data_2n2a_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 2n2a _Structure_validation_residue.Date_analyzed 2016-10-08 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' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.768 0.318 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -97.26 158.53 15.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -64.4 -69.46 0.28 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 6.5 mmm180 -107.53 -72.96 0.7 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 72.22 30.93 1.99 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.121 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 m -89.51 112.48 51.89 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.624 0.726 . . . . 0.0 110.862 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.81 -46.65 1.13 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.67 2.246 . . . . 0.0 112.321 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.402 ' O ' HG13 ' A' ' 12' ' ' ILE . 6.1 mt -59.67 -54.68 43.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.924 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 31.1 p -53.18 -31.53 43.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 59.1 m -73.15 -34.19 65.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.851 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 41.4 mm -76.79 -40.09 31.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.098 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 8' ' ' LEU . 14.6 mt -59.74 -41.72 86.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.5 p -69.35 -36.3 76.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.821 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.49 -43.25 66.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.103 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 97.0 t -60.07 -54.25 37.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.054 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.428 HG22 HG13 ' B' ' 116' ' ' VAL . 57.6 t -51.46 -54.94 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.085 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -44.6 -53.9 6.84 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.488 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 36.1 mt -68.05 -33.43 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.866 0.365 . . . . 0.0 111.066 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 31.0 mt -59.52 -51.04 71.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.987 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.4 mt -60.2 -41.78 93.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 44.3 t -67.66 -27.46 38.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.086 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 40.0 t -74.96 -54.9 13.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.188 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.4 m -49.15 -48.46 17.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.097 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.47 HD23 ' HA ' ' A' ' 24' ' ' LEU . 13.1 mt -58.64 -51.66 68.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.94 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -46.43 -39.06 9.71 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.472 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 94.4 t -70.17 -39.17 76.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.833 0.349 . . . . 0.0 111.08 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.5 t -68.71 -42.6 83.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.088 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -63.72 -48.07 78.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.503 -179.968 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 121.026 0.441 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 53.3 m -51.58 -52.36 47.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.14 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 22.2 mtt -59.44 -46.96 87.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.05 -40.79 61.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.938 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.5 tpp180 -81.26 -23.35 38.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.787 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 17.0 mt -68.62 -26.58 65.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -58.3 -22.93 54.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -80.36 -17.18 52.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -64.89 -32.02 73.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 36.2 p -51.35 -29.93 16.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.199 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -54.45 -27.42 37.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -72.49 -30.67 64.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.958 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.5 m -113.35 23.6 4.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.1 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -124.57 69.09 53.19 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.631 0.729 . . . . 0.0 110.911 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--O 1.232 0.203 0 C-N-CA 122.706 2.271 . . . . 0.0 112.321 -179.958 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 116' ' ' VAL . . . . . 0.428 HG13 HG22 ' A' ' 16' ' ' VAL . 57.5 t . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.84 0.353 . . . . 0.0 111.107 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -43.75 -54.34 5.87 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.437 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 31.7 mt -67.66 -33.62 63.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.915 0.388 . . . . 0.0 111.165 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 33.4 mt -59.24 -50.72 72.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.95 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 1.4 mt -60.25 -42.16 94.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.952 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 42.4 t -68.22 -27.16 36.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.18 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 122' ' ' VAL . . . . . . . . . . . . . 39.8 t -76.76 -53.82 14.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.195 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 123' ' ' VAL . . . . . . . . . . . . . 6.3 m -49.48 -48.45 19.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.111 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . 0.401 HD22 HD23 ' A' ' 24' ' ' LEU . 13.3 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 141' ' ' LYS . . . . . . . . . . . . . 32.0 mmtm . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.795 0.331 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 142' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -51.26 -31.42 20.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 143' ' ' THR . . . . . . . . . . . . . 57.7 m -52.07 -54.57 28.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.152 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 23.1 mtt -58.17 -47.67 82.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.2 -40.81 62.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.93 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 146' ' ' ARG . . . . . . . . . . . . . 15.5 tpp180 -81.14 -23.25 38.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 147' ' ' LEU . . . . . . . . . . . . . 17.2 mt -68.55 -26.87 65.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 148' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -58.2 -22.92 53.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.943 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -80.66 -16.79 53.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -65.05 -31.78 73.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 36.8 p -51.19 -30.0 15.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.114 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -54.35 -27.45 36.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.945 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -72.69 -30.87 64.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.915 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 3.5 m -113.2 24.0 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.146 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 155' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 . . . . . 0 C--N 1.33 -0.246 0 CA-C-O 121.629 0.728 . . . . 0.0 110.906 179.977 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.809 0.338 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -146.87 -179.43 6.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.839 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -117.32 8.36 13.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.931 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 72.9 mtt-85 -95.0 46.09 1.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.6 37.31 1.48 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.103 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 m -76.77 114.64 40.95 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.667 0.746 . . . . 0.0 110.861 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -44.69 1.9 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.634 2.223 . . . . 0.0 112.348 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 mt -61.57 -54.61 40.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 34.6 p -52.69 -33.04 45.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.118 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.3 m -70.94 -34.23 71.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.871 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 37.9 mm -74.95 -38.03 42.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.139 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 25.8 mt -59.89 -57.9 9.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.085 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 55.8 p -57.49 -32.84 67.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.833 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.17 -41.76 66.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.083 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 77.9 t -64.14 -55.7 20.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.156 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.476 ' CG1' HD13 ' A' ' 20' ' ' LEU . 4.7 t -49.65 -50.67 17.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.099 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -50.18 -56.61 12.01 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.494 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 60.5 mt -60.81 -44.96 98.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.843 0.354 . . . . 0.0 111.102 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.3 mt -52.55 -52.07 56.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.476 HD13 ' CG1' ' A' ' 16' ' ' VAL . 0.9 OUTLIER -54.0 -41.55 68.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 179.875 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 99.8 t -66.11 -27.3 40.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 99.9 t -75.71 -55.42 11.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.175 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.501 HG22 ' N ' ' A' ' 24' ' ' LEU . 16.8 m -48.29 -41.92 11.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.121 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.501 ' N ' HG22 ' A' ' 23' ' ' VAL . 12.6 mt -64.77 -52.17 58.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.937 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -46.3 -37.3 8.07 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.464 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 84.9 t -73.7 -38.56 51.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.851 0.358 . . . . 0.0 111.134 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.9 t -69.2 -41.01 81.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.168 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -63.73 -49.2 73.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.839 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.483 -179.976 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 12.4 t80 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.954 0.407 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 98.9 m -51.75 -48.7 63.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.14 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 23.8 mtt -82.23 -43.86 17.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.23 -35.22 59.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 25.5 tpt180 -74.78 -23.64 58.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.3 mt -80.43 -21.6 41.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -58.54 -22.75 56.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -76.92 -8.58 57.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.905 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -81.71 -29.87 32.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 40.6 p -52.09 -28.76 18.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.127 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -56.34 -24.96 47.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.937 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -73.51 -22.74 60.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.937 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 1.6 m -115.7 13.2 7.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.55 161.75 22.07 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.64 0.733 . . . . 0.0 110.929 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo . . . . . 0 C--N 1.341 0.178 0 C-N-CA 122.713 2.275 . . . . 0.0 112.298 -179.931 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 116' ' ' VAL . . . . . 0.486 ' CG1' HD13 ' B' ' 120' ' ' LEU . 3.8 t . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.9 0.381 . . . . 0.0 111.147 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -49.87 -57.43 9.8 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.488 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 62.1 mt -60.18 -45.95 95.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.856 0.36 . . . . 0.0 111.131 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 18.2 mt -51.58 -51.45 55.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 120' ' ' LEU . . . . . 0.486 HD13 ' CG1' ' B' ' 116' ' ' VAL . 0.8 OUTLIER -54.97 -41.76 71.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.936 179.877 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 96.5 t -66.58 -26.91 38.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 122' ' ' VAL . . . . . . . . . . . . . 97.6 t -76.75 -54.8 12.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.12 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 123' ' ' VAL . . . . . 0.512 HG22 ' N ' ' B' ' 124' ' ' LEU . 19.0 m -48.73 -41.85 12.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.098 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . 0.512 ' N ' HG22 ' B' ' 123' ' ' VAL . 13.1 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 141' ' ' LYS . . . . . . . . . . . . . 16.8 ttmt . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.796 0.331 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 142' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -107.81 1.03 22.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 143' ' ' THR . . . . . . . . . . . . . 99.0 m -51.94 -56.08 16.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.153 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 23.5 mtt -85.53 -40.22 16.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.53 -35.74 61.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 146' ' ' ARG . . . . . . . . . . . . . 25.3 tpt180 -74.52 -23.52 58.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 147' ' ' LEU . . . . . . . . . . . . . 12.3 mt -79.71 -21.73 44.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 148' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -58.86 -22.85 59.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.945 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -76.89 -8.88 58.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.938 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -80.62 -30.5 36.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 40.4 p -51.8 -29.13 17.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.131 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -55.95 -26.61 48.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -73.73 -25.41 60.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.918 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 2.7 m -116.7 21.41 6.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.102 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 155' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 . . . . . 0 C--N 1.33 -0.257 0 CA-C-O 121.599 0.714 . . . . 0.0 110.877 -179.965 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.734 0.302 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -160.14 163.91 33.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.913 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -94.81 -178.14 4.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.97 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 13.6 mtp180 56.04 58.47 4.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.82 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -134.01 32.21 3.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.17 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -90.43 114.22 60.34 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-O 121.673 0.749 . . . . 0.0 110.85 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -44.44 2.07 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.701 2.267 . . . . 0.0 112.281 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.8 mt -59.42 -55.06 39.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 65.3 p -55.11 -29.15 57.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.182 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 56.5 m -73.95 -32.52 63.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.844 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 41.7 mm -79.13 -38.42 20.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.083 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 19.5 mt -61.21 -44.76 98.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.156 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 88.4 p -69.26 -32.47 71.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.18 -42.56 62.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.085 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 82.8 t -61.82 -61.68 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.127 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 61.6 t -47.76 -46.77 11.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.149 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -49.56 -57.92 8.86 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.504 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 42.8 mt -61.99 -35.24 67.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.902 0.382 . . . . 0.0 111.156 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 62.0 mt -59.46 -54.28 48.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.967 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.99 -38.6 65.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.963 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 67.7 t -69.05 -38.93 78.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.07 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 96.0 t -68.15 -54.67 20.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.152 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.442 HG23 ' N ' ' A' ' 24' ' ' LEU . 18.0 m -47.77 -44.51 10.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.058 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.466 HD22 ' HA ' ' A' ' 24' ' ' LEU . 12.5 mt -58.36 -59.23 5.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.883 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -43.86 -36.63 3.75 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.432 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 93.1 t -74.41 -42.37 49.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.829 0.347 . . . . 0.0 111.122 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 16.4 t -62.45 -39.11 83.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.161 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -67.24 -55.26 14.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.898 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.245 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.448 -179.905 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.891 0.377 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 78.7 m -54.55 -68.13 0.21 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.179 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 19.9 mmt -52.0 -52.33 51.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.864 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.36 -36.5 53.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.934 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.6 tpt85 -81.21 -23.58 38.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 35.9 mt -71.82 -16.72 62.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -57.64 -22.85 47.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.933 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -83.3 -19.12 36.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.944 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -73.54 -30.49 63.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 43.8 p -53.83 -27.12 27.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.183 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -54.98 -26.33 35.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -73.7 -28.88 61.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.0 m -114.74 21.37 6.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.159 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -113.71 74.06 2.32 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.607 0.718 . . . . 0.0 110.85 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo . . . . . 0 C--O 1.232 0.189 0 C-N-CA 122.674 2.249 . . . . 0.0 112.328 -179.988 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 67.0 t . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.783 0.325 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -49.62 -58.03 8.79 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.453 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 44.2 mt -61.69 -35.29 66.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.915 0.388 . . . . 0.0 111.18 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 66.0 mt -59.37 -54.83 42.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.882 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.3 -39.0 63.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.946 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 70.9 t -68.39 -38.22 79.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.063 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 122' ' ' VAL . . . . . . . . . . . . . 99.7 t -68.28 -55.68 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.133 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 123' ' ' VAL . . . . . 0.431 HG23 ' N ' ' B' ' 124' ' ' LEU . 16.2 m -46.89 -44.5 7.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.156 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . 0.439 HD22 ' HA ' ' B' ' 124' ' ' LEU . 12.5 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.939 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 141' ' ' LYS . . . . . . . . . . . . . 19.4 mtpt . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.732 0.301 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 142' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -76.92 -5.23 47.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.002 0.43 . . . . 0.0 110.962 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 143' ' ' THR . . . . . . . . . . . . . 88.2 m -54.9 -68.56 0.18 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.155 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 20.1 mmt -52.5 -51.98 56.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.51 -36.44 55.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.821 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 146' ' ' ARG . . . . . . . . . . . . . 13.9 tpt85 -81.24 -23.62 37.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 147' ' ' LEU . . . . . . . . . . . . . 37.4 mt -71.7 -16.68 62.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 148' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -57.68 -22.85 48.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.947 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -83.13 -18.75 38.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -73.23 -30.48 63.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 44.7 p -53.42 -27.55 25.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.131 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -55.0 -26.6 37.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -73.89 -28.96 61.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.928 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 3.1 m -114.66 22.3 5.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.079 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 155' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 121.586 0.708 . . . . 0.0 110.888 -179.98 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.099 0 CA-C-O 120.781 0.324 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -158.27 167.05 30.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 8.3 tp60 -99.05 171.92 7.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 16.4 mmt180 63.66 61.16 1.02 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.946 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -135.91 33.26 2.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.125 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.1 m -90.72 114.4 61.17 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.611 0.72 . . . . 0.0 110.941 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 -45.66 1.53 Allowed 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.715 2.277 . . . . 0.0 112.361 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.7 mp -59.56 -55.17 37.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.898 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 43.4 p -53.94 -30.44 46.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.178 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 57.2 m -73.68 -31.85 63.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.857 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 39.6 mm -79.96 -38.86 19.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.138 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 21.9 mt -60.62 -44.59 97.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.184 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.7 m -70.14 -32.59 70.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.835 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.98 -42.41 63.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.075 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 75.5 t -62.17 -61.75 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 64.3 t -47.67 -46.3 11.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.16 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -50.13 -57.96 9.39 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.451 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 43.8 mt -62.16 -35.25 67.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.862 0.363 . . . . 0.0 111.108 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 63.1 mt -59.08 -54.47 46.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.16 -39.03 66.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 63.9 t -68.97 -38.09 78.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.077 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 93.1 t -68.6 -55.12 17.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.436 HG21 ' N ' ' A' ' 24' ' ' LEU . 18.0 m -47.56 -44.23 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.181 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.447 ' HA ' HD23 ' A' ' 24' ' ' LEU . 12.7 mt -58.67 -58.54 8.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -44.42 -36.2 4.25 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.449 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 84.4 t -74.96 -40.78 45.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.829 0.347 . . . . 0.0 111.139 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 17.6 t -64.31 -38.64 83.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -67.99 -52.28 37.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.219 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.478 -179.98 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.987 0.422 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 96.2 m -52.3 -47.98 65.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.128 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 11.9 mtt -62.81 -43.28 99.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.825 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.49 -39.27 57.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.85 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 20.0 tpt180 -81.73 -23.64 36.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.835 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 19.1 mt -69.28 -24.11 63.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -58.48 -22.89 56.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.007 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -80.6 -16.28 54.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.959 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -67.79 -30.34 69.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 24.0 p -51.21 -30.43 17.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.148 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -54.18 -31.44 52.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -67.52 -30.21 69.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.927 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.3 m -114.1 21.59 6.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.155 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -123.47 68.19 39.52 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.696 0.76 . . . . 0.0 110.89 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.232 0.2 0 C-N-CA 122.644 2.229 . . . . 0.0 112.391 179.982 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 66.3 t . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.862 0.363 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -50.22 -58.08 9.31 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.487 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 43.7 mt -61.76 -35.44 67.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.894 0.378 . . . . 0.0 111.105 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 64.6 mt -58.97 -54.77 43.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.64 -39.23 64.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 66.0 t -68.53 -38.32 78.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.108 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 122' ' ' VAL . . . . . . . . . . . . . 86.5 t -68.34 -55.55 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.189 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 123' ' ' VAL . . . . . 0.431 HG21 ' N ' ' B' ' 124' ' ' LEU . 17.2 m -47.03 -44.42 7.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.122 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . 0.431 ' HA ' HD23 ' B' ' 124' ' ' LEU . 12.5 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.949 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 141' ' ' LYS . . . . . . . . . . . . . 34.6 mmtm . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.736 0.303 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 142' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -80.9 -26.11 37.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 143' ' ' THR . . . . . . . . . . . . . 98.9 m -52.22 -48.75 64.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.141 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 12.3 mtt -63.47 -44.15 95.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.835 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.02 -39.06 58.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.855 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 146' ' ' ARG . . . . . . . . . . . . . 19.8 tpt180 -81.61 -23.62 36.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 147' ' ' LEU . . . . . . . . . . . . . 19.5 mt -69.03 -24.08 64.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 148' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -58.47 -22.9 56.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -80.46 -16.31 54.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -67.82 -30.15 69.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.832 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 23.9 p -51.02 -30.52 15.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.149 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -54.45 -31.43 55.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.846 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -67.6 -29.73 69.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 3.2 m -114.24 21.22 6.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.149 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 155' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 . . . . . 0 C--N 1.33 -0.279 0 CA-C-O 121.678 0.752 . . . . 0.0 110.851 -179.948 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.769 0.319 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -148.67 175.49 11.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.874 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -112.29 -175.57 2.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 13.0 ptt-85 38.28 54.14 1.75 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -122.87 25.65 8.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.108 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 m -83.7 113.89 50.17 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.648 0.737 . . . . 0.0 110.902 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -40.67 4.97 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.691 2.26 . . . . 0.0 112.303 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.405 ' O ' HG13 ' A' ' 12' ' ' ILE . 2.2 mm? -63.67 -55.25 24.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.952 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 68.8 p -53.68 -31.01 46.09 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.174 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 49.6 m -72.86 -33.53 66.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 37.5 mm -79.87 -33.75 14.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.139 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 8' ' ' LEU . 24.7 mt -63.69 -43.34 98.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.089 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.1 p -72.83 -30.12 63.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.798 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.81 -45.72 34.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.143 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 78.4 t -60.47 -62.82 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.078 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 56.3 t -48.87 -47.07 16.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.124 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -47.15 -56.55 7.76 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.528 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 39.7 mt -65.34 -34.59 71.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.878 0.37 . . . . 0.0 111.091 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.4 mt -57.92 -52.33 65.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.953 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.18 -43.03 87.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 47.9 t -67.15 -26.88 37.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.115 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 43.3 t -75.66 -54.32 14.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.139 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.2 m -49.51 -46.41 20.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.156 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.42 HD22 ' HA ' ' A' ' 24' ' ' LEU . 13.2 mt -61.65 -52.28 65.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -45.66 -38.14 7.28 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.499 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 94.6 t -72.04 -40.21 67.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.879 0.371 . . . . 0.0 111.137 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.8 t -67.39 -43.1 87.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -61.23 -50.78 71.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.902 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.244 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.495 -179.985 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.978 0.418 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 65.7 m -55.3 -74.38 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.078 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 13.1 mmm -52.95 -48.66 67.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.874 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.66 -32.58 52.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.0 tpp180 -82.16 -23.55 35.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 51.2 mt -75.06 -17.68 60.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -58.41 -22.76 55.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.98 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -80.4 -15.92 55.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.972 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -77.43 -22.41 51.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 45.1 p -52.13 -29.04 20.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -54.95 -26.9 39.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -74.18 -28.9 61.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.905 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.0 m -114.5 21.44 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.07 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -84.24 162.15 52.46 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.577 0.703 . . . . 0.0 110.912 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.232 0.223 0 C-N-CA 122.694 2.263 . . . . 0.0 112.332 179.999 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 57.9 t . . . . . 0 N--CA 1.458 -0.048 0 CA-C-O 120.87 0.367 . . . . 0.0 111.092 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -47.14 -56.29 7.99 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.462 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 41.5 mt -65.2 -34.6 71.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.835 0.35 . . . . 0.0 111.171 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 12.5 mt -57.95 -52.99 63.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.913 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.53 -43.01 84.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 47.9 t -66.44 -27.96 41.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 122' ' ' VAL . . . . . . . . . . . . . 49.0 t -74.05 -55.51 12.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.15 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 123' ' ' VAL . . . . . . . . . . . . . 4.4 m -48.57 -46.36 14.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.117 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . 0.43 HD22 ' HA ' ' B' ' 124' ' ' LEU . 12.4 mt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.024 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 141' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.83 0.347 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 142' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -58.55 -24.98 61.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.894 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 143' ' ' THR . . . . . . . . . . . . . 66.9 m -52.0 -65.74 0.5 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.079 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 8.8 mmm -49.84 -49.26 49.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.82 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -52.9 -35.2 57.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.818 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 146' ' ' ARG . . . . . . . . . . . . . 15.1 tpp180 -82.3 -23.4 35.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.868 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 147' ' ' LEU . . . . . . . . . . . . . 52.3 mt -72.77 -16.55 61.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.96 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 148' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -57.73 -22.9 49.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -80.67 -16.86 52.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -78.26 -21.23 50.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 45.8 p -51.38 -29.86 17.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.172 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -55.07 -27.05 41.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -74.43 -28.68 61.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 3.0 m -114.3 22.06 5.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.131 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 155' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 . . . . . 0 C--N 1.33 -0.257 0 CA-C-O 121.605 0.716 . . . . 0.0 110.861 -179.93 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.742 0.305 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -162.23 163.73 28.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.906 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -95.89 -175.57 3.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.97 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.5 mtp-105 57.74 48.56 13.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.783 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -129.07 29.17 5.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.07 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.8 m -87.11 114.3 57.8 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.654 0.74 . . . . 0.0 110.779 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.79 -43.01 2.88 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.743 2.296 . . . . 0.0 112.261 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.92 -55.06 33.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 48.7 p -54.92 -27.44 43.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.059 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 68.6 m -75.01 -34.56 61.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.863 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 42.7 mm -77.05 -40.74 30.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.136 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 17.8 mt -59.96 -44.59 94.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.174 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.2 m -67.08 -33.85 76.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.817 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.97 -42.62 63.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.144 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 97.6 t -61.19 -55.32 25.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.091 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 60.8 t -51.64 -52.39 21.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.172 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -46.19 -53.99 8.8 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.49 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 39.0 mt -67.77 -34.01 65.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.915 0.388 . . . . 0.0 111.17 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 33.5 mt -58.91 -51.05 71.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.3 mt -60.16 -41.72 93.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.937 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 46.0 t -67.88 -27.69 38.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.1 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 42.5 t -74.92 -54.93 13.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.099 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.0 m -49.22 -47.83 18.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.223 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.468 HD23 ' HA ' ' A' ' 24' ' ' LEU . 13.3 mt -59.53 -51.38 70.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.933 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -46.41 -39.12 9.7 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.525 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 90.9 t -70.66 -39.21 75.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.891 0.377 . . . . 0.0 111.137 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.2 t -68.59 -43.54 83.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.214 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -61.37 -51.96 66.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.486 -179.955 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.946 0.403 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 96.5 m -55.72 -59.3 5.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.169 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -51.52 -40.82 60.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.19 -33.75 54.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.813 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 28.4 tpt180 -82.32 -33.63 28.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.22 -36.5 83.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.946 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -56.91 -24.51 52.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -84.45 -21.66 30.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -73.88 -24.18 59.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 45.6 p -51.9 -29.02 18.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.178 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -54.97 -26.69 38.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -74.7 -28.91 61.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.947 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.1 m -114.63 23.11 5.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.152 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -84.93 162.13 50.69 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.605 0.717 . . . . 0.0 110.933 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.233 0.239 0 C-N-CA 122.659 2.239 . . . . 0.0 112.37 -179.972 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 57.5 t . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.872 0.368 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -44.95 -54.89 6.63 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.489 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 36.1 mt -66.62 -34.61 71.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.899 0.381 . . . . 0.0 111.118 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 35.5 mt -58.65 -51.28 70.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 1.2 mt -59.2 -41.98 89.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 43.3 t -68.26 -27.19 36.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.077 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 122' ' ' VAL . . . . . . . . . . . . . 47.1 t -76.61 -53.58 14.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.085 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 123' ' ' VAL . . . . . . . . . . . . . 6.0 m -49.75 -47.62 21.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.174 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' B' ' 124' ' ' LEU . 13.3 mt . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 141' ' ' LYS . . . . . . . . . . . . . 19.7 mttt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.818 0.342 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 142' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -82.86 -15.22 52.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.943 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 143' ' ' THR . . . . . . . . . . . . . 98.8 m -53.56 -62.06 1.9 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.199 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -50.94 -41.28 58.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.842 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.73 -33.63 56.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.808 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 146' ' ' ARG . . . . . . . . . . . . . 28.3 tpt180 -82.27 -34.05 28.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 147' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.11 -37.03 83.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 148' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -56.82 -25.33 55.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.848 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -84.56 -21.83 30.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.901 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -73.88 -24.25 59.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.96 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 45.4 p -51.61 -29.75 18.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -55.27 -26.64 41.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.879 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -74.71 -28.38 60.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 2.9 m -114.42 23.05 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.083 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 155' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 . . . . . 0 C--N 1.33 -0.273 0 CA-C-O 121.667 0.746 . . . . 0.0 110.89 -179.983 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.747 0.308 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -159.36 170.01 22.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -100.92 -179.76 4.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.943 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.1 mtt180 59.25 53.64 5.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.821 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -132.79 31.4 3.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.107 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m -90.16 114.71 61.94 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.699 0.761 . . . . 0.0 110.885 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -43.9 2.4 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.699 2.266 . . . . 0.0 112.275 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.1 mt -62.56 -54.69 35.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.885 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 31.1 p -53.81 -28.83 37.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.096 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 70.0 m -74.0 -34.1 64.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.867 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 41.9 mm -76.82 -40.95 32.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.095 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 21.4 mt -59.38 -45.24 93.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.112 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 13.6 t -66.53 -34.49 78.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.831 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.73 -42.64 63.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.121 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 94.7 t -60.48 -55.84 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.088 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 60.3 t -51.58 -52.68 19.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.123 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -45.18 -54.53 7.09 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.526 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 34.9 mt -67.86 -33.97 64.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.84 0.352 . . . . 0.0 111.068 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 33.6 mt -58.61 -50.64 73.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.3 mt -60.78 -42.2 97.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.882 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 43.7 t -68.56 -27.52 36.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.135 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 36.8 t -75.7 -53.09 16.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.15 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.5 m -50.7 -47.53 28.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.14 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.409 HD22 ' HA ' ' A' ' 24' ' ' LEU . 13.3 mt -61.97 -52.25 64.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -45.56 -38.64 7.35 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.435 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 87.8 t -71.61 -40.47 71.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.859 0.361 . . . . 0.0 111.123 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.1 t -67.57 -44.15 86.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.052 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -60.38 -51.55 69.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.262 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.442 -179.987 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.989 0.423 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 75.1 m -53.36 -44.26 68.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.095 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 9.8 mmt -85.42 -49.77 7.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.818 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.75 -30.41 22.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.1 tpp180 -82.01 -31.23 31.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.834 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.8 mt -67.75 -20.06 65.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -57.81 -23.34 52.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -77.36 -18.96 56.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -73.01 -24.08 60.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.858 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 76.2 p -54.26 -28.29 40.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.16 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -60.74 -19.1 58.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -88.5 -24.63 22.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.952 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.6 m -116.93 25.35 4.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.11 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.422 ' HB2' ' HD2' ' A' ' 56' ' ' PRO . 3.6 pt-20 -146.64 160.04 42.48 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.647 0.736 . . . . 0.0 110.834 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.422 ' HD2' ' HB2' ' A' ' 55' ' ' GLU . 54.6 Cg_endo . . . . . 0 C--O 1.232 0.213 0 C-N-CA 122.688 2.259 . . . . 0.0 112.381 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 59.5 t . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.905 0.383 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -45.42 -54.64 7.32 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.441 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 35.2 mt -67.65 -33.86 64.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.934 0.397 . . . . 0.0 111.122 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 33.8 mt -58.69 -50.78 72.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 1.3 mt -60.49 -42.32 96.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.949 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 43.6 t -68.31 -27.58 37.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.086 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 122' ' ' VAL . . . . . . . . . . . . . 37.3 t -75.45 -53.37 16.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.156 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 123' ' ' VAL . . . . . . . . . . . . . 5.9 m -50.55 -47.5 27.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.15 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . 0.474 HD22 ' HA ' ' B' ' 124' ' ' LEU . 13.3 mt . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.934 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 141' ' ' LYS . . . . . . . . . . . . . 21.7 mtpt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.821 0.344 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 142' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -62.91 -23.55 67.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 143' ' ' THR . . . . . . . . . . . . . 51.7 m -53.09 -38.95 63.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.202 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 6.7 mmt -78.12 -51.41 10.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.865 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.24 -30.23 26.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 146' ' ' ARG . . . . . . . . . . . . . 15.9 tpp180 -82.16 -31.2 30.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 147' ' ' LEU . . . . . . . . . . . . . 15.0 mt -67.24 -18.44 65.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 148' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -58.02 -22.88 51.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.977 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -77.22 -18.8 57.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.953 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -75.04 -22.7 58.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 82.4 p -54.58 -27.59 40.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.18 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -63.11 -17.9 62.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.868 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -90.7 -24.1 20.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.87 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 2.3 m -116.12 21.11 6.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.153 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 155' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 121.588 0.709 . . . . 0.0 110.87 -179.976 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.729 0.3 . . . . 0.0 111.08 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -123.69 -167.47 1.63 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.827 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.31 -65.54 1.18 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.94 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 18.5 ptt85 -106.13 106.99 17.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.99 35.73 1.94 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.047 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 m -87.38 114.28 57.95 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.675 0.75 . . . . 0.0 110.869 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -41.01 4.57 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.658 2.239 . . . . 0.0 112.371 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -64.74 -54.48 30.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 35.1 p -54.36 -28.19 41.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.109 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 65.5 m -74.0 -35.32 64.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.922 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 44.0 mm -76.66 -40.34 32.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.151 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 17.3 mt -59.7 -42.98 90.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.095 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 63.6 m -68.05 -35.92 79.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.66 -43.75 65.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.14 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 96.8 t -59.64 -54.12 38.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.141 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 61.3 t -51.78 -55.05 10.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.091 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -43.99 -54.69 5.95 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.451 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 33.0 mt -67.52 -34.13 66.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.881 0.372 . . . . 0.0 111.138 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 31.6 mt -58.57 -50.83 72.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.873 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.4 mt -60.27 -42.45 95.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.998 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 59.9 t -68.22 -27.22 36.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.193 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 39.1 t -76.17 -53.75 14.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.7 m -49.85 -48.18 22.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.055 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' A' ' 24' ' ' LEU . 12.6 mt -59.88 -52.33 65.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -45.95 -39.51 8.93 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.536 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 96.3 t -69.73 -39.97 78.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.838 0.351 . . . . 0.0 111.076 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.7 t -67.42 -43.7 87.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.153 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -61.62 -52.29 64.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.934 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.452 179.987 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.935 0.397 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 96.9 m -53.79 -58.35 7.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.066 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 6.7 mtt -58.99 -38.31 78.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -54.34 -36.34 63.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.86 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.8 tpp180 -74.12 -25.74 59.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.81 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -76.17 -25.81 55.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -62.07 -25.25 67.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.954 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -84.18 -19.9 33.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 40.5 mm-40 -75.29 -22.58 57.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 40.1 p -51.43 -29.71 16.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.153 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -54.18 -27.71 35.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.891 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -72.87 -31.38 64.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.898 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.5 m -112.91 23.95 4.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -86.41 161.99 46.96 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.657 0.741 . . . . 0.0 110.84 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.196 0 C-N-CA 122.747 2.298 . . . . 0.0 112.324 -179.957 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 61.6 t . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.92 0.39 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -44.13 -54.36 6.21 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.454 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 33.3 mt -67.93 -33.81 63.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.898 0.38 . . . . 0.0 111.136 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 30.5 mt -58.87 -50.6 73.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.882 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 1.3 mt -60.58 -42.49 96.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 58.3 t -68.0 -27.07 36.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.157 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 122' ' ' VAL . . . . . . . . . . . . . 38.4 t -75.88 -54.39 13.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.103 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 123' ' ' VAL . . . . . . . . . . . . . 5.2 m -49.53 -48.41 19.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . 0.452 HD23 ' HA ' ' B' ' 124' ' ' LEU . 12.3 mt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 141' ' ' LYS . . . . . . . . . . . . . 14.7 tttt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.771 0.32 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 142' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -92.27 14.4 16.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.893 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 143' ' ' THR . . . . . . . . . . . . . 97.5 m -56.27 -60.95 2.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.173 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 7.1 mtt -60.51 -37.52 81.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.921 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -54.31 -36.14 63.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 146' ' ' ARG . . . . . . . . . . . . . 16.9 tpp180 -74.4 -25.72 59.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 147' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -75.8 -25.4 56.35 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 148' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -62.3 -25.43 67.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.96 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 22.1 mm-40 -84.23 -19.63 33.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.985 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -75.39 -22.65 57.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 38.9 p -51.09 -30.02 14.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.187 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -54.4 -27.76 38.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.815 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -72.84 -31.04 64.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 3.5 m -112.97 24.21 4.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 155' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 . . . . . 0 C--N 1.329 -0.311 0 CA-C-O 121.66 0.743 . . . . 0.0 110.897 -179.978 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.059 0 CA-C-O 120.754 0.311 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -150.91 163.94 37.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.841 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -84.31 -175.22 5.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.972 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 18.3 mmt85 56.24 57.41 5.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.86 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -134.43 32.36 3.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.057 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.5 t -93.75 114.25 62.56 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.694 0.759 . . . . 0.0 110.847 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -44.38 2.14 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.741 2.294 . . . . 0.0 112.335 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.4 mt -58.63 -55.33 36.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 70.6 p -55.55 -29.03 58.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.174 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 54.7 m -74.03 -32.64 63.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.918 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 41.5 mm -79.41 -38.6 19.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.166 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 18.6 mt -60.97 -44.66 98.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.108 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 83.1 p -69.64 -32.5 71.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.99 -42.55 63.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.121 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 83.8 t -61.92 -62.2 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 62.4 t -47.26 -46.57 9.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.11 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -49.97 -58.09 9.05 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.502 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 41.3 mt -62.01 -34.88 65.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.819 0.342 . . . . 0.0 111.123 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 63.5 mt -59.63 -54.39 46.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.925 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.99 -38.57 65.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.955 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 64.7 t -68.93 -39.24 79.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.096 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 92.4 t -68.08 -55.03 18.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.064 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.449 HG23 ' N ' ' A' ' 24' ' ' LEU . 19.1 m -47.36 -44.28 8.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.153 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.467 HD21 ' HA ' ' A' ' 24' ' ' LEU . 12.5 mt -58.61 -58.93 6.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -44.0 -36.48 3.86 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.476 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 86.3 t -74.56 -42.27 48.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.836 0.35 . . . . 0.0 111.126 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 16.3 t -62.77 -38.64 82.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.179 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -67.66 -55.43 13.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.413 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.509 -179.992 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.977 0.418 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 98.0 m -87.18 -60.99 1.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.086 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 8.1 mtt -59.35 -31.83 69.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.95 -39.48 59.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.941 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.33 -29.52 34.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.88 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -69.76 -41.45 75.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.946 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -60.02 -22.75 63.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.962 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -82.62 -15.91 50.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -73.47 -24.3 60.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 24.1 p -51.09 -30.37 15.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.093 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -53.57 -33.69 55.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -65.12 -29.92 70.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.931 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.2 m -113.83 20.51 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.097 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.412 ' HB2' ' HD2' ' A' ' 56' ' ' PRO . 4.0 pt-20 -56.38 160.45 5.14 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.714 0.768 . . . . 0.0 110.793 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.412 ' HD2' ' HB2' ' A' ' 55' ' ' GLU . 53.6 Cg_endo . . . . . 0 C--N 1.342 0.206 0 C-N-CA 122.664 2.243 . . . . 0.0 112.29 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 63.2 t . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.907 0.384 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -49.94 -58.12 8.99 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.45 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 41.5 mt -61.8 -34.55 63.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.935 0.397 . . . . 0.0 111.081 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 64.4 mt -60.07 -55.09 38.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.926 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.26 -38.38 62.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 65.8 t -68.53 -39.23 80.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 122' ' ' VAL . . . . . . . . . . . . . 91.8 t -67.83 -55.48 16.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.175 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 123' ' ' VAL . . . . . 0.433 HG23 ' N ' ' B' ' 124' ' ' LEU . 16.6 m -46.8 -44.78 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.152 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . 0.444 HD21 ' HA ' ' B' ' 124' ' ' LEU . 12.5 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 141' ' ' LYS . . . . . . . . . . . . . 54.9 tttt . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.776 0.322 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 142' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -109.54 8.95 25.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 143' ' ' THR . . . . . . . . . . . . . 85.0 m -81.36 -59.57 2.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.133 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 6.3 mtt -57.11 -32.5 66.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.884 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.6 -38.94 61.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 146' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.17 -30.01 31.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 147' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -68.59 -41.39 79.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 148' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -60.51 -22.81 63.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.826 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -82.39 -15.81 51.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.877 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -73.19 -24.52 60.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.808 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 25.4 p -51.6 -29.48 17.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.139 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -53.15 -33.75 53.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -65.12 -31.01 71.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.913 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 3.5 m -113.7 22.21 5.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.163 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 155' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 . . . . . 0 C--N 1.329 -0.294 0 CA-C-O 121.592 0.711 . . . . 0.0 110.931 -179.958 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.769 0.318 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -149.94 164.46 35.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -87.03 -172.66 4.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? 52.64 52.34 14.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -133.27 31.51 3.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.127 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.4 m -89.84 113.91 58.74 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.742 0.782 . . . . 0.0 110.899 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -44.8 1.87 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.669 2.246 . . . . 0.0 112.364 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -61.24 -54.99 37.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 34.6 p -52.71 -32.58 43.62 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.183 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 49.8 m -71.37 -33.66 69.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.813 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 38.1 mm -75.59 -37.5 36.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.118 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 31.0 mt -60.6 -57.98 9.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.07 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 17.2 t -57.95 -31.24 66.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.855 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.45 -42.46 61.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.149 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 79.3 t -63.27 -57.62 11.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.095 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.484 ' CG1' HD11 ' A' ' 20' ' ' LEU . 3.5 t -49.49 -49.99 17.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.131 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -49.0 -56.79 9.56 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.536 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 59.7 mt -60.4 -46.7 94.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.793 0.33 . . . . 0.0 111.08 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 80.1 mt -50.81 -51.6 49.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.484 HD11 ' CG1' ' A' ' 16' ' ' VAL . 0.9 OUTLIER -54.96 -41.98 71.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 179.912 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 96.5 t -66.71 -26.08 36.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.125 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 94.4 t -75.26 -56.51 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.174 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.49 HG21 ' N ' ' A' ' 24' ' ' LEU . 17.9 m -48.9 -43.57 14.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.16 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.49 ' N ' HG21 ' A' ' 23' ' ' VAL . 13.3 mt -64.19 -51.79 62.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.849 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -45.76 -37.27 6.98 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.522 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 89.8 t -74.1 -39.74 50.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.917 0.389 . . . . 0.0 111.149 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.9 t -68.4 -41.63 83.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.161 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -63.51 -47.18 82.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.857 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.466 -179.968 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.941 0.401 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 98.0 m -53.2 -53.17 54.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.1 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.04 -46.59 87.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -51.94 -38.82 57.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 25.3 tpt180 -82.18 -23.32 35.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 20.1 mt -69.35 -24.43 63.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.972 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -58.15 -22.89 53.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -80.48 -17.69 50.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -65.74 -32.25 73.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 25.6 p -51.35 -30.03 17.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.181 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -54.57 -27.04 36.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -72.17 -30.46 65.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.5 m -113.77 21.48 6.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.197 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.416 ' HB2' ' HD2' ' A' ' 56' ' ' PRO . 3.2 pt-20 -56.45 160.3 5.44 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.659 0.742 . . . . 0.0 110.883 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.416 ' HD2' ' HB2' ' A' ' 55' ' ' GLU . 53.1 Cg_endo . . . . . 0 C--N 1.342 0.196 0 C-N-CA 122.671 2.247 . . . . 0.0 112.356 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 116' ' ' VAL . . . . . 0.489 ' CG1' HD11 ' B' ' 120' ' ' LEU . 4.7 t . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.856 0.36 . . . . 0.0 111.156 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -48.93 -56.56 9.83 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.487 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 56.9 mt -61.09 -46.27 96.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.872 0.367 . . . . 0.0 111.119 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 79.4 mt -51.02 -51.23 55.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.025 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 120' ' ' LEU . . . . . 0.489 HD11 ' CG1' ' B' ' 116' ' ' VAL . 0.8 OUTLIER -54.47 -42.74 71.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.894 179.905 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 98.4 t -66.49 -26.21 37.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.106 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 122' ' ' VAL . . . . . . . . . . . . . 87.4 t -76.07 -55.97 9.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.052 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 123' ' ' VAL . . . . . 0.515 HG21 ' N ' ' B' ' 124' ' ' LEU . 17.4 m -48.6 -43.45 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.102 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . 0.515 ' N ' HG21 ' B' ' 123' ' ' VAL . 13.0 mt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 141' ' ' LYS . . . . . . . . . . . . . 19.1 mmtp . . . . . 0 N--CA 1.457 -0.11 0 CA-C-O 120.842 0.354 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 142' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -107.57 -29.07 9.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 143' ' ' THR . . . . . . . . . . . . . 95.0 m -52.55 -53.94 39.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.111 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.83 -47.15 85.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.84 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -52.23 -38.7 58.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 146' ' ' ARG . . . . . . . . . . . . . 25.4 tpt180 -82.03 -23.37 35.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 147' ' ' LEU . . . . . . . . . . . . . 19.4 mt -69.35 -24.56 63.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 148' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -58.15 -22.98 53.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.967 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -80.42 -17.76 50.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.978 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -65.74 -32.24 73.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 26.3 p -51.46 -30.23 19.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.138 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -54.64 -27.28 38.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -72.32 -30.45 64.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 3.4 m -113.73 22.13 5.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.153 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 155' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 . . . . . 0 C--N 1.33 -0.269 0 CA-C-O 121.633 0.73 . . . . 0.0 110.898 -179.983 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.768 0.318 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -97.26 158.53 15.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -64.4 -69.46 0.28 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 6.5 mmm180 -107.53 -72.96 0.7 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 72.22 30.93 1.99 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.121 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 m -89.51 112.48 51.89 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.624 0.726 . . . . 0.0 110.862 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.81 -46.65 1.13 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.67 2.246 . . . . 0.0 112.321 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.402 ' O ' HG13 ' A' ' 12' ' ' ILE . 6.1 mt -59.67 -54.68 43.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.924 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 31.1 p -53.18 -31.53 43.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 59.1 m -73.15 -34.19 65.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.851 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 41.4 mm -76.79 -40.09 31.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.098 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 8' ' ' LEU . 14.6 mt -59.74 -41.72 86.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.5 p -69.35 -36.3 76.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.821 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.49 -43.25 66.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.103 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 97.0 t -60.07 -54.25 37.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.054 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.428 HG22 HG13 ' B' ' 116' ' ' VAL . 57.6 t -51.46 -54.94 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.085 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -44.6 -53.9 6.84 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.488 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 36.1 mt -68.05 -33.43 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.866 0.365 . . . . 0.0 111.066 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 31.0 mt -59.52 -51.04 71.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.987 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.4 mt -60.2 -41.78 93.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 44.3 t -67.66 -27.46 38.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.086 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 40.0 t -74.96 -54.9 13.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.188 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.4 m -49.15 -48.46 17.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.097 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.47 HD23 ' HA ' ' A' ' 24' ' ' LEU . 13.1 mt -58.64 -51.66 68.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.94 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -46.43 -39.06 9.71 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.472 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 94.4 t -70.17 -39.17 76.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.833 0.349 . . . . 0.0 111.08 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.5 t -68.71 -42.6 83.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.088 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -63.72 -48.07 78.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -59.03 -40.98 96.2 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.503 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 43.0 mt -59.72 -54.48 34.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.86 0.362 . . . . 0.0 111.109 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.2 mt -49.79 -53.93 22.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.92 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 31.9 mt -48.88 -56.93 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.73 -23.59 65.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.855 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -81.62 -18.0 46.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.795 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.12 -38.91 10.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.956 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -58.5 -23.45 57.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.932 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -97.33 28.4 3.7 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.0 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 32.1 mmtm -80.88 151.53 28.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 78.2 mt -63.31 -16.51 18.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.123 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -90.3 24.43 2.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.928 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -51.35 -33.33 29.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 -50.84 -38.76 50.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.026 0.441 . . . . 0.0 110.965 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 53.3 m -51.58 -52.36 47.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.14 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 22.2 mtt -59.44 -46.96 87.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.05 -40.79 61.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.938 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.5 tpp180 -81.26 -23.35 38.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.787 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 17.0 mt -68.62 -26.58 65.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -58.3 -22.93 54.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -80.36 -17.18 52.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -64.89 -32.02 73.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 36.2 p -51.35 -29.93 16.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.199 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -54.45 -27.42 37.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -72.49 -30.67 64.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.958 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.5 m -113.35 23.6 4.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.1 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -124.57 69.09 53.19 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.631 0.729 . . . . 0.0 110.911 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 170.38 16.74 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.706 2.271 . . . . 0.0 112.321 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 60.1 mt -99.13 150.76 21.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.957 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 CA-C-O 119.16 -0.8 . . . . 0.0 112.514 179.89 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.089 0 CA-C-O 120.719 0.295 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -70.71 -25.55 63.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.917 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -48.09 118.99 2.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.962 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 54.6 mtt180 -48.64 -78.02 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.81 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . 75.21 38.02 0.44 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 1.7 m -84.55 112.38 41.7 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.682 0.753 . . . . 0.0 110.866 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.65 -47.28 1.0 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.685 2.257 . . . . 0.0 112.363 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . 0.413 ' O ' HG13 ' B' ' 112' ' ' ILE . 6.0 mt -59.14 -54.26 48.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.969 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 32.0 p -53.23 -32.44 48.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.136 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 60.9 m -72.45 -34.4 67.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.809 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 40.9 mm -76.38 -40.1 34.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.14 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 112' ' ' ILE . . . . . 0.413 HG13 ' O ' ' B' ' 108' ' ' LEU . 12.8 mt -59.6 -40.53 82.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 6.3 p -69.88 -37.27 76.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.793 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -71.05 -43.67 67.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.128 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 115' ' ' VAL . . . . . . . . . . . . . 95.5 t -59.02 -54.63 31.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.089 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 116' ' ' VAL . . . . . 0.428 HG13 HG22 ' A' ' 16' ' ' VAL . 57.5 t -51.44 -55.01 9.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.107 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -43.75 -54.34 5.87 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.437 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 31.7 mt -67.66 -33.62 63.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.915 0.388 . . . . 0.0 111.165 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 33.4 mt -59.24 -50.72 72.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.95 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 1.4 mt -60.25 -42.16 94.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.952 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 42.4 t -68.22 -27.16 36.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.18 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 122' ' ' VAL . . . . . . . . . . . . . 39.8 t -76.76 -53.82 14.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.195 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 123' ' ' VAL . . . . . . . . . . . . . 6.3 m -49.48 -48.45 19.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.111 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . 0.401 HD22 HD23 ' A' ' 24' ' ' LEU . 13.3 mt -63.51 -52.48 61.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 125' ' ' GLY . . . . . . . . . . . . . . . -45.38 -37.9 6.54 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.501 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 94.1 t -72.86 -40.96 60.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.833 0.349 . . . . 0.0 111.109 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 127' ' ' VAL . . . . . . . . . . . . . 12.2 t -66.7 -42.29 89.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.163 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 128' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -61.75 -51.95 66.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.846 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 129' ' ' GLY . . . . . . . . . . . . . . . -60.5 -38.21 94.51 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.446 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 31.0 mt -57.99 -49.15 82.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.92 0.39 . . . . 0.0 111.133 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 131' ' ' LEU . . . . . 0.467 ' O ' ' HG2' ' B' ' 134' ' ' ARG . 11.6 mt -59.25 -46.48 88.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.928 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 27.8 mt -57.36 -48.45 82.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.15 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -58.06 -45.76 86.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 134' ' ' ARG . . . . . 0.467 ' HG2' ' O ' ' B' ' 131' ' ' LEU . 3.8 ptm180 -73.5 -5.91 43.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.06 -39.58 8.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -58.49 98.22 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 52.54 51.24 16.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -152.99 89.87 1.41 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 56.9 mt -84.01 100.38 7.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.176 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 140' ' ' ARG . . . . . . . . . . . . . 48.6 mmm-85 -93.12 -11.5 32.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.828 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 141' ' ' LYS . . . . . . . . . . . . . 32.0 mmtm 56.32 32.12 19.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 142' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -51.26 -31.42 20.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 143' ' ' THR . . . . . . . . . . . . . 57.7 m -52.07 -54.57 28.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.152 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 23.1 mtt -58.17 -47.67 82.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.2 -40.81 62.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.93 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 146' ' ' ARG . . . . . . . . . . . . . 15.5 tpp180 -81.14 -23.25 38.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 147' ' ' LEU . . . . . . . . . . . . . 17.2 mt -68.55 -26.87 65.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 148' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -58.2 -22.92 53.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.943 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -80.66 -16.79 53.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -65.05 -31.78 73.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 36.8 p -51.19 -30.0 15.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.114 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -54.35 -27.45 36.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.945 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -72.69 -30.87 64.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.915 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 3.5 m -113.2 24.0 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.146 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 155' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -130.57 68.18 81.18 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 121.629 0.728 . . . . 0.0 110.906 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 156' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.66 170.54 16.22 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.672 2.248 . . . . 0.0 112.309 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 157' ' ' LEU . . . . . . . . . . . . . 92.1 mt -97.16 -39.29 9.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 158' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.481 179.918 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.809 0.338 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -146.87 -179.43 6.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.839 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -117.32 8.36 13.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.931 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 72.9 mtt-85 -95.0 46.09 1.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.6 37.31 1.48 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.103 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 m -76.77 114.64 40.95 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.667 0.746 . . . . 0.0 110.861 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -44.69 1.9 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.634 2.223 . . . . 0.0 112.348 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 mt -61.57 -54.61 40.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 34.6 p -52.69 -33.04 45.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.118 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.3 m -70.94 -34.23 71.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.871 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 37.9 mm -74.95 -38.03 42.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.139 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 25.8 mt -59.89 -57.9 9.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.085 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 55.8 p -57.49 -32.84 67.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.833 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.17 -41.76 66.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.083 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 77.9 t -64.14 -55.7 20.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.156 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.476 ' CG1' HD13 ' A' ' 20' ' ' LEU . 4.7 t -49.65 -50.67 17.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.099 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -50.18 -56.61 12.01 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.494 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 60.5 mt -60.81 -44.96 98.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.843 0.354 . . . . 0.0 111.102 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.3 mt -52.55 -52.07 56.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.476 HD13 ' CG1' ' A' ' 16' ' ' VAL . 0.9 OUTLIER -54.0 -41.55 68.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 179.875 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 99.8 t -66.11 -27.3 40.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 99.9 t -75.71 -55.42 11.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.175 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.501 HG22 ' N ' ' A' ' 24' ' ' LEU . 16.8 m -48.29 -41.92 11.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.121 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.501 ' N ' HG22 ' A' ' 23' ' ' VAL . 12.6 mt -64.77 -52.17 58.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.937 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -46.3 -37.3 8.07 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.464 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 84.9 t -73.7 -38.56 51.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.851 0.358 . . . . 0.0 111.134 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.9 t -69.2 -41.01 81.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.168 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -63.73 -49.2 73.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.839 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -61.71 -36.43 92.68 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.483 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 36.0 mt -61.27 -50.99 78.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.846 0.355 . . . . 0.0 111.122 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.434 ' HA ' ' HG2' ' A' ' 34' ' ' ARG . 10.7 mt -56.26 -51.34 68.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 30.7 mt -52.78 -41.08 37.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.139 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.78 -41.82 99.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.434 ' HG2' ' HA ' ' A' ' 31' ' ' LEU . 2.7 ptm180 -75.56 -13.01 60.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.832 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.34 -39.75 11.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -55.8 100.79 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -119.05 -40.59 2.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.9 mtmm -150.15 177.35 9.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.8 mp -50.52 103.23 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.094 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 13.2 mmt85 -121.68 18.13 11.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.847 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.62 -62.05 1.76 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.963 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -54.81 -26.58 35.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 98.9 m -51.75 -48.7 63.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.14 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 23.8 mtt -82.23 -43.86 17.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.23 -35.22 59.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 25.5 tpt180 -74.78 -23.64 58.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.3 mt -80.43 -21.6 41.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -58.54 -22.75 56.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -76.92 -8.58 57.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.905 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -81.71 -29.87 32.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 40.6 p -52.09 -28.76 18.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.127 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -56.34 -24.96 47.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.937 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -73.51 -22.74 60.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.937 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 1.6 m -115.7 13.2 7.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.55 161.75 22.07 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.64 0.733 . . . . 0.0 110.929 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 167.64 23.92 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.713 2.275 . . . . 0.0 112.298 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.3 mp -95.0 136.15 35.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.464 179.892 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.715 0.293 . . . . 0.0 111.098 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -160.59 169.95 21.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.941 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -101.45 -176.58 3.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 2.5 mmm180 57.15 50.99 10.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.866 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -132.12 31.21 4.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.099 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 1.2 m -86.69 113.98 55.69 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.649 0.738 . . . . 0.0 110.85 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -45.56 1.51 Allowed 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.692 2.261 . . . . 0.0 112.307 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 1.9 mt -60.74 -55.02 38.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.891 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 32.7 p -52.79 -31.96 41.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 52.5 m -71.94 -33.85 68.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.822 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 37.9 mm -75.36 -37.72 38.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.106 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 112' ' ' ILE . . . . . . . . . . . . . 27.2 mt -60.85 -58.89 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 56.8 p -57.37 -29.64 64.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -74.54 -42.07 59.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.053 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 115' ' ' VAL . . . . . . . . . . . . . 70.0 t -64.37 -57.2 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.166 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 116' ' ' VAL . . . . . 0.486 ' CG1' HD13 ' B' ' 120' ' ' LEU . 3.8 t -50.45 -49.18 24.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.147 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -49.87 -57.43 9.8 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.488 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 62.1 mt -60.18 -45.95 95.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.856 0.36 . . . . 0.0 111.131 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 18.2 mt -51.58 -51.45 55.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . 0.486 HD13 ' CG1' ' B' ' 116' ' ' VAL . 0.8 OUTLIER -54.97 -41.76 71.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.936 179.877 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 96.5 t -66.58 -26.91 38.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 122' ' ' VAL . . . . . . . . . . . . . 97.6 t -76.75 -54.8 12.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.12 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 123' ' ' VAL . . . . . 0.512 HG22 ' N ' ' B' ' 124' ' ' LEU . 19.0 m -48.73 -41.85 12.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.098 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . 0.512 ' N ' HG22 ' B' ' 123' ' ' VAL . 13.1 mt -65.64 -52.3 52.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 125' ' ' GLY . . . . . . . . . . . . . . . -45.64 -36.85 6.5 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.515 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 88.4 t -74.79 -39.36 45.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.916 0.388 . . . . 0.0 111.179 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 127' ' ' VAL . . . . . . . . . . . . . 15.8 t -68.22 -41.51 84.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.097 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 128' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -64.29 -47.81 78.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 129' ' ' GLY . . . . . . . . . . . . . . . -63.62 -35.02 91.49 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.516 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 39.3 mt -62.39 -52.11 64.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.875 0.369 . . . . 0.0 111.175 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 131' ' ' LEU . . . . . 0.438 ' HA ' ' HG2' ' B' ' 134' ' ' ARG . 11.0 mt -56.33 -54.38 46.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.882 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 36.2 mt -50.25 -42.5 20.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.115 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -61.29 -41.82 97.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 134' ' ' ARG . . . . . 0.438 ' HG2' ' HA ' ' B' ' 131' ' ' LEU . 0.2 OUTLIER -76.46 -12.82 60.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.31 -39.34 11.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.827 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -51.58 168.65 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.929 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -61.41 -19.13 61.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 22.3 mmtp -51.5 -77.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 59.5 mt -82.66 112.09 19.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.135 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 140' ' ' ARG . . . . . . . . . . . . . 33.7 mtp180 -119.72 19.54 12.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 141' ' ' LYS . . . . . . . . . . . . . 16.8 ttmt -123.91 14.61 9.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 142' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -107.81 1.03 22.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 143' ' ' THR . . . . . . . . . . . . . 99.0 m -51.94 -56.08 16.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.153 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 23.5 mtt -85.53 -40.22 16.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.53 -35.74 61.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 146' ' ' ARG . . . . . . . . . . . . . 25.3 tpt180 -74.52 -23.52 58.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 147' ' ' LEU . . . . . . . . . . . . . 12.3 mt -79.71 -21.73 44.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 148' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -58.86 -22.85 59.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.945 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -76.89 -8.88 58.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.938 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -80.62 -30.5 36.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 40.4 p -51.8 -29.13 17.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.131 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -55.95 -26.61 48.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -73.73 -25.41 60.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.918 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 2.7 m -116.7 21.41 6.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.102 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 155' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -133.42 68.25 76.72 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.599 0.714 . . . . 0.0 110.877 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 156' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 170.51 16.47 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.687 2.258 . . . . 0.0 112.285 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 157' ' ' LEU . . . . . . . . . . . . . 6.4 mp -88.48 -40.88 13.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 158' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.492 179.865 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.734 0.302 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -160.14 163.91 33.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.913 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -94.81 -178.14 4.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.97 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 13.6 mtp180 56.04 58.47 4.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.82 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -134.01 32.21 3.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.17 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -90.43 114.22 60.34 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-O 121.673 0.749 . . . . 0.0 110.85 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -44.44 2.07 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.701 2.267 . . . . 0.0 112.281 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.8 mt -59.42 -55.06 39.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 65.3 p -55.11 -29.15 57.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.182 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 56.5 m -73.95 -32.52 63.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.844 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 41.7 mm -79.13 -38.42 20.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.083 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 19.5 mt -61.21 -44.76 98.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.156 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 88.4 p -69.26 -32.47 71.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.18 -42.56 62.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.085 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 82.8 t -61.82 -61.68 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.127 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 61.6 t -47.76 -46.77 11.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.149 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -49.56 -57.92 8.86 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.504 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 42.8 mt -61.99 -35.24 67.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.902 0.382 . . . . 0.0 111.156 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 62.0 mt -59.46 -54.28 48.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.967 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.99 -38.6 65.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.963 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 67.7 t -69.05 -38.93 78.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.07 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 96.0 t -68.15 -54.67 20.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.152 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.442 HG23 ' N ' ' A' ' 24' ' ' LEU . 18.0 m -47.77 -44.51 10.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.058 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.466 HD22 ' HA ' ' A' ' 24' ' ' LEU . 12.5 mt -58.36 -59.23 5.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.883 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -43.86 -36.63 3.75 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.432 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 93.1 t -74.41 -42.37 49.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.829 0.347 . . . . 0.0 111.122 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 16.4 t -62.45 -39.11 83.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.161 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -67.24 -55.26 14.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.898 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -63.39 -50.94 58.48 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.448 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 8.3 mm -48.81 -63.89 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.877 0.37 . . . . 0.0 111.107 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.4 ' HA ' ' HG2' ' A' ' 34' ' ' ARG . 9.7 mt -47.79 -63.03 1.17 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.963 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 50.3 mt -47.02 -36.0 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.177 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.66 -37.89 85.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.4 ' HG2' ' HA ' ' A' ' 31' ' ' LEU . 2.5 ptm180 -80.44 -12.38 59.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.862 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -100.24 -11.81 20.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.834 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -83.17 103.57 12.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -110.77 -43.91 3.73 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.951 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.1 pttp -63.7 148.02 50.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 48.7 mt -57.74 103.7 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.105 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.6 mmt85 -103.83 19.35 20.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.904 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.7 tttp -79.93 -65.77 0.96 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -64.0 -23.59 67.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 78.7 m -54.55 -68.13 0.21 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.179 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 19.9 mmt -52.0 -52.33 51.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.864 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.36 -36.5 53.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.934 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.6 tpt85 -81.21 -23.58 38.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 35.9 mt -71.82 -16.72 62.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -57.64 -22.85 47.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.933 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -83.3 -19.12 36.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.944 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -73.54 -30.49 63.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 43.8 p -53.83 -27.12 27.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.183 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -54.98 -26.33 35.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -73.7 -28.88 61.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.0 m -114.74 21.37 6.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.159 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -113.71 74.06 2.32 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.607 0.718 . . . . 0.0 110.85 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.85 164.02 36.19 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.674 2.249 . . . . 0.0 112.328 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.9 mp -132.18 122.35 25.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.896 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 CA-C-O 119.13 -0.817 . . . . 0.0 112.517 179.92 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.778 0.323 . . . . 0.0 111.073 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -149.46 164.99 33.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -101.57 5.34 41.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 26.3 mmm-85 -91.86 54.36 2.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -149.03 40.83 0.89 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.102 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 10.0 t -83.01 114.43 52.61 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.675 0.75 . . . . 0.0 110.87 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -41.77 3.98 Favored 'Trans proline' 0 C--O 1.233 0.246 0 C-N-CA 122.636 2.224 . . . . 0.0 112.33 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 1.3 mt -61.23 -54.73 40.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 80.5 p -55.45 -29.82 59.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.149 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 49.6 m -73.33 -33.46 65.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 40.1 mm -79.01 -38.29 20.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.173 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 112' ' ' ILE . . . . . . . . . . . . . 14.3 mt -60.42 -43.57 94.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.146 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 93.0 p -70.29 -34.48 72.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.826 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -72.06 -41.6 67.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.055 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 115' ' ' VAL . . . . . . . . . . . . . 71.0 t -61.7 -61.97 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.183 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 67.0 t -47.28 -46.92 9.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.149 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -49.62 -58.03 8.79 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.453 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 44.2 mt -61.69 -35.29 66.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.915 0.388 . . . . 0.0 111.18 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 66.0 mt -59.37 -54.83 42.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.882 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.3 -39.0 63.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.946 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 70.9 t -68.39 -38.22 79.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.063 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 122' ' ' VAL . . . . . . . . . . . . . 99.7 t -68.28 -55.68 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.133 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 123' ' ' VAL . . . . . 0.431 HG23 ' N ' ' B' ' 124' ' ' LEU . 16.2 m -46.89 -44.5 7.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.156 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . 0.439 HD22 ' HA ' ' B' ' 124' ' ' LEU . 12.5 mt -58.46 -58.73 7.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.939 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 125' ' ' GLY . . . . . . . . . . . . . . . -44.01 -37.06 4.11 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.503 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 87.2 t -73.7 -42.24 54.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.91 0.386 . . . . 0.0 111.166 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 127' ' ' VAL . . . . . . . . . . . . . 15.5 t -62.87 -39.59 85.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.171 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 128' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -66.2 -52.2 50.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.934 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 129' ' ' GLY . . . . . . . . . . . . . . . -65.75 -47.79 72.91 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.413 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 7.2 mm -50.31 -63.82 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.82 0.343 . . . . 0.0 111.152 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 131' ' ' LEU . . . . . 0.41 ' HA ' ' HG2' ' B' ' 134' ' ' ARG . 9.4 mt -49.08 -62.14 1.69 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.912 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 57.1 mt -48.67 -33.27 4.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.13 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp -69.72 -32.34 70.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.858 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 134' ' ' ARG . . . . . 0.41 ' HG2' ' HA ' ' B' ' 131' ' ' LEU . 0.9 OUTLIER -87.05 -8.75 56.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.886 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -104.51 -19.53 13.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.913 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -71.03 -27.8 63.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.966 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -78.37 -69.61 0.55 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -150.1 143.99 25.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.962 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 53.2 mt -62.17 108.07 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.15 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 140' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? -64.46 -15.72 61.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.837 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 141' ' ' LYS . . . . . . . . . . . . . 19.4 mtpt 63.83 36.75 10.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.854 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 142' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -76.92 -5.23 47.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.002 0.43 . . . . 0.0 110.962 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 143' ' ' THR . . . . . . . . . . . . . 88.2 m -54.9 -68.56 0.18 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.155 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 20.1 mmt -52.5 -51.98 56.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.51 -36.44 55.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.821 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 146' ' ' ARG . . . . . . . . . . . . . 13.9 tpt85 -81.24 -23.62 37.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 147' ' ' LEU . . . . . . . . . . . . . 37.4 mt -71.7 -16.68 62.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 148' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -57.68 -22.85 48.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.947 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -83.13 -18.75 38.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -73.23 -30.48 63.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 44.7 p -53.42 -27.55 25.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.131 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -55.0 -26.6 37.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -73.89 -28.96 61.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.928 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 3.1 m -114.66 22.3 5.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.079 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 155' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -123.44 68.22 39.19 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.586 0.708 . . . . 0.0 110.888 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 156' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 154.64 67.56 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.728 2.286 . . . . 0.0 112.311 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 157' ' ' LEU . . . . . . . . . . . . . 66.9 tp -67.92 114.52 6.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 158' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.48 179.899 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.099 0 CA-C-O 120.781 0.324 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -158.27 167.05 30.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 8.3 tp60 -99.05 171.92 7.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 16.4 mmt180 63.66 61.16 1.02 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.946 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -135.91 33.26 2.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.125 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.1 m -90.72 114.4 61.17 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.611 0.72 . . . . 0.0 110.941 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 -45.66 1.53 Allowed 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.715 2.277 . . . . 0.0 112.361 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.7 mp -59.56 -55.17 37.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.898 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 43.4 p -53.94 -30.44 46.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.178 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 57.2 m -73.68 -31.85 63.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.857 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 39.6 mm -79.96 -38.86 19.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.138 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 21.9 mt -60.62 -44.59 97.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.184 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.7 m -70.14 -32.59 70.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.835 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.98 -42.41 63.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.075 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 75.5 t -62.17 -61.75 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 64.3 t -47.67 -46.3 11.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.16 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -50.13 -57.96 9.39 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.451 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 43.8 mt -62.16 -35.25 67.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.862 0.363 . . . . 0.0 111.108 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 63.1 mt -59.08 -54.47 46.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.16 -39.03 66.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 63.9 t -68.97 -38.09 78.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.077 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 93.1 t -68.6 -55.12 17.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.436 HG21 ' N ' ' A' ' 24' ' ' LEU . 18.0 m -47.56 -44.23 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.181 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.447 ' HA ' HD23 ' A' ' 24' ' ' LEU . 12.7 mt -58.67 -58.54 8.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -44.42 -36.2 4.25 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.449 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 84.4 t -74.96 -40.78 45.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.829 0.347 . . . . 0.0 111.139 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 17.6 t -64.31 -38.64 83.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -67.99 -52.28 37.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.23 -50.44 56.56 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.478 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 8.1 mm -50.34 -63.69 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.819 0.342 . . . . 0.0 111.15 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.412 ' HA ' ' HG2' ' A' ' 34' ' ' ARG . 9.3 mt -48.32 -64.22 0.86 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.938 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 60.9 mt -47.6 -34.9 3.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.9 mmtp -68.73 -35.53 77.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.412 ' HG2' ' HA ' ' A' ' 31' ' ' LEU . 0.9 OUTLIER -83.49 -8.98 59.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -103.17 -18.54 14.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.5 mm-40 -74.09 100.5 3.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.916 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -56.54 -179.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.857 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -57.27 97.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.6 mp -62.19 111.43 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.067 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.4 mtt85 -89.85 -13.41 36.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? 63.38 30.17 15.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -107.12 -37.35 6.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.957 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 96.2 m -52.3 -47.98 65.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.128 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 11.9 mtt -62.81 -43.28 99.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.825 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.49 -39.27 57.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.85 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 20.0 tpt180 -81.73 -23.64 36.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.835 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 19.1 mt -69.28 -24.11 63.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -58.48 -22.89 56.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.007 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -80.6 -16.28 54.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.959 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -67.79 -30.34 69.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 24.0 p -51.21 -30.43 17.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.148 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -54.18 -31.44 52.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -67.52 -30.21 69.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.927 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.3 m -114.1 21.59 6.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.155 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -123.47 68.19 39.52 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.696 0.76 . . . . 0.0 110.89 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 170.52 16.38 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.644 2.229 . . . . 0.0 112.391 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.0 mp -121.71 145.35 48.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.933 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 CA-C-O 119.155 -0.803 . . . . 0.0 112.439 179.906 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.669 0.271 . . . . 0.0 111.053 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -126.76 164.35 21.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.85 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 3.3 tm0? -80.49 -70.46 0.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.916 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -106.9 120.36 41.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -146.51 39.51 1.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.064 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 17.8 m -90.83 113.99 59.88 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.669 0.747 . . . . 0.0 110.865 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -46.09 1.36 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.66 2.24 . . . . 0.0 112.377 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 2.5 mp -59.36 -55.06 39.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 43.9 p -53.3 -32.1 47.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.105 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 49.2 m -72.9 -32.42 65.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.869 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 37.9 mm -79.56 -38.58 19.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.133 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 112' ' ' ILE . . . . . . . . . . . . . 19.1 mt -60.38 -43.47 93.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 14.6 m -70.63 -34.43 72.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -71.95 -41.48 67.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.074 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 115' ' ' VAL . . . . . . . . . . . . . 73.5 t -62.19 -61.89 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.085 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 66.3 t -47.22 -46.61 9.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.11 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -50.22 -58.08 9.31 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.487 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 43.7 mt -61.76 -35.44 67.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.894 0.378 . . . . 0.0 111.105 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 64.6 mt -58.97 -54.77 43.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.64 -39.23 64.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 66.0 t -68.53 -38.32 78.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.108 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 122' ' ' VAL . . . . . . . . . . . . . 86.5 t -68.34 -55.55 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.189 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 123' ' ' VAL . . . . . 0.431 HG21 ' N ' ' B' ' 124' ' ' LEU . 17.2 m -47.03 -44.42 7.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.122 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . 0.431 ' HA ' HD23 ' B' ' 124' ' ' LEU . 12.5 mt -58.55 -58.83 6.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.949 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 125' ' ' GLY . . . . . . . . . . . . . . . -43.92 -36.87 3.93 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.854 -0.688 . . . . 0.0 112.456 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 85.8 t -74.13 -41.89 51.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.837 0.351 . . . . 0.0 111.136 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 127' ' ' VAL . . . . . . . . . . . . . 16.1 t -63.26 -39.02 83.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.155 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 128' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -67.06 -52.12 46.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 129' ' ' GLY . . . . . . . . . . . . . . . -65.48 -48.98 63.12 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.43 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 8.2 mm -50.23 -63.71 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.877 0.37 . . . . 0.0 111.074 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 9.3 mt -48.7 -62.92 1.26 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 56.8 mt -48.54 -34.3 5.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.138 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 1.8 mmtt -68.78 -33.54 74.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 134' ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -85.72 -9.68 56.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -103.31 -18.61 14.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -72.9 -24.92 60.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.847 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -61.47 -68.65 0.3 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.867 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 20.8 pttm -165.7 152.82 10.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.946 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 77.1 mt -71.38 110.31 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.111 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 140' ' ' ARG . . . . . . . . . . . . . 26.5 mtp85 -73.49 -11.39 60.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 141' ' ' LYS . . . . . . . . . . . . . 34.6 mmtm 61.78 47.85 5.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 142' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -80.9 -26.11 37.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 143' ' ' THR . . . . . . . . . . . . . 98.9 m -52.22 -48.75 64.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.141 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 12.3 mtt -63.47 -44.15 95.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.835 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.02 -39.06 58.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.855 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 146' ' ' ARG . . . . . . . . . . . . . 19.8 tpt180 -81.61 -23.62 36.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 147' ' ' LEU . . . . . . . . . . . . . 19.5 mt -69.03 -24.08 64.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 148' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -58.47 -22.9 56.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -80.46 -16.31 54.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -67.82 -30.15 69.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.832 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 23.9 p -51.02 -30.52 15.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.149 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -54.45 -31.43 55.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.846 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -67.6 -29.73 69.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 3.2 m -114.24 21.22 6.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.149 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 155' ' ' GLU . . . . . 0.42 ' HB2' ' HD2' ' B' ' 156' ' ' PRO . 2.8 pt-20 -60.63 160.36 19.64 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.678 0.752 . . . . 0.0 110.851 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 156' ' ' PRO . . . . . 0.42 ' HD2' ' HB2' ' B' ' 155' ' ' GLU . 53.7 Cg_endo -69.79 130.54 19.49 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.704 2.269 . . . . 0.0 112.335 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 157' ' ' LEU . . . . . . . . . . . . . 2.0 tt -91.84 145.12 24.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.937 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 158' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.441 179.967 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.769 0.319 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -148.67 175.49 11.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.874 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -112.29 -175.57 2.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 13.0 ptt-85 38.28 54.14 1.75 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -122.87 25.65 8.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.108 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 m -83.7 113.89 50.17 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.648 0.737 . . . . 0.0 110.902 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -40.67 4.97 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.691 2.26 . . . . 0.0 112.303 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.405 ' O ' HG13 ' A' ' 12' ' ' ILE . 2.2 mm? -63.67 -55.25 24.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.952 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 68.8 p -53.68 -31.01 46.09 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.174 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 49.6 m -72.86 -33.53 66.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 37.5 mm -79.87 -33.75 14.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.139 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 8' ' ' LEU . 24.7 mt -63.69 -43.34 98.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.089 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.1 p -72.83 -30.12 63.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.798 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.81 -45.72 34.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.143 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 78.4 t -60.47 -62.82 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.078 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 56.3 t -48.87 -47.07 16.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.124 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -47.15 -56.55 7.76 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.528 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 39.7 mt -65.34 -34.59 71.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.878 0.37 . . . . 0.0 111.091 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.4 mt -57.92 -52.33 65.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.953 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.18 -43.03 87.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 47.9 t -67.15 -26.88 37.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.115 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 43.3 t -75.66 -54.32 14.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.139 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.2 m -49.51 -46.41 20.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.156 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.42 HD22 ' HA ' ' A' ' 24' ' ' LEU . 13.2 mt -61.65 -52.28 65.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -45.66 -38.14 7.28 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.499 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 94.6 t -72.04 -40.21 67.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.879 0.371 . . . . 0.0 111.137 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.8 t -67.39 -43.1 87.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -61.23 -50.78 71.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.902 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -61.04 -39.79 97.59 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.495 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 33.1 mt -56.61 -50.0 75.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.804 0.335 . . . . 0.0 111.13 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.41 ' HA ' ' HG2' ' A' ' 34' ' ' ARG . 11.1 mt -58.17 -50.45 73.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 31.5 mt -53.38 -48.84 56.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.099 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.28 -45.37 80.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.41 ' HG2' ' HA ' ' A' ' 31' ' ' LEU . 2.8 ptm180 -71.61 -16.2 62.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.842 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.05 -42.36 12.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -52.7 163.23 0.48 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.987 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -97.36 -70.09 0.73 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.986 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -116.12 -36.66 4.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 74.2 mt -51.31 123.75 3.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.53 -68.43 0.73 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -124.14 10.32 8.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -91.23 13.36 17.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.976 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 65.7 m -55.3 -74.38 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.078 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 13.1 mmm -52.95 -48.66 67.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.874 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.66 -32.58 52.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.0 tpp180 -82.16 -23.55 35.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 51.2 mt -75.06 -17.68 60.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -58.41 -22.76 55.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.98 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -80.4 -15.92 55.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.972 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -77.43 -22.41 51.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 45.1 p -52.13 -29.04 20.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -54.95 -26.9 39.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -74.18 -28.9 61.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.905 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.0 m -114.5 21.44 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.07 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -84.24 162.15 52.46 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.577 0.703 . . . . 0.0 110.912 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 166.79 26.36 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.694 2.263 . . . . 0.0 112.332 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 29.8 mt -119.51 135.31 54.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.941 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 CA-C-O 119.129 -0.817 . . . . 0.0 112.527 179.9 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.783 0.325 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 9.7 mp0 -148.62 178.21 8.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -116.28 7.24 13.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 36.4 ptt85 -93.73 43.19 1.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -138.33 35.02 2.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.134 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 1.6 m -77.71 113.97 37.05 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-O 121.72 0.771 . . . . 0.0 110.887 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 -40.01 5.92 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.701 2.267 . . . . 0.0 112.319 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . 0.429 ' O ' HG13 ' B' ' 112' ' ' ILE . 2.3 mm? -64.37 -54.9 25.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 69.8 p -53.7 -31.79 49.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.163 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 42.3 m -71.98 -33.71 68.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.862 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 36.4 mm -79.5 -33.4 15.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.095 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 112' ' ' ILE . . . . . 0.429 HG13 ' O ' ' B' ' 108' ' ' LEU . 25.8 mt -63.52 -42.95 97.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.104 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 3.1 p -72.77 -31.59 65.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -74.85 -44.8 47.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.099 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 115' ' ' VAL . . . . . . . . . . . . . 65.4 t -60.6 -62.1 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.17 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 57.9 t -48.5 -48.18 14.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.092 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -47.14 -56.29 7.99 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.462 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 41.5 mt -65.2 -34.6 71.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.835 0.35 . . . . 0.0 111.171 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 12.5 mt -57.95 -52.99 63.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.913 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.53 -43.01 84.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 47.9 t -66.44 -27.96 41.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 122' ' ' VAL . . . . . . . . . . . . . 49.0 t -74.05 -55.51 12.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.15 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 123' ' ' VAL . . . . . . . . . . . . . 4.4 m -48.57 -46.36 14.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.117 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . 0.43 HD22 ' HA ' ' B' ' 124' ' ' LEU . 12.4 mt -59.83 -51.89 67.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.024 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 125' ' ' GLY . . . . . . . . . . . . . . . -46.95 -37.85 9.86 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.466 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 84.2 t -71.1 -38.54 71.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.929 0.395 . . . . 0.0 111.144 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 127' ' ' VAL . . . . . . . . . . . . . 16.5 t -68.99 -41.81 81.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.099 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 128' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -63.55 -49.5 73.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 129' ' ' GLY . . . . . . . . . . . . . . . -57.58 -42.68 94.22 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.472 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 44.1 mt -58.23 -54.07 37.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.834 0.349 . . . . 0.0 111.151 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 10.5 mt -49.56 -53.18 25.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.955 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 25.1 mt -49.65 -58.45 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.11 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.97 -22.89 63.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.837 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 134' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.26 -18.28 43.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.59 -40.77 10.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -57.47 -30.28 64.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -83.91 -68.69 0.69 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.84 154.06 4.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.921 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 59.9 mt -81.67 96.03 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.103 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 140' ' ' ARG . . . . . . . . . . . . . 1.5 mmm180 -88.69 -13.28 40.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 141' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 63.79 56.45 1.5 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.865 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 142' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -58.55 -24.98 61.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.894 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 143' ' ' THR . . . . . . . . . . . . . 66.9 m -52.0 -65.74 0.5 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.079 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 8.8 mmm -49.84 -49.26 49.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.82 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -52.9 -35.2 57.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.818 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 146' ' ' ARG . . . . . . . . . . . . . 15.1 tpp180 -82.3 -23.4 35.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.868 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 147' ' ' LEU . . . . . . . . . . . . . 52.3 mt -72.77 -16.55 61.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.96 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 148' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -57.73 -22.9 49.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -80.67 -16.86 52.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -78.26 -21.23 50.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 45.8 p -51.38 -29.86 17.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.172 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -55.07 -27.05 41.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -74.43 -28.68 61.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 3.0 m -114.3 22.06 5.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.131 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 155' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -83.86 162.17 53.33 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.605 0.716 . . . . 0.0 110.861 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 156' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 130.42 19.35 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.675 2.25 . . . . 0.0 112.364 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 157' ' ' LEU . . . . . . . . . . . . . 20.7 tp -100.72 111.04 23.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.854 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 158' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.509 179.871 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.742 0.305 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -162.23 163.73 28.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.906 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -95.89 -175.57 3.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.97 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.5 mtp-105 57.74 48.56 13.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.783 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -129.07 29.17 5.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.07 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.8 m -87.11 114.3 57.8 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.654 0.74 . . . . 0.0 110.779 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.79 -43.01 2.88 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.743 2.296 . . . . 0.0 112.261 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.92 -55.06 33.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 48.7 p -54.92 -27.44 43.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.059 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 68.6 m -75.01 -34.56 61.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.863 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 42.7 mm -77.05 -40.74 30.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.136 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 17.8 mt -59.96 -44.59 94.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.174 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.2 m -67.08 -33.85 76.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.817 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.97 -42.62 63.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.144 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 97.6 t -61.19 -55.32 25.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.091 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 60.8 t -51.64 -52.39 21.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.172 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -46.19 -53.99 8.8 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.49 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 39.0 mt -67.77 -34.01 65.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.915 0.388 . . . . 0.0 111.17 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 33.5 mt -58.91 -51.05 71.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.3 mt -60.16 -41.72 93.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.937 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 46.0 t -67.88 -27.69 38.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.1 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 42.5 t -74.92 -54.93 13.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.099 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.0 m -49.22 -47.83 18.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.223 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.468 HD23 ' HA ' ' A' ' 24' ' ' LEU . 13.3 mt -59.53 -51.38 70.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.933 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -46.41 -39.12 9.7 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.525 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 90.9 t -70.66 -39.21 75.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.891 0.377 . . . . 0.0 111.137 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.2 t -68.59 -43.54 83.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.214 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -61.37 -51.96 66.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -58.34 -39.15 92.29 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.486 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 35.5 mt -58.44 -48.57 84.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.895 0.378 . . . . 0.0 111.142 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.42 ' O ' ' HG2' ' A' ' 34' ' ' ARG . 11.4 mt -58.3 -43.29 88.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.967 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 24.6 mt -59.92 -51.13 76.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.11 -47.86 74.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.42 ' HG2' ' O ' ' A' ' 31' ' ' LEU . 0.3 OUTLIER -70.64 -10.88 60.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.868 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.01 -43.98 8.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.942 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -53.06 102.21 0.05 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.987 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -116.42 -42.24 3.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.898 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.8 mmtm -147.81 172.28 14.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.8 mp -50.42 105.33 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.161 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.8 mmm180 -117.0 21.31 13.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -73.27 -43.48 60.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -52.08 -33.35 38.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.945 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 96.5 m -55.72 -59.3 5.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.169 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -51.52 -40.82 60.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.19 -33.75 54.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.813 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 28.4 tpt180 -82.32 -33.63 28.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.22 -36.5 83.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.946 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -56.91 -24.51 52.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -84.45 -21.66 30.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -73.88 -24.18 59.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 45.6 p -51.9 -29.02 18.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.178 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -54.97 -26.69 38.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -74.7 -28.91 61.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.947 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.1 m -114.63 23.11 5.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.152 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -84.93 162.13 50.69 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.605 0.717 . . . . 0.0 110.933 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.65 167.33 24.62 Favored 'Trans proline' 0 C--O 1.233 0.239 0 C-N-CA 122.659 2.239 . . . . 0.0 112.37 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.3 mp -73.96 -61.27 1.91 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.878 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 CA-C-O 119.15 -0.806 . . . . 0.0 112.55 179.892 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 120.724 0.297 . . . . 0.0 111.092 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -139.44 -175.51 4.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -71.34 -23.24 61.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.915 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 104' ' ' ARG . . . . . 0.417 ' O ' ' CB ' ' B' ' 105' ' ' ALA . 10.6 mmp_? -52.45 172.61 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.86 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 105' ' ' ALA . . . . . 0.417 ' CB ' ' O ' ' B' ' 104' ' ' ARG . . . 79.18 41.08 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.076 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.13 113.54 52.52 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.679 0.752 . . . . 0.0 110.844 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -42.85 3.05 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.678 2.252 . . . . 0.0 112.314 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -62.23 -54.44 40.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.935 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 41.7 p -54.49 -29.52 50.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.108 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 58.8 m -73.57 -35.05 65.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.824 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 39.8 mm -76.09 -40.45 37.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.133 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 112' ' ' ILE . . . . . . . . . . . . . 14.5 mt -59.83 -42.36 88.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.071 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 32.3 m -68.07 -36.16 79.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.838 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -71.63 -42.87 67.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.049 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 115' ' ' VAL . . . . . . . . . . . . . 96.7 t -59.91 -55.45 23.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.163 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 57.5 t -51.28 -53.29 15.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.152 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -44.95 -54.89 6.63 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.489 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 36.1 mt -66.62 -34.61 71.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.899 0.381 . . . . 0.0 111.118 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 35.5 mt -58.65 -51.28 70.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 1.2 mt -59.2 -41.98 89.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 43.3 t -68.26 -27.19 36.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.077 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 122' ' ' VAL . . . . . . . . . . . . . 47.1 t -76.61 -53.58 14.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.085 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 123' ' ' VAL . . . . . . . . . . . . . 6.0 m -49.75 -47.62 21.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.174 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' B' ' 124' ' ' LEU . 13.3 mt -62.32 -53.13 59.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 125' ' ' GLY . . . . . . . . . . . . . . . -44.66 -38.23 5.44 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.504 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 88.5 t -72.05 -41.8 67.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.933 0.397 . . . . 0.0 111.154 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 127' ' ' VAL . . . . . . . . . . . . . 11.4 t -66.08 -44.77 91.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.074 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 128' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -59.87 -53.11 61.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.852 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 129' ' ' GLY . . . . . . . . . . . . . . . -61.2 -35.96 91.67 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.474 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 18.3 mt -57.54 -51.39 70.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.864 0.364 . . . . 0.0 111.108 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 11.2 mt -59.75 -48.49 81.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.946 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 38.1 mt -56.07 -49.69 74.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.151 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.51 -44.44 76.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 134' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.82 -19.46 61.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.832 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.09 -38.24 19.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.861 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -55.87 178.61 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -52.05 -28.64 18.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 19.9 mmmt -86.94 104.61 16.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 15.7 mt -75.08 142.37 14.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.143 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 140' ' ' ARG . . . . . . . . . . . . . 55.2 mmm-85 -114.53 1.4 14.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.857 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 141' ' ' LYS . . . . . . . . . . . . . 19.7 mttt 52.51 30.59 8.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 142' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -82.86 -15.22 52.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.943 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 143' ' ' THR . . . . . . . . . . . . . 98.8 m -53.56 -62.06 1.9 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.199 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -50.94 -41.28 58.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.842 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.73 -33.63 56.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.808 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 146' ' ' ARG . . . . . . . . . . . . . 28.3 tpt180 -82.27 -34.05 28.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 147' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.11 -37.03 83.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 148' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -56.82 -25.33 55.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.848 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -84.56 -21.83 30.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.901 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -73.88 -24.25 59.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.96 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 45.4 p -51.61 -29.75 18.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -55.27 -26.64 41.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.879 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -74.71 -28.38 60.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 2.9 m -114.42 23.05 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.083 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 155' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -127.66 68.23 74.03 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.667 0.746 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 156' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 170.48 16.54 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.694 2.263 . . . . 0.0 112.341 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 157' ' ' LEU . . . . . . . . . . . . . 7.4 tt -109.76 -34.87 6.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.976 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 158' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.499 179.905 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.747 0.308 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -159.36 170.01 22.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -100.92 -179.76 4.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.943 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.1 mtt180 59.25 53.64 5.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.821 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -132.79 31.4 3.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.107 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m -90.16 114.71 61.94 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.699 0.761 . . . . 0.0 110.885 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -43.9 2.4 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.699 2.266 . . . . 0.0 112.275 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.1 mt -62.56 -54.69 35.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.885 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 31.1 p -53.81 -28.83 37.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.096 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 70.0 m -74.0 -34.1 64.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.867 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 41.9 mm -76.82 -40.95 32.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.095 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 21.4 mt -59.38 -45.24 93.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.112 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 13.6 t -66.53 -34.49 78.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.831 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.73 -42.64 63.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.121 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 94.7 t -60.48 -55.84 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.088 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 60.3 t -51.58 -52.68 19.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.123 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -45.18 -54.53 7.09 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.526 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 34.9 mt -67.86 -33.97 64.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.84 0.352 . . . . 0.0 111.068 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 33.6 mt -58.61 -50.64 73.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.3 mt -60.78 -42.2 97.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.882 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 43.7 t -68.56 -27.52 36.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.135 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 36.8 t -75.7 -53.09 16.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.15 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.5 m -50.7 -47.53 28.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.14 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.409 HD22 ' HA ' ' A' ' 24' ' ' LEU . 13.3 mt -61.97 -52.25 64.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -45.56 -38.64 7.35 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.435 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 87.8 t -71.61 -40.47 71.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.859 0.361 . . . . 0.0 111.123 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.1 t -67.57 -44.15 86.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.052 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -60.38 -51.55 69.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -61.47 -38.68 96.17 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.442 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 26.1 mt -56.37 -49.0 78.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.859 0.362 . . . . 0.0 111.122 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.44 ' HA ' ' HG2' ' A' ' 34' ' ' ARG . 11.2 mt -60.64 -48.59 81.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 33.8 mt -55.23 -49.07 75.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.18 -45.39 83.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.44 ' HG2' ' HA ' ' A' ' 31' ' ' LEU . 0.8 OUTLIER -71.26 -13.76 62.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.0 -42.1 10.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -54.81 101.14 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.952 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -116.94 -40.72 3.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.961 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.7 ptpt -153.25 98.51 2.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.875 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 65.9 mt -75.91 101.11 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.124 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -115.24 -7.92 12.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.86 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? 54.61 33.7 19.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.929 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -107.11 -15.81 14.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.945 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 75.1 m -53.36 -44.26 68.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.095 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 9.8 mmt -85.42 -49.77 7.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.818 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.75 -30.41 22.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.1 tpp180 -82.01 -31.23 31.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.834 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.8 mt -67.75 -20.06 65.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -57.81 -23.34 52.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -77.36 -18.96 56.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -73.01 -24.08 60.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.858 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 76.2 p -54.26 -28.29 40.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.16 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -60.74 -19.1 58.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -88.5 -24.63 22.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.952 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.6 m -116.93 25.35 4.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.11 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.422 ' HB2' ' HD2' ' A' ' 56' ' ' PRO . 3.6 pt-20 -146.64 160.04 42.48 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.647 0.736 . . . . 0.0 110.834 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.422 ' HD2' ' HB2' ' A' ' 55' ' ' GLU . 54.6 Cg_endo -69.76 150.51 68.34 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.688 2.259 . . . . 0.0 112.381 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 13.7 mt -91.55 -31.37 15.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.926 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 CA-C-O 119.138 -0.812 . . . . 0.0 112.485 179.891 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.687 0.28 . . . . 0.0 111.066 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -160.48 174.59 13.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -112.34 -170.01 1.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.953 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 38.52 47.75 1.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.836 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -118.56 22.84 11.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.148 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 16.1 m -82.94 113.89 48.72 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.63 0.728 . . . . 0.0 110.832 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -45.54 1.55 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.673 2.249 . . . . 0.0 112.331 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 6.1 mt -60.85 -54.7 41.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 31.4 p -53.69 -29.77 40.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.17 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 70.8 m -73.73 -34.04 64.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.837 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 42.1 mm -76.55 -41.11 34.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.133 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 112' ' ' ILE . . . . . . . . . . . . . 20.5 mt -59.29 -44.59 92.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.089 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 13.6 t -66.81 -34.97 78.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.856 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -72.5 -42.37 64.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.139 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 115' ' ' VAL . . . . . . . . . . . . . 94.9 t -60.49 -55.89 21.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.159 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 59.5 t -51.43 -52.58 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.147 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -45.42 -54.64 7.32 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.441 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 35.2 mt -67.65 -33.86 64.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.934 0.397 . . . . 0.0 111.122 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 33.8 mt -58.69 -50.78 72.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 1.3 mt -60.49 -42.32 96.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.949 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 43.6 t -68.31 -27.58 37.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.086 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 122' ' ' VAL . . . . . . . . . . . . . 37.3 t -75.45 -53.37 16.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.156 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 123' ' ' VAL . . . . . . . . . . . . . 5.9 m -50.55 -47.5 27.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.15 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . 0.474 HD22 ' HA ' ' B' ' 124' ' ' LEU . 13.3 mt -60.39 -51.98 67.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.934 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 125' ' ' GLY . . . . . . . . . . . . . . . -46.01 -38.5 8.29 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.515 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 88.3 t -71.21 -40.23 74.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.848 0.356 . . . . 0.0 111.128 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 127' ' ' VAL . . . . . . . . . . . . . 11.1 t -67.65 -44.55 86.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.175 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 128' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -60.12 -52.07 66.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.881 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 129' ' ' GLY . . . . . . . . . . . . . . . -60.52 -38.36 94.78 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.45 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 24.9 mt -56.95 -48.39 81.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.83 0.348 . . . . 0.0 111.148 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 131' ' ' LEU . . . . . 0.422 ' O ' ' HG2' ' B' ' 134' ' ' ARG . 11.4 mt -60.77 -46.28 91.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.945 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 31.6 mt -57.96 -47.52 86.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.087 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.53 -46.26 84.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.914 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 134' ' ' ARG . . . . . 0.422 ' HG2' ' O ' ' B' ' 131' ' ' LEU . 3.7 ptm180 -73.35 -8.17 54.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.855 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.11 -28.29 14.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -72.3 -6.62 44.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 67.36 53.26 0.76 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.973 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -109.24 -14.73 14.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 1.3 mt -91.42 175.45 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.119 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 140' ' ' ARG . . . . . . . . . . . . . 61.2 mtp180 -87.55 24.13 1.76 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 141' ' ' LYS . . . . . . . . . . . . . 21.7 mtpt 63.65 50.81 2.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.928 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 142' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -62.91 -23.55 67.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 143' ' ' THR . . . . . . . . . . . . . 51.7 m -53.09 -38.95 63.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.202 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 6.7 mmt -78.12 -51.41 10.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.865 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.24 -30.23 26.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 146' ' ' ARG . . . . . . . . . . . . . 15.9 tpp180 -82.16 -31.2 30.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 147' ' ' LEU . . . . . . . . . . . . . 15.0 mt -67.24 -18.44 65.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 148' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -58.02 -22.88 51.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.977 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -77.22 -18.8 57.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.953 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -75.04 -22.7 58.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 82.4 p -54.58 -27.59 40.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.18 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -63.11 -17.9 62.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.868 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -90.7 -24.1 20.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.87 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 2.3 m -116.12 21.11 6.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.153 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 155' ' ' GLU . . . . . 0.432 ' HB2' ' HD2' ' B' ' 156' ' ' PRO . 4.8 pt-20 -51.78 159.26 1.38 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.588 0.709 . . . . 0.0 110.87 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 156' ' ' PRO . . . . . 0.432 ' HD2' ' HB2' ' B' ' 155' ' ' GLU . 53.6 Cg_endo -69.73 130.59 19.64 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.685 2.257 . . . . 0.0 112.345 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 157' ' ' LEU . . . . . . . . . . . . . 33.9 mt -109.28 179.45 4.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.959 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 158' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.487 179.849 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.729 0.3 . . . . 0.0 111.08 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -123.69 -167.47 1.63 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.827 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.31 -65.54 1.18 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.94 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 18.5 ptt85 -106.13 106.99 17.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.99 35.73 1.94 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.047 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 m -87.38 114.28 57.95 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.675 0.75 . . . . 0.0 110.869 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -41.01 4.57 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.658 2.239 . . . . 0.0 112.371 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -64.74 -54.48 30.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 35.1 p -54.36 -28.19 41.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.109 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 65.5 m -74.0 -35.32 64.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.922 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 44.0 mm -76.66 -40.34 32.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.151 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 17.3 mt -59.7 -42.98 90.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.095 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 63.6 m -68.05 -35.92 79.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.66 -43.75 65.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.14 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 96.8 t -59.64 -54.12 38.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.141 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 61.3 t -51.78 -55.05 10.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.091 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -43.99 -54.69 5.95 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.451 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 33.0 mt -67.52 -34.13 66.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.881 0.372 . . . . 0.0 111.138 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 31.6 mt -58.57 -50.83 72.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.873 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.4 mt -60.27 -42.45 95.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.998 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 59.9 t -68.22 -27.22 36.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.193 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 39.1 t -76.17 -53.75 14.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.7 m -49.85 -48.18 22.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.055 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' A' ' 24' ' ' LEU . 12.6 mt -59.88 -52.33 65.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -45.95 -39.51 8.93 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.536 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 96.3 t -69.73 -39.97 78.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.838 0.351 . . . . 0.0 111.076 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.7 t -67.42 -43.7 87.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.153 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -61.62 -52.29 64.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.934 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -58.78 -45.23 95.19 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.452 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 6.3 mm -52.81 -47.91 50.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.854 0.359 . . . . 0.0 111.175 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.492 ' O ' ' HG2' ' A' ' 34' ' ' ARG . 11.5 mt -58.77 -45.34 90.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.891 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 22.1 mt -57.88 -48.4 83.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.156 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.23 -43.49 92.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.492 ' HG2' ' O ' ' A' ' 31' ' ' LEU . 6.0 ptm180 -74.47 -6.25 47.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.33 -43.78 6.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -52.82 103.7 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.947 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -99.99 -67.77 0.84 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -109.0 163.12 13.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 48.7 mt -58.87 97.63 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.121 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 15.5 mtp180 -101.3 20.93 14.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 32.4 mmtm -68.79 -25.04 64.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -107.42 -23.42 12.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 96.9 m -53.79 -58.35 7.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.066 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 6.7 mtt -58.99 -38.31 78.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -54.34 -36.34 63.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.86 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.8 tpp180 -74.12 -25.74 59.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.81 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -76.17 -25.81 55.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -62.07 -25.25 67.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.954 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -84.18 -19.9 33.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 40.5 mm-40 -75.29 -22.58 57.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 40.1 p -51.43 -29.71 16.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.153 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -54.18 -27.71 35.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.891 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -72.87 -31.38 64.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.898 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.5 m -112.91 23.95 4.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -86.41 161.99 46.96 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.657 0.741 . . . . 0.0 110.84 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 161.97 43.86 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.747 2.298 . . . . 0.0 112.324 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 14.0 mt -124.61 156.5 37.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 CA-C-O 119.094 -0.837 . . . . 0.0 112.485 179.902 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.71 0.29 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -155.58 -179.29 7.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.939 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -97.59 169.5 9.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 17.0 mtp180 64.25 61.57 0.89 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.79 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -135.73 33.45 2.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.128 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 1.5 m -96.64 114.11 63.89 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.762 0.792 . . . . 0.0 110.825 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.67 -41.24 4.56 Favored 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 122.66 2.24 . . . . 0.0 112.38 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -64.64 -54.74 27.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.979 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 35.7 p -54.36 -27.59 37.28 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.109 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 66.4 m -74.73 -35.2 62.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 43.6 mm -76.89 -40.64 31.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.175 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 112' ' ' ILE . . . . . . . . . . . . . 18.4 mt -59.92 -42.39 89.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.221 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 62.1 m -68.63 -35.11 76.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.785 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -72.21 -43.96 63.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.065 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 115' ' ' VAL . . . . . . . . . . . . . 91.5 t -59.79 -54.24 37.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.169 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 61.6 t -51.81 -54.85 11.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.112 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -44.13 -54.36 6.21 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.454 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 33.3 mt -67.93 -33.81 63.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.898 0.38 . . . . 0.0 111.136 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 30.5 mt -58.87 -50.6 73.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.882 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 1.3 mt -60.58 -42.49 96.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 58.3 t -68.0 -27.07 36.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.157 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 122' ' ' VAL . . . . . . . . . . . . . 38.4 t -75.88 -54.39 13.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.103 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 123' ' ' VAL . . . . . . . . . . . . . 5.2 m -49.53 -48.41 19.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . 0.452 HD23 ' HA ' ' B' ' 124' ' ' LEU . 12.3 mt -60.17 -52.73 64.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 125' ' ' GLY . . . . . . . . . . . . . . . -45.8 -39.45 8.48 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.49 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 98.3 t -69.7 -40.49 79.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.884 0.373 . . . . 0.0 111.16 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 127' ' ' VAL . . . . . . . . . . . . . 15.1 t -66.82 -44.33 89.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 128' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -62.66 -50.12 72.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.833 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 129' ' ' GLY . . . . . . . . . . . . . . . -61.62 -45.81 95.55 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.431 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 5.5 mm -52.42 -48.68 45.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.858 0.361 . . . . 0.0 111.083 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 131' ' ' LEU . . . . . 0.422 ' HA ' ' HG2' ' B' ' 134' ' ' ARG . 10.7 mt -58.3 -51.45 69.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 27.3 mt -54.11 -50.41 54.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.041 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.12 -46.37 75.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 134' ' ' ARG . . . . . 0.422 ' HG2' ' HA ' ' B' ' 131' ' ' LEU . 0.9 OUTLIER -69.21 -17.73 63.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.913 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.39 -34.59 16.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -50.87 -33.11 22.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.898 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -158.01 105.25 1.95 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 13.5 ptpt -125.06 145.93 49.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 81.0 mt -71.82 131.86 34.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.068 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 140' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -75.12 -29.15 60.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 141' ' ' LYS . . . . . . . . . . . . . 14.7 tttt -76.6 -7.73 55.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.89 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 142' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -92.27 14.4 16.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.893 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 143' ' ' THR . . . . . . . . . . . . . 97.5 m -56.27 -60.95 2.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.173 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 7.1 mtt -60.51 -37.52 81.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.921 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -54.31 -36.14 63.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 146' ' ' ARG . . . . . . . . . . . . . 16.9 tpp180 -74.4 -25.72 59.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 147' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -75.8 -25.4 56.35 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 148' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -62.3 -25.43 67.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.96 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 22.1 mm-40 -84.23 -19.63 33.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.985 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -75.39 -22.65 57.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 38.9 p -51.09 -30.02 14.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.187 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -54.4 -27.76 38.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.815 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -72.84 -31.04 64.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 3.5 m -112.97 24.21 4.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 155' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -125.29 68.54 58.61 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.66 0.743 . . . . 0.0 110.897 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 156' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.73 170.55 16.28 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.722 2.282 . . . . 0.0 112.337 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 157' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -133.34 118.91 19.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 158' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.505 179.925 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.059 0 CA-C-O 120.754 0.311 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -150.91 163.94 37.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.841 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -84.31 -175.22 5.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.972 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 18.3 mmt85 56.24 57.41 5.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.86 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -134.43 32.36 3.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.057 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.5 t -93.75 114.25 62.56 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.694 0.759 . . . . 0.0 110.847 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -44.38 2.14 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.741 2.294 . . . . 0.0 112.335 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.4 mt -58.63 -55.33 36.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 70.6 p -55.55 -29.03 58.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.174 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 54.7 m -74.03 -32.64 63.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.918 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 41.5 mm -79.41 -38.6 19.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.166 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 18.6 mt -60.97 -44.66 98.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.108 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 83.1 p -69.64 -32.5 71.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.99 -42.55 63.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.121 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 83.8 t -61.92 -62.2 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 62.4 t -47.26 -46.57 9.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.11 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -49.97 -58.09 9.05 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.502 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 41.3 mt -62.01 -34.88 65.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.819 0.342 . . . . 0.0 111.123 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 63.5 mt -59.63 -54.39 46.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.925 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.99 -38.57 65.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.955 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 64.7 t -68.93 -39.24 79.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.096 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 92.4 t -68.08 -55.03 18.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.064 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.449 HG23 ' N ' ' A' ' 24' ' ' LEU . 19.1 m -47.36 -44.28 8.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.153 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.467 HD21 ' HA ' ' A' ' 24' ' ' LEU . 12.5 mt -58.61 -58.93 6.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -44.0 -36.48 3.86 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.476 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 86.3 t -74.56 -42.27 48.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.836 0.35 . . . . 0.0 111.126 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 16.3 t -62.77 -38.64 82.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.179 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -67.66 -55.43 13.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -63.16 -49.93 67.33 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.509 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 7.1 mm -49.73 -64.01 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.895 0.378 . . . . 0.0 111.079 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.405 ' HA ' ' HG2' ' A' ' 34' ' ' ARG . 9.8 mt -47.65 -62.49 1.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 50.3 mt -47.4 -35.95 4.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.132 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.3 tmtp? -66.75 -37.15 84.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.405 ' HG2' ' HA ' ' A' ' 31' ' ' LEU . 2.6 ptm180 -81.47 -11.87 59.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.2 mtt85 -100.67 -17.19 17.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -73.77 114.08 11.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -116.48 178.03 4.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -76.18 -19.31 58.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.95 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 48.1 mt -56.88 -25.18 21.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.098 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 14.5 mtm180 -96.78 21.34 9.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 46.8 tttt -62.27 -37.49 85.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -95.22 13.84 24.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 98.0 m -87.18 -60.99 1.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.086 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 8.1 mtt -59.35 -31.83 69.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.95 -39.48 59.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.941 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.33 -29.52 34.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.88 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -69.76 -41.45 75.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.946 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -60.02 -22.75 63.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.962 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -82.62 -15.91 50.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -73.47 -24.3 60.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 24.1 p -51.09 -30.37 15.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.093 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -53.57 -33.69 55.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -65.12 -29.92 70.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.931 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.2 m -113.83 20.51 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.097 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.412 ' HB2' ' HD2' ' A' ' 56' ' ' PRO . 4.0 pt-20 -56.38 160.45 5.14 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.714 0.768 . . . . 0.0 110.793 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.412 ' HD2' ' HB2' ' A' ' 55' ' ' GLU . 53.6 Cg_endo -69.83 130.57 19.5 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.664 2.243 . . . . 0.0 112.29 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.4 tp -73.66 161.58 30.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 CA-C-O 119.2 -0.778 . . . . 0.0 112.49 179.887 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.696 0.284 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -151.45 -176.26 5.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.929 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 7.7 pm0 -78.36 -20.54 51.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.859 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 104' ' ' ARG . . . . . 0.425 ' O ' ' CB ' ' B' ' 105' ' ' ALA . 55.5 mmm-85 -53.55 174.42 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 105' ' ' ALA . . . . . 0.425 ' CB ' ' O ' ' B' ' 104' ' ' ARG . . . 78.76 39.73 0.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.014 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 1.6 m -80.19 113.71 40.95 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.587 0.708 . . . . 0.0 110.855 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -44.56 2.02 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.7 2.267 . . . . 0.0 112.309 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 1.2 mt -59.93 -54.83 41.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.95 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 63.2 p -54.42 -30.52 52.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 53.7 m -73.53 -33.16 64.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 41.0 mm -79.1 -38.52 20.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.102 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 112' ' ' ILE . . . . . . . . . . . . . 15.8 mt -60.56 -43.16 93.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.169 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 83.1 p -70.55 -34.06 71.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.84 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -72.29 -41.77 66.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.074 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 115' ' ' VAL . . . . . . . . . . . . . 71.8 t -61.83 -62.41 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 63.2 t -47.12 -46.22 8.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.173 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -49.94 -58.12 8.99 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.45 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 41.5 mt -61.8 -34.55 63.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.935 0.397 . . . . 0.0 111.081 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 64.4 mt -60.07 -55.09 38.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.926 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.26 -38.38 62.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 65.8 t -68.53 -39.23 80.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 122' ' ' VAL . . . . . . . . . . . . . 91.8 t -67.83 -55.48 16.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.175 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 123' ' ' VAL . . . . . 0.433 HG23 ' N ' ' B' ' 124' ' ' LEU . 16.6 m -46.8 -44.78 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.152 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . 0.444 HD21 ' HA ' ' B' ' 124' ' ' LEU . 12.5 mt -58.25 -58.62 7.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 125' ' ' GLY . . . . . . . . . . . . . . . -43.87 -37.78 4.23 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.519 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 84.0 t -73.25 -42.16 57.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.897 0.379 . . . . 0.0 111.183 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 127' ' ' VAL . . . . . . . . . . . . . 15.7 t -62.99 -39.02 83.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.154 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 128' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -66.44 -55.93 13.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 129' ' ' GLY . . . . . . . . . . . . . . . -63.29 -47.38 88.31 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.478 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 4.9 mm -50.03 -63.83 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.833 0.349 . . . . 0.0 111.12 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 9.3 mt -48.46 -61.23 2.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.951 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 42.4 mt -47.43 -36.67 4.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.13 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.96 -35.28 80.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 134' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -84.21 -6.7 59.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -107.36 -9.93 15.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.809 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -78.37 -62.48 1.67 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.007 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -51.88 -47.87 64.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 12.3 pttp -170.53 148.49 3.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.963 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 10.0 mt -75.99 99.26 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.109 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 140' ' ' ARG . . . . . . . . . . . . . 6.9 mtp85 -58.1 -174.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 141' ' ' LYS . . . . . . . . . . . . . 54.9 tttt -86.84 40.7 0.92 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.943 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 142' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -109.54 8.95 25.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 143' ' ' THR . . . . . . . . . . . . . 85.0 m -81.36 -59.57 2.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.133 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 6.3 mtt -57.11 -32.5 66.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.884 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.6 -38.94 61.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 146' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.17 -30.01 31.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 147' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -68.59 -41.39 79.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 148' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -60.51 -22.81 63.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.826 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -82.39 -15.81 51.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.877 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -73.19 -24.52 60.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.808 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 25.4 p -51.6 -29.48 17.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.139 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -53.15 -33.75 53.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -65.12 -31.01 71.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.913 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 3.5 m -113.7 22.21 5.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.163 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 155' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -85.09 162.1 50.35 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.592 0.711 . . . . 0.0 110.931 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 156' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 154.35 68.15 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.696 2.264 . . . . 0.0 112.355 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 157' ' ' LEU . . . . . . . . . . . . . 5.4 mp -71.74 155.7 40.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.951 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 158' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.513 179.886 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.769 0.318 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -149.94 164.46 35.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -87.03 -172.66 4.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? 52.64 52.34 14.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -133.27 31.51 3.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.127 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.4 m -89.84 113.91 58.74 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.742 0.782 . . . . 0.0 110.899 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -44.8 1.87 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.669 2.246 . . . . 0.0 112.364 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -61.24 -54.99 37.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 34.6 p -52.71 -32.58 43.62 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.183 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 49.8 m -71.37 -33.66 69.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.813 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 38.1 mm -75.59 -37.5 36.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.118 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 31.0 mt -60.6 -57.98 9.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.07 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 17.2 t -57.95 -31.24 66.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.855 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.45 -42.46 61.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.149 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 79.3 t -63.27 -57.62 11.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.095 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.484 ' CG1' HD11 ' A' ' 20' ' ' LEU . 3.5 t -49.49 -49.99 17.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.131 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -49.0 -56.79 9.56 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.536 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 59.7 mt -60.4 -46.7 94.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.793 0.33 . . . . 0.0 111.08 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 80.1 mt -50.81 -51.6 49.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.484 HD11 ' CG1' ' A' ' 16' ' ' VAL . 0.9 OUTLIER -54.96 -41.98 71.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 179.912 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 96.5 t -66.71 -26.08 36.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.125 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 94.4 t -75.26 -56.51 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.174 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.49 HG21 ' N ' ' A' ' 24' ' ' LEU . 17.9 m -48.9 -43.57 14.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.16 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.49 ' N ' HG21 ' A' ' 23' ' ' VAL . 13.3 mt -64.19 -51.79 62.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.849 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -45.76 -37.27 6.98 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.522 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 89.8 t -74.1 -39.74 50.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.917 0.389 . . . . 0.0 111.149 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.9 t -68.4 -41.63 83.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.161 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -63.51 -47.18 82.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.857 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.81 -38.26 96.22 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.466 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 35.7 mt -60.21 -49.77 82.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.805 0.336 . . . . 0.0 111.128 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.406 ' HA ' ' HG2' ' A' ' 34' ' ' ARG . 11.0 mt -57.11 -53.49 57.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 32.8 mt -51.06 -38.41 18.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.3 -39.59 94.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.406 ' HG2' ' HA ' ' A' ' 31' ' ' LEU . 2.8 ptm180 -77.42 -15.06 59.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.19 -36.73 13.77 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.837 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -56.33 -27.77 56.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -112.5 22.98 14.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.3 ptmm? -69.6 151.72 45.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.943 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.7 mp -55.37 -32.93 30.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.257 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 14.5 mmt-85 -95.28 22.0 7.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.818 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.7 ptmt -53.11 -36.43 60.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -52.77 -35.62 56.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.954 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 98.0 m -53.2 -53.17 54.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.1 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.04 -46.59 87.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -51.94 -38.82 57.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 25.3 tpt180 -82.18 -23.32 35.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 20.1 mt -69.35 -24.43 63.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.972 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -58.15 -22.89 53.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -80.48 -17.69 50.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -65.74 -32.25 73.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 25.6 p -51.35 -30.03 17.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.181 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -54.57 -27.04 36.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -72.17 -30.46 65.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.5 m -113.77 21.48 6.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.197 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.416 ' HB2' ' HD2' ' A' ' 56' ' ' PRO . 3.2 pt-20 -56.45 160.3 5.44 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.659 0.742 . . . . 0.0 110.883 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.416 ' HD2' ' HB2' ' A' ' 55' ' ' GLU . 53.1 Cg_endo -69.79 144.23 53.2 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.671 2.247 . . . . 0.0 112.356 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 86.5 mt -141.08 176.58 8.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.392 0 CA-C-O 119.145 -0.808 . . . . 0.0 112.555 179.964 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.734 0.302 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -149.58 164.93 33.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.931 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 14.0 tp60 -104.58 4.03 32.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.998 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 10.2 mpt_? -92.46 48.47 1.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -144.84 38.58 1.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.064 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 11.9 m -80.08 114.56 47.62 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.695 0.76 . . . . 0.0 110.89 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -44.39 2.1 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.631 2.221 . . . . 0.0 112.379 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . 0.411 ' O ' HG13 ' B' ' 112' ' ' ILE . 3.6 mm? -61.73 -54.7 38.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 36.6 p -52.54 -33.63 46.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.171 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 46.9 m -70.81 -34.16 71.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.871 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 36.9 mm -75.3 -37.58 39.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.123 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 112' ' ' ILE . . . . . 0.411 HG13 ' O ' ' B' ' 108' ' ' LEU . 28.2 mt -59.96 -57.3 12.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.062 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 16.1 t -58.04 -33.47 69.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -71.85 -42.46 66.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.132 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 115' ' ' VAL . . . . . . . . . . . . . 69.7 t -62.89 -56.63 16.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.1 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 116' ' ' VAL . . . . . 0.489 ' CG1' HD11 ' B' ' 120' ' ' LEU . 4.7 t -49.14 -51.07 14.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.156 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -48.93 -56.56 9.83 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.487 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 56.9 mt -61.09 -46.27 96.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.872 0.367 . . . . 0.0 111.119 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 79.4 mt -51.02 -51.23 55.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.025 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . 0.489 HD11 ' CG1' ' B' ' 116' ' ' VAL . 0.8 OUTLIER -54.47 -42.74 71.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.894 179.905 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 98.4 t -66.49 -26.21 37.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.106 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 122' ' ' VAL . . . . . . . . . . . . . 87.4 t -76.07 -55.97 9.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.052 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 123' ' ' VAL . . . . . 0.515 HG21 ' N ' ' B' ' 124' ' ' LEU . 17.4 m -48.6 -43.45 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.102 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . 0.515 ' N ' HG21 ' B' ' 123' ' ' VAL . 13.0 mt -64.16 -51.65 62.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 125' ' ' GLY . . . . . . . . . . . . . . . -45.95 -37.37 7.41 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.512 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 90.5 t -74.0 -39.47 51.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.838 0.351 . . . . 0.0 111.097 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 127' ' ' VAL . . . . . . . . . . . . . 12.5 t -68.69 -41.25 82.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.096 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 128' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -63.7 -47.46 81.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.831 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 129' ' ' GLY . . . . . . . . . . . . . . . -62.56 -38.75 96.89 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.485 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 38.6 mt -59.97 -49.25 84.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.82 0.343 . . . . 0.0 111.124 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 131' ' ' LEU . . . . . 0.421 ' HA ' ' HG2' ' B' ' 134' ' ' ARG . 10.7 mt -57.27 -53.9 52.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 28.9 mt -50.57 -38.59 16.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.125 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.62 -39.77 94.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 134' ' ' ARG . . . . . 0.421 ' HG2' ' HA ' ' B' ' 131' ' ' LEU . 2.7 ptm180 -78.42 -12.13 59.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.899 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 -93.81 -34.82 13.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 -58.87 -37.51 76.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.974 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -93.08 172.8 8.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.945 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.67 168.03 1.32 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 30.3 mt -64.88 124.14 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.121 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 140' ' ' ARG . . . . . . . . . . . . . 22.9 mtt-85 -93.58 19.34 8.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 141' ' ' LYS . . . . . . . . . . . . . 19.1 mmtp 62.5 37.12 13.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 142' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -107.57 -29.07 9.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 143' ' ' THR . . . . . . . . . . . . . 95.0 m -52.55 -53.94 39.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.111 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.83 -47.15 85.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.84 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -52.23 -38.7 58.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 146' ' ' ARG . . . . . . . . . . . . . 25.4 tpt180 -82.03 -23.37 35.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 147' ' ' LEU . . . . . . . . . . . . . 19.4 mt -69.35 -24.56 63.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 148' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -58.15 -22.98 53.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.967 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -80.42 -17.76 50.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.978 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -65.74 -32.24 73.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 26.3 p -51.46 -30.23 19.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.138 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -54.64 -27.28 38.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -72.32 -30.45 64.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 3.4 m -113.73 22.13 5.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.153 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 155' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -122.73 68.19 32.16 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.633 0.73 . . . . 0.0 110.898 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 156' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 170.48 16.5 Favored 'Trans proline' 0 N--CA 1.464 -0.238 0 C-N-CA 122.735 2.29 . . . . 0.0 112.362 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 157' ' ' LEU . . . . . . . . . . . . . 9.1 tt -60.88 -42.16 97.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.966 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 158' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.488 179.892 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.768 0.318 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -97.26 158.53 15.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -64.4 -69.46 0.28 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.513 ' O ' ' HB3' ' A' ' 5' ' ' ALA . 6.5 mmm180 -107.53 -72.96 0.7 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' A' ' 4' ' ' ARG . . . 72.22 30.93 1.99 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.121 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 m -89.51 112.48 51.89 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.624 0.726 . . . . 0.0 110.862 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.81 -46.65 1.13 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.67 2.246 . . . . 0.0 112.321 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.1 mt -59.67 -54.68 43.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.924 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.717 ' HA ' HD12 ' A' ' 12' ' ' ILE . 31.1 p -53.18 -31.53 43.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 59.1 m -73.15 -34.19 65.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.851 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.679 ' O ' HG23 ' A' ' 15' ' ' VAL . 41.4 mm -76.79 -40.09 31.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.098 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.717 HD12 ' HA ' ' A' ' 9' ' ' THR . 14.6 mt -59.74 -41.72 86.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.5 p -69.35 -36.3 76.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.821 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.49 -43.25 66.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.103 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 11' ' ' ILE . 97.0 t -60.07 -54.25 37.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.054 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.699 HG13 HG13 ' B' ' 116' ' ' VAL . 57.6 t -51.46 -54.94 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.085 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.587 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -44.6 -53.9 6.84 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.488 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.676 ' O ' HG23 ' A' ' 22' ' ' VAL . 36.1 mt -68.05 -33.43 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.866 0.365 . . . . 0.0 111.066 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.669 ' CD1' HG12 ' A' ' 15' ' ' VAL . 31.0 mt -59.52 -51.04 71.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.987 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.432 HD12 HG12 ' A' ' 16' ' ' VAL . 1.4 mt -60.2 -41.78 93.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 17' ' ' GLY . 44.3 t -67.66 -27.46 38.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.086 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 18' ' ' ILE . 40.0 t -74.96 -54.9 13.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.188 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.585 ' O ' HG23 ' A' ' 27' ' ' VAL . 4.4 m -49.15 -48.46 17.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.097 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.497 HD23 HD21 ' B' ' 124' ' ' LEU . 13.1 mt -58.64 -51.66 68.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.94 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -46.43 -39.06 9.71 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.472 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 94.4 t -70.17 -39.17 76.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.833 0.349 . . . . 0.0 111.08 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 23' ' ' VAL . 12.5 t -68.71 -42.6 83.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.088 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -63.72 -48.07 78.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.503 -179.968 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 121.026 0.441 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 53.3 m -51.58 -52.36 47.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.14 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.571 ' HG2' HD11 ' B' ' 147' ' ' LEU . 22.2 mtt -59.44 -46.96 87.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.05 -40.79 61.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.938 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.5 tpp180 -81.26 -23.35 38.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.787 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.552 HD11 ' HG2' ' B' ' 144' ' ' MET . 17.0 mt -68.62 -26.58 65.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.427 HD23 ' O ' ' A' ' 44' ' ' MET . 4.3 mm? -58.3 -22.93 54.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -80.36 -17.18 52.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -64.89 -32.02 73.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 36.2 p -51.35 -29.93 16.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.199 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -54.45 -27.42 37.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -72.49 -30.67 64.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.958 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.5 m -113.35 23.6 4.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.1 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -124.57 69.09 53.19 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.631 0.729 . . . . 0.0 110.911 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--O 1.232 0.203 0 C-N-CA 122.706 2.271 . . . . 0.0 112.321 -179.958 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 116' ' ' VAL . . . . . 0.699 HG13 HG13 ' A' ' 16' ' ' VAL . 57.5 t . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.84 0.353 . . . . 0.0 111.107 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 117' ' ' GLY . . . . . 0.554 ' O ' HG23 ' B' ' 121' ' ' VAL . . . -43.75 -54.34 5.87 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.437 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 118' ' ' ILE . . . . . 0.66 ' O ' HG23 ' B' ' 122' ' ' VAL . 31.7 mt -67.66 -33.62 63.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.915 0.388 . . . . 0.0 111.165 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 119' ' ' LEU . . . . . 0.607 HD12 ' HA ' ' B' ' 116' ' ' VAL . 33.4 mt -59.24 -50.72 72.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.95 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 120' ' ' LEU . . . . . 0.454 HD12 HG12 ' B' ' 116' ' ' VAL . 1.4 mt -60.25 -42.16 94.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.952 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 121' ' ' VAL . . . . . 0.554 HG23 ' O ' ' B' ' 117' ' ' GLY . 42.4 t -68.22 -27.16 36.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.18 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 122' ' ' VAL . . . . . 0.66 HG23 ' O ' ' B' ' 118' ' ' ILE . 39.8 t -76.76 -53.82 14.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.195 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 123' ' ' VAL . . . . . 0.435 HG23 ' N ' ' B' ' 124' ' ' LEU . 6.3 m -49.48 -48.45 19.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.111 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 124' ' ' LEU . . . . . 0.497 HD21 HD23 ' A' ' 24' ' ' LEU . 13.3 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 141' ' ' LYS . . . . . . . . . . . . . 32.0 mmtm . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.795 0.331 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 142' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -51.26 -31.42 20.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 143' ' ' THR . . . . . . . . . . . . . 57.7 m -52.07 -54.57 28.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.152 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 144' ' ' MET . . . . . 0.552 ' HG2' HD11 ' A' ' 47' ' ' LEU . 23.1 mtt -58.17 -47.67 82.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.2 -40.81 62.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.93 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 146' ' ' ARG . . . . . . . . . . . . . 15.5 tpp180 -81.14 -23.25 38.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 147' ' ' LEU . . . . . 0.571 HD11 ' HG2' ' A' ' 44' ' ' MET . 17.2 mt -68.55 -26.87 65.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 148' ' ' LEU . . . . . 0.422 HD23 ' O ' ' B' ' 144' ' ' MET . 4.3 mm? -58.2 -22.92 53.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.943 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -80.66 -16.79 53.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -65.05 -31.78 73.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 36.8 p -51.19 -30.0 15.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.114 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -54.35 -27.45 36.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.945 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -72.69 -30.87 64.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.915 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 3.5 m -113.2 24.0 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.146 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 155' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 . . . . . 0 C--N 1.33 -0.246 0 CA-C-O 121.629 0.728 . . . . 0.0 110.906 179.977 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.809 0.338 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -146.87 -179.43 6.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.839 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -117.32 8.36 13.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.931 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 72.9 mtt-85 -95.0 46.09 1.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.6 37.31 1.48 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.103 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 m -76.77 114.64 40.95 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.667 0.746 . . . . 0.0 110.861 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -44.69 1.9 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.634 2.223 . . . . 0.0 112.348 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 mt -61.57 -54.61 40.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.748 ' HA ' HD12 ' A' ' 12' ' ' ILE . 34.6 p -52.69 -33.04 45.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.118 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.3 m -70.94 -34.23 71.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.871 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.693 ' O ' HG23 ' A' ' 15' ' ' VAL . 37.9 mm -74.95 -38.03 42.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.139 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.748 HD12 ' HA ' ' A' ' 9' ' ' THR . 25.8 mt -59.89 -57.9 9.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.085 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 55.8 p -57.49 -32.84 67.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.833 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.17 -41.76 66.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.083 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 11' ' ' ILE . 77.9 t -64.14 -55.7 20.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.156 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.887 HG13 ' CG1' ' B' ' 116' ' ' VAL . 4.7 t -49.65 -50.67 17.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.099 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -50.18 -56.61 12.01 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.494 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.539 ' O ' HG23 ' A' ' 22' ' ' VAL . 60.5 mt -60.81 -44.96 98.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.843 0.354 . . . . 0.0 111.102 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.3 mt -52.55 -52.07 56.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.74 HD12 ' O ' ' A' ' 16' ' ' VAL . 0.9 OUTLIER -54.0 -41.55 68.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 179.875 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 99.8 t -66.11 -27.3 40.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 18' ' ' ILE . 99.9 t -75.71 -55.42 11.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.175 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.768 ' O ' HG23 ' A' ' 27' ' ' VAL . 16.8 m -48.29 -41.92 11.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.121 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.464 HD23 ' HA ' ' A' ' 24' ' ' LEU . 12.6 mt -64.77 -52.17 58.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.937 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -46.3 -37.3 8.07 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.464 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 84.9 t -73.7 -38.56 51.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.851 0.358 . . . . 0.0 111.134 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.768 HG23 ' O ' ' A' ' 23' ' ' VAL . 15.9 t -69.2 -41.01 81.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.168 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -63.73 -49.2 73.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.839 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.483 -179.976 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 12.4 t80 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.954 0.407 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 98.9 m -51.75 -48.7 63.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.14 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.548 ' HG2' HD22 ' B' ' 147' ' ' LEU . 23.8 mtt -82.23 -43.86 17.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.23 -35.22 59.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 25.5 tpt180 -74.78 -23.64 58.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.496 HD22 ' HG2' ' B' ' 144' ' ' MET . 12.3 mt -80.43 -21.6 41.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.666 HD11 HG22 ' B' ' 151' ' ' THR . 4.2 mm? -58.54 -22.75 56.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -76.92 -8.58 57.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.905 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -81.71 -29.87 32.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.717 HG22 HD11 ' B' ' 148' ' ' LEU . 40.6 p -52.09 -28.76 18.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.127 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -56.34 -24.96 47.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.937 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -73.51 -22.74 60.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.937 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 1.6 m -115.7 13.2 7.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.55 161.75 22.07 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.64 0.733 . . . . 0.0 110.929 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo . . . . . 0 C--N 1.341 0.178 0 C-N-CA 122.713 2.275 . . . . 0.0 112.298 -179.931 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 116' ' ' VAL . . . . . 0.887 ' CG1' HG13 ' A' ' 16' ' ' VAL . 3.8 t . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.9 0.381 . . . . 0.0 111.147 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -49.87 -57.43 9.8 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.488 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 118' ' ' ILE . . . . . 0.558 ' O ' HG23 ' B' ' 122' ' ' VAL . 62.1 mt -60.18 -45.95 95.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.856 0.36 . . . . 0.0 111.131 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 18.2 mt -51.58 -51.45 55.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 120' ' ' LEU . . . . . 0.735 HD12 ' O ' ' B' ' 116' ' ' VAL . 0.8 OUTLIER -54.97 -41.76 71.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.936 179.877 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 96.5 t -66.58 -26.91 38.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 122' ' ' VAL . . . . . 0.558 HG23 ' O ' ' B' ' 118' ' ' ILE . 97.6 t -76.75 -54.8 12.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.12 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 123' ' ' VAL . . . . . 0.622 HG21 HD23 ' A' ' 20' ' ' LEU . 19.0 m -48.73 -41.85 12.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.098 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 124' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' B' ' 124' ' ' LEU . 13.1 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 141' ' ' LYS . . . . . . . . . . . . . 16.8 ttmt . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.796 0.331 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 142' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -107.81 1.03 22.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 143' ' ' THR . . . . . . . . . . . . . 99.0 m -51.94 -56.08 16.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.153 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 144' ' ' MET . . . . . 0.496 ' HG2' HD22 ' A' ' 47' ' ' LEU . 23.5 mtt -85.53 -40.22 16.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.53 -35.74 61.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 146' ' ' ARG . . . . . . . . . . . . . 25.3 tpt180 -74.52 -23.52 58.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 147' ' ' LEU . . . . . 0.548 HD22 ' HG2' ' A' ' 44' ' ' MET . 12.3 mt -79.71 -21.73 44.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 148' ' ' LEU . . . . . 0.717 HD11 HG22 ' A' ' 51' ' ' THR . 4.3 mm? -58.86 -22.85 59.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.945 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -76.89 -8.88 58.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.938 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -80.62 -30.5 36.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 151' ' ' THR . . . . . 0.666 HG22 HD11 ' A' ' 48' ' ' LEU . 40.4 p -51.8 -29.13 17.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.131 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -55.95 -26.61 48.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -73.73 -25.41 60.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.918 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 2.7 m -116.7 21.41 6.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.102 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 155' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 . . . . . 0 C--N 1.33 -0.257 0 CA-C-O 121.599 0.714 . . . . 0.0 110.877 -179.965 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.734 0.302 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -160.14 163.91 33.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.913 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -94.81 -178.14 4.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.97 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 13.6 mtp180 56.04 58.47 4.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.82 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -134.01 32.21 3.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.17 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -90.43 114.22 60.34 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-O 121.673 0.749 . . . . 0.0 110.85 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -44.44 2.07 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.701 2.267 . . . . 0.0 112.281 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.8 mt -59.42 -55.06 39.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.666 ' HA ' HD12 ' A' ' 12' ' ' ILE . 65.3 p -55.11 -29.15 57.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.182 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 56.5 m -73.95 -32.52 63.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.844 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.671 ' O ' HG23 ' A' ' 15' ' ' VAL . 41.7 mm -79.13 -38.42 20.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.083 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.666 HD12 ' HA ' ' A' ' 9' ' ' THR . 19.5 mt -61.21 -44.76 98.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.156 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 88.4 p -69.26 -32.47 71.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.18 -42.56 62.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.085 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.671 HG23 ' O ' ' A' ' 11' ' ' ILE . 82.8 t -61.82 -61.68 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.127 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.767 ' HA ' HD12 ' A' ' 19' ' ' LEU . 61.6 t -47.76 -46.77 11.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.149 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -49.56 -57.92 8.86 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.504 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.735 ' O ' HG23 ' A' ' 22' ' ' VAL . 42.8 mt -61.99 -35.24 67.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.902 0.382 . . . . 0.0 111.156 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.767 HD12 ' HA ' ' A' ' 16' ' ' VAL . 62.0 mt -59.46 -54.28 48.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.967 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.534 HD12 HG12 ' A' ' 16' ' ' VAL . 1.0 OUTLIER -53.99 -38.6 65.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.963 179.823 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 67.7 t -69.05 -38.93 78.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.07 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.735 HG23 ' O ' ' A' ' 18' ' ' ILE . 96.0 t -68.15 -54.67 20.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.152 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.839 ' O ' HG23 ' A' ' 27' ' ' VAL . 18.0 m -47.77 -44.51 10.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.058 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.464 HD23 ' HA ' ' A' ' 24' ' ' LEU . 12.5 mt -58.36 -59.23 5.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.883 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -43.86 -36.63 3.75 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.432 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 93.1 t -74.41 -42.37 49.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.829 0.347 . . . . 0.0 111.122 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.839 HG23 ' O ' ' A' ' 23' ' ' VAL . 16.4 t -62.45 -39.11 83.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.161 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -67.24 -55.26 14.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.898 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.245 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.448 -179.905 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.891 0.377 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 78.7 m -54.55 -68.13 0.21 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.179 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 19.9 mmt -52.0 -52.33 51.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.864 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.36 -36.5 53.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.934 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.6 tpt85 -81.21 -23.58 38.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 35.9 mt -71.82 -16.72 62.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -57.64 -22.85 47.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.933 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -83.3 -19.12 36.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.944 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -73.54 -30.49 63.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 43.8 p -53.83 -27.12 27.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.183 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.526 ' CG ' HD22 ' A' ' 53' ' ' LEU . 18.3 pt-20 -54.98 -26.33 35.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.526 HD22 ' CG ' ' A' ' 52' ' ' GLU . 4.3 mm? -73.7 -28.88 61.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.0 m -114.74 21.37 6.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.159 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -113.71 74.06 2.32 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.607 0.718 . . . . 0.0 110.85 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo . . . . . 0 C--O 1.232 0.189 0 C-N-CA 122.674 2.249 . . . . 0.0 112.328 -179.988 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 116' ' ' VAL . . . . . 0.741 ' HA ' HD12 ' B' ' 119' ' ' LEU . 67.0 t . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.783 0.325 . . . . 0.0 111.149 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -49.62 -58.03 8.79 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.453 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 118' ' ' ILE . . . . . 0.723 ' O ' HG23 ' B' ' 122' ' ' VAL . 44.2 mt -61.69 -35.29 66.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.915 0.388 . . . . 0.0 111.18 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 119' ' ' LEU . . . . . 0.741 HD12 ' HA ' ' B' ' 116' ' ' VAL . 66.0 mt -59.37 -54.83 42.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.882 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 120' ' ' LEU . . . . . 0.507 HD12 HG12 ' B' ' 116' ' ' VAL . 1.0 OUTLIER -53.3 -39.0 63.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.946 179.876 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 70.9 t -68.39 -38.22 79.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.063 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 122' ' ' VAL . . . . . 0.723 HG23 ' O ' ' B' ' 118' ' ' ILE . 99.7 t -68.28 -55.68 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.133 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 123' ' ' VAL . . . . . 0.478 HG21 HD23 ' A' ' 20' ' ' LEU . 16.2 m -46.89 -44.5 7.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.156 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 124' ' ' LEU . . . . . 0.458 HD23 ' HA ' ' B' ' 124' ' ' LEU . 12.5 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.939 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 141' ' ' LYS . . . . . . . . . . . . . 19.4 mtpt . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.732 0.301 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 142' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -76.92 -5.23 47.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.002 0.43 . . . . 0.0 110.962 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 143' ' ' THR . . . . . . . . . . . . . 88.2 m -54.9 -68.56 0.18 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.155 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 20.1 mmt -52.5 -51.98 56.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.51 -36.44 55.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.821 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 146' ' ' ARG . . . . . . . . . . . . . 13.9 tpt85 -81.24 -23.62 37.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 147' ' ' LEU . . . . . . . . . . . . . 37.4 mt -71.7 -16.68 62.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 148' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -57.68 -22.85 48.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.947 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -83.13 -18.75 38.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -73.23 -30.48 63.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 44.7 p -53.42 -27.55 25.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.131 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 152' ' ' GLU . . . . . 0.529 ' CG ' HD22 ' B' ' 153' ' ' LEU . 18.3 pt-20 -55.0 -26.6 37.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.895 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 153' ' ' LEU . . . . . 0.529 HD22 ' CG ' ' B' ' 152' ' ' GLU . 4.3 mm? -73.89 -28.96 61.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.928 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 3.1 m -114.66 22.3 5.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.079 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 155' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 121.586 0.708 . . . . 0.0 110.888 -179.98 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.099 0 CA-C-O 120.781 0.324 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -158.27 167.05 30.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 8.3 tp60 -99.05 171.92 7.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 16.4 mmt180 63.66 61.16 1.02 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.946 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -135.91 33.26 2.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.125 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.1 m -90.72 114.4 61.17 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.611 0.72 . . . . 0.0 110.941 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 -45.66 1.53 Allowed 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.715 2.277 . . . . 0.0 112.361 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.7 mp -59.56 -55.17 37.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.898 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.613 ' HA ' HD12 ' A' ' 12' ' ' ILE . 43.4 p -53.94 -30.44 46.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.178 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 57.2 m -73.68 -31.85 63.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.857 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.652 ' O ' HG23 ' A' ' 15' ' ' VAL . 39.6 mm -79.96 -38.86 19.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.138 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.613 HD12 ' HA ' ' A' ' 9' ' ' THR . 21.9 mt -60.62 -44.59 97.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.184 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.7 m -70.14 -32.59 70.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.835 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.98 -42.41 63.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.075 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 11' ' ' ILE . 75.5 t -62.17 -61.75 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.772 ' HA ' HD12 ' A' ' 19' ' ' LEU . 64.3 t -47.67 -46.3 11.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.16 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -50.13 -57.96 9.39 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.451 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.724 ' O ' HG23 ' A' ' 22' ' ' VAL . 43.8 mt -62.16 -35.25 67.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.862 0.363 . . . . 0.0 111.108 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.772 HD12 ' HA ' ' A' ' 16' ' ' VAL . 63.1 mt -59.08 -54.47 46.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.506 HD12 HG12 ' A' ' 16' ' ' VAL . 1.0 OUTLIER -54.16 -39.03 66.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 179.915 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 63.9 t -68.97 -38.09 78.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.077 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 18' ' ' ILE . 93.1 t -68.6 -55.12 17.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.836 ' O ' HG23 ' A' ' 27' ' ' VAL . 18.0 m -47.56 -44.23 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.181 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.456 HD23 ' HA ' ' A' ' 24' ' ' LEU . 12.7 mt -58.67 -58.54 8.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -44.42 -36.2 4.25 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.449 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 84.4 t -74.96 -40.78 45.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.829 0.347 . . . . 0.0 111.139 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.836 HG23 ' O ' ' A' ' 23' ' ' VAL . 17.6 t -64.31 -38.64 83.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -67.99 -52.28 37.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.219 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.478 -179.98 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.987 0.422 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 96.2 m -52.3 -47.98 65.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.128 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.409 ' HG2' HD13 ' B' ' 147' ' ' LEU . 11.9 mtt -62.81 -43.28 99.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.825 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.49 -39.27 57.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.85 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 20.0 tpt180 -81.73 -23.64 36.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.835 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 19.1 mt -69.28 -24.11 63.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.404 HD23 ' O ' ' A' ' 44' ' ' MET . 4.3 mm? -58.48 -22.89 56.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.007 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -80.6 -16.28 54.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.959 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -67.79 -30.34 69.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 24.0 p -51.21 -30.43 17.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.148 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.53 ' CG ' HD22 ' A' ' 53' ' ' LEU . 14.0 pt-20 -54.18 -31.44 52.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.53 HD22 ' CG ' ' A' ' 52' ' ' GLU . 4.3 mm? -67.52 -30.21 69.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.927 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.3 m -114.1 21.59 6.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.155 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -123.47 68.19 39.52 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.696 0.76 . . . . 0.0 110.89 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.232 0.2 0 C-N-CA 122.644 2.229 . . . . 0.0 112.391 179.982 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 116' ' ' VAL . . . . . 0.732 ' HA ' HD12 ' B' ' 119' ' ' LEU . 66.3 t . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.862 0.363 . . . . 0.0 111.11 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -50.22 -58.08 9.31 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.487 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 118' ' ' ILE . . . . . 0.714 ' O ' HG23 ' B' ' 122' ' ' VAL . 43.7 mt -61.76 -35.44 67.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.894 0.378 . . . . 0.0 111.105 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 119' ' ' LEU . . . . . 0.732 HD12 ' HA ' ' B' ' 116' ' ' VAL . 64.6 mt -58.97 -54.77 43.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 120' ' ' LEU . . . . . 0.493 HD12 HG12 ' B' ' 116' ' ' VAL . 1.0 OUTLIER -53.64 -39.23 64.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 179.935 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 66.0 t -68.53 -38.32 78.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.108 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 122' ' ' VAL . . . . . 0.714 HG23 ' O ' ' B' ' 118' ' ' ILE . 86.5 t -68.34 -55.55 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.189 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 123' ' ' VAL . . . . . 0.466 HG21 HD23 ' A' ' 20' ' ' LEU . 17.2 m -47.03 -44.42 7.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.122 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 124' ' ' LEU . . . . . 0.455 HD23 ' HA ' ' B' ' 124' ' ' LEU . 12.5 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.949 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 141' ' ' LYS . . . . . . . . . . . . . 34.6 mmtm . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.736 0.303 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 142' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -80.9 -26.11 37.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 143' ' ' THR . . . . . . . . . . . . . 98.9 m -52.22 -48.75 64.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.141 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 12.3 mtt -63.47 -44.15 95.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.835 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.02 -39.06 58.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.855 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 146' ' ' ARG . . . . . . . . . . . . . 19.8 tpt180 -81.61 -23.62 36.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 147' ' ' LEU . . . . . 0.409 HD13 ' HG2' ' A' ' 44' ' ' MET . 19.5 mt -69.03 -24.08 64.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 148' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -58.47 -22.9 56.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -80.46 -16.31 54.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -67.82 -30.15 69.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.832 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 23.9 p -51.02 -30.52 15.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.149 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 152' ' ' GLU . . . . . 0.529 ' CG ' HD22 ' B' ' 153' ' ' LEU . 14.1 pt-20 -54.45 -31.43 55.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.846 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 153' ' ' LEU . . . . . 0.529 HD22 ' CG ' ' B' ' 152' ' ' GLU . 4.3 mm? -67.6 -29.73 69.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 3.2 m -114.24 21.22 6.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.149 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 155' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 . . . . . 0 C--N 1.33 -0.279 0 CA-C-O 121.678 0.752 . . . . 0.0 110.851 -179.948 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.769 0.319 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -148.67 175.49 11.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.874 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -112.29 -175.57 2.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 13.0 ptt-85 38.28 54.14 1.75 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -122.87 25.65 8.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.108 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 m -83.7 113.89 50.17 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.648 0.737 . . . . 0.0 110.902 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -40.67 4.97 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.691 2.26 . . . . 0.0 112.303 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -63.67 -55.25 24.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.952 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.783 ' HA ' HD12 ' A' ' 12' ' ' ILE . 68.8 p -53.68 -31.01 46.09 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.174 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 49.6 m -72.86 -33.53 66.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.604 ' O ' HG23 ' A' ' 15' ' ' VAL . 37.5 mm -79.87 -33.75 14.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.139 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.783 HD12 ' HA ' ' A' ' 9' ' ' THR . 24.7 mt -63.69 -43.34 98.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.089 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.1 p -72.83 -30.12 63.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.798 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.81 -45.72 34.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.143 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 11' ' ' ILE . 78.4 t -60.47 -62.82 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.078 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.757 HG13 HG13 ' B' ' 116' ' ' VAL . 56.3 t -48.87 -47.07 16.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.124 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.461 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -47.15 -56.55 7.76 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.528 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.684 ' O ' HG23 ' A' ' 22' ' ' VAL . 39.7 mt -65.34 -34.59 71.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.878 0.37 . . . . 0.0 111.091 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.4 mt -57.92 -52.33 65.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.953 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.556 HD12 HG12 ' A' ' 16' ' ' VAL . 0.9 OUTLIER -58.18 -43.03 87.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 179.905 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 17' ' ' GLY . 47.9 t -67.15 -26.88 37.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.115 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.684 HG23 ' O ' ' A' ' 18' ' ' ILE . 43.3 t -75.66 -54.32 14.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.139 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.669 ' O ' HG23 ' A' ' 27' ' ' VAL . 5.2 m -49.51 -46.41 20.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.156 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.452 HD21 HD23 ' B' ' 124' ' ' LEU . 13.2 mt -61.65 -52.28 65.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -45.66 -38.14 7.28 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.499 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 94.6 t -72.04 -40.21 67.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.879 0.371 . . . . 0.0 111.137 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 23' ' ' VAL . 13.8 t -67.39 -43.1 87.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -61.23 -50.78 71.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.902 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.244 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.495 -179.985 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.978 0.418 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 65.7 m -55.3 -74.38 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.078 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 13.1 mmm -52.95 -48.66 67.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.874 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.66 -32.58 52.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.0 tpp180 -82.16 -23.55 35.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.478 HD22 ' SD ' ' B' ' 144' ' ' MET . 51.2 mt -75.06 -17.68 60.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -58.41 -22.76 55.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.98 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -80.4 -15.92 55.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.972 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -77.43 -22.41 51.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 45.1 p -52.13 -29.04 20.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.526 ' CG ' HD22 ' A' ' 53' ' ' LEU . 15.0 pt-20 -54.95 -26.9 39.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.526 HD22 ' CG ' ' A' ' 52' ' ' GLU . 4.3 mm? -74.18 -28.9 61.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.905 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.0 m -114.5 21.44 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.07 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -84.24 162.15 52.46 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.577 0.703 . . . . 0.0 110.912 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.232 0.223 0 C-N-CA 122.694 2.263 . . . . 0.0 112.332 179.999 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 116' ' ' VAL . . . . . 0.757 HG13 HG13 ' A' ' 16' ' ' VAL . 57.9 t . . . . . 0 N--CA 1.458 -0.048 0 CA-C-O 120.87 0.367 . . . . 0.0 111.092 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 117' ' ' GLY . . . . . 0.47 ' O ' HG23 ' B' ' 121' ' ' VAL . . . -47.14 -56.29 7.99 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.462 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 118' ' ' ILE . . . . . 0.702 ' O ' HG23 ' B' ' 122' ' ' VAL . 41.5 mt -65.2 -34.6 71.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.835 0.35 . . . . 0.0 111.171 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 12.5 mt -57.95 -52.99 63.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.913 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 120' ' ' LEU . . . . . 0.514 HD12 HG12 ' B' ' 116' ' ' VAL . 1.0 OUTLIER -57.53 -43.01 84.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 121' ' ' VAL . . . . . 0.47 HG23 ' O ' ' B' ' 117' ' ' GLY . 47.9 t -66.44 -27.96 41.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 122' ' ' VAL . . . . . 0.702 HG23 ' O ' ' B' ' 118' ' ' ILE . 49.0 t -74.05 -55.51 12.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.15 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 123' ' ' VAL . . . . . 0.43 HG21 HD23 ' A' ' 20' ' ' LEU . 4.4 m -48.57 -46.36 14.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.117 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 124' ' ' LEU . . . . . 0.455 HD23 ' HA ' ' B' ' 124' ' ' LEU . 12.4 mt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.024 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 141' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.83 0.347 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 142' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -58.55 -24.98 61.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.894 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 143' ' ' THR . . . . . . . . . . . . . 66.9 m -52.0 -65.74 0.5 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.079 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 144' ' ' MET . . . . . 0.478 ' SD ' HD22 ' A' ' 47' ' ' LEU . 8.8 mmm -49.84 -49.26 49.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.82 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -52.9 -35.2 57.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.818 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 146' ' ' ARG . . . . . . . . . . . . . 15.1 tpp180 -82.3 -23.4 35.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.868 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 147' ' ' LEU . . . . . . . . . . . . . 52.3 mt -72.77 -16.55 61.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.96 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 148' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -57.73 -22.9 49.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -80.67 -16.86 52.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -78.26 -21.23 50.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 45.8 p -51.38 -29.86 17.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.172 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 152' ' ' GLU . . . . . 0.54 ' CG ' HD22 ' B' ' 153' ' ' LEU . 15.0 pt-20 -55.07 -27.05 41.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 153' ' ' LEU . . . . . 0.54 HD22 ' CG ' ' B' ' 152' ' ' GLU . 4.3 mm? -74.43 -28.68 61.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 3.0 m -114.3 22.06 5.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.131 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 155' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 . . . . . 0 C--N 1.33 -0.257 0 CA-C-O 121.605 0.716 . . . . 0.0 110.861 -179.93 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.742 0.305 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -162.23 163.73 28.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.906 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -95.89 -175.57 3.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.97 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.5 mtp-105 57.74 48.56 13.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.783 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -129.07 29.17 5.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.07 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.8 m -87.11 114.3 57.8 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.654 0.74 . . . . 0.0 110.779 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.79 -43.01 2.88 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.743 2.296 . . . . 0.0 112.261 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.92 -55.06 33.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.58 ' HA ' HD12 ' A' ' 12' ' ' ILE . 48.7 p -54.92 -27.44 43.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.059 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 68.6 m -75.01 -34.56 61.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.863 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.678 ' O ' HG23 ' A' ' 15' ' ' VAL . 42.7 mm -77.05 -40.74 30.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.136 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.58 HD12 ' HA ' ' A' ' 9' ' ' THR . 17.8 mt -59.96 -44.59 94.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.174 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.2 m -67.08 -33.85 76.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.817 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.97 -42.62 63.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.144 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.678 HG23 ' O ' ' A' ' 11' ' ' ILE . 97.6 t -61.19 -55.32 25.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.091 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.71 HG13 HG13 ' B' ' 116' ' ' VAL . 60.8 t -51.64 -52.39 21.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.172 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.569 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -46.19 -53.99 8.8 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.49 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.689 ' O ' HG23 ' A' ' 22' ' ' VAL . 39.0 mt -67.77 -34.01 65.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.915 0.388 . . . . 0.0 111.17 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.661 ' CD1' HG12 ' A' ' 15' ' ' VAL . 33.5 mt -58.91 -51.05 71.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.449 HD12 HG12 ' A' ' 16' ' ' VAL . 1.3 mt -60.16 -41.72 93.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.937 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 17' ' ' GLY . 46.0 t -67.88 -27.69 38.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.1 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.689 HG23 ' O ' ' A' ' 18' ' ' ILE . 42.5 t -74.92 -54.93 13.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.099 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.622 ' O ' HG23 ' A' ' 27' ' ' VAL . 5.0 m -49.22 -47.83 18.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.223 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.445 HD23 HD21 ' B' ' 124' ' ' LEU . 13.3 mt -59.53 -51.38 70.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.933 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -46.41 -39.12 9.7 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.525 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 90.9 t -70.66 -39.21 75.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.891 0.377 . . . . 0.0 111.137 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 23' ' ' VAL . 11.2 t -68.59 -43.54 83.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.214 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -61.37 -51.96 66.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.486 -179.955 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.946 0.403 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 96.5 m -55.72 -59.3 5.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.169 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.451 ' O ' HD23 ' A' ' 48' ' ' LEU . 0.9 OUTLIER -51.52 -40.82 60.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 179.889 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.19 -33.75 54.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.813 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 28.4 tpt180 -82.32 -33.63 28.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.22 -36.5 83.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.946 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.451 HD23 ' O ' ' A' ' 44' ' ' MET . 4.1 mm? -56.91 -24.51 52.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -84.45 -21.66 30.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -73.88 -24.18 59.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 45.6 p -51.9 -29.02 18.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.178 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.55 ' CG ' HD22 ' A' ' 53' ' ' LEU . 16.2 pt-20 -54.97 -26.69 38.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.55 HD22 ' CG ' ' A' ' 52' ' ' GLU . 4.3 mm? -74.7 -28.91 61.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.947 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.1 m -114.63 23.11 5.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.152 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -84.93 162.13 50.69 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.605 0.717 . . . . 0.0 110.933 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.233 0.239 0 C-N-CA 122.659 2.239 . . . . 0.0 112.37 -179.972 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 116' ' ' VAL . . . . . 0.71 HG13 HG13 ' A' ' 16' ' ' VAL . 57.5 t . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.872 0.368 . . . . 0.0 111.152 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 117' ' ' GLY . . . . . 0.535 ' O ' HG23 ' B' ' 121' ' ' VAL . . . -44.95 -54.89 6.63 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.489 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 118' ' ' ILE . . . . . 0.681 ' O ' HG23 ' B' ' 122' ' ' VAL . 36.1 mt -66.62 -34.61 71.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.899 0.381 . . . . 0.0 111.118 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 119' ' ' LEU . . . . . 0.649 HD12 ' HA ' ' B' ' 116' ' ' VAL . 35.5 mt -58.65 -51.28 70.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 120' ' ' LEU . . . . . 0.475 HD12 HG12 ' B' ' 116' ' ' VAL . 1.2 mt -59.2 -41.98 89.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 121' ' ' VAL . . . . . 0.535 HG23 ' O ' ' B' ' 117' ' ' GLY . 43.3 t -68.26 -27.19 36.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.077 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 122' ' ' VAL . . . . . 0.681 HG23 ' O ' ' B' ' 118' ' ' ILE . 47.1 t -76.61 -53.58 14.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.085 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 123' ' ' VAL . . . . . 0.424 HG23 ' N ' ' B' ' 124' ' ' LEU . 6.0 m -49.75 -47.62 21.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.174 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 124' ' ' LEU . . . . . 0.445 HD21 HD23 ' A' ' 24' ' ' LEU . 13.3 mt . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 141' ' ' LYS . . . . . . . . . . . . . 19.7 mttt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.818 0.342 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 142' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -82.86 -15.22 52.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.943 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 143' ' ' THR . . . . . . . . . . . . . 98.8 m -53.56 -62.06 1.9 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.199 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 144' ' ' MET . . . . . 0.451 ' O ' HD23 ' B' ' 148' ' ' LEU . 0.7 OUTLIER -50.94 -41.28 58.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.842 179.928 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.73 -33.63 56.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.808 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 146' ' ' ARG . . . . . . . . . . . . . 28.3 tpt180 -82.27 -34.05 28.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 147' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.11 -37.03 83.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 148' ' ' LEU . . . . . 0.451 HD23 ' O ' ' B' ' 144' ' ' MET . 4.1 mm? -56.82 -25.33 55.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.848 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -84.56 -21.83 30.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.901 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -73.88 -24.25 59.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.96 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 45.4 p -51.61 -29.75 18.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 152' ' ' GLU . . . . . 0.561 ' CG ' HD22 ' B' ' 153' ' ' LEU . 16.2 pt-20 -55.27 -26.64 41.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.879 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 153' ' ' LEU . . . . . 0.561 HD22 ' CG ' ' B' ' 152' ' ' GLU . 4.3 mm? -74.71 -28.38 60.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 2.9 m -114.42 23.05 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.083 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 155' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 . . . . . 0 C--N 1.33 -0.273 0 CA-C-O 121.667 0.746 . . . . 0.0 110.89 -179.983 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.747 0.308 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -159.36 170.01 22.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -100.92 -179.76 4.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.943 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.1 mtt180 59.25 53.64 5.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.821 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -132.79 31.4 3.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.107 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m -90.16 114.71 61.94 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.699 0.761 . . . . 0.0 110.885 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -43.9 2.4 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.699 2.266 . . . . 0.0 112.275 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.1 mt -62.56 -54.69 35.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.885 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.559 ' HA ' HD12 ' A' ' 12' ' ' ILE . 31.1 p -53.81 -28.83 37.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.096 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 70.0 m -74.0 -34.1 64.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.867 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.685 ' O ' HG23 ' A' ' 15' ' ' VAL . 41.9 mm -76.82 -40.95 32.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.095 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.559 HD12 ' HA ' ' A' ' 9' ' ' THR . 21.4 mt -59.38 -45.24 93.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.112 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 13.6 t -66.53 -34.49 78.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.831 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.73 -42.64 63.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.121 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 11' ' ' ILE . 94.7 t -60.48 -55.84 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.088 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.714 HG13 HG13 ' B' ' 116' ' ' VAL . 60.3 t -51.58 -52.68 19.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.123 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.546 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -45.18 -54.53 7.09 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.526 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.651 ' O ' HG23 ' A' ' 22' ' ' VAL . 34.9 mt -67.86 -33.97 64.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.84 0.352 . . . . 0.0 111.068 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.665 ' CD1' HG12 ' A' ' 15' ' ' VAL . 33.6 mt -58.61 -50.64 73.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.469 HD12 HG12 ' A' ' 16' ' ' VAL . 1.3 mt -60.78 -42.2 97.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.882 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 17' ' ' GLY . 43.7 t -68.56 -27.52 36.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.135 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.651 HG23 ' O ' ' A' ' 18' ' ' ILE . 36.8 t -75.7 -53.09 16.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.15 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.697 ' O ' HG23 ' A' ' 27' ' ' VAL . 6.5 m -50.7 -47.53 28.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.14 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.442 HD23 ' HA ' ' A' ' 24' ' ' LEU . 13.3 mt -61.97 -52.25 64.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -45.56 -38.64 7.35 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.435 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 87.8 t -71.61 -40.47 71.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.859 0.361 . . . . 0.0 111.123 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.697 HG23 ' O ' ' A' ' 23' ' ' VAL . 11.1 t -67.57 -44.15 86.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.052 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -60.38 -51.55 69.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.262 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.442 -179.987 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.989 0.423 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 75.1 m -53.36 -44.26 68.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.095 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 9.8 mmt -85.42 -49.77 7.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.818 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.75 -30.41 22.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.1 tpp180 -82.01 -31.23 31.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.834 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.8 mt -67.75 -20.06 65.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -57.81 -23.34 52.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -77.36 -18.96 56.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -73.01 -24.08 60.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.858 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.974 HG22 HD11 ' B' ' 148' ' ' LEU . 76.2 p -54.26 -28.29 40.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.16 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -60.74 -19.1 58.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -88.5 -24.63 22.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.952 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.561 HG11 ' CD ' ' B' ' 145' ' ' ARG . 2.6 m -116.93 25.35 4.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.11 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.428 ' HB2' ' HD2' ' A' ' 56' ' ' PRO . 3.6 pt-20 -146.64 160.04 42.48 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.647 0.736 . . . . 0.0 110.834 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.428 ' HD2' ' HB2' ' A' ' 55' ' ' GLU . 54.6 Cg_endo . . . . . 0 C--O 1.232 0.213 0 C-N-CA 122.688 2.259 . . . . 0.0 112.381 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 116' ' ' VAL . . . . . 0.714 HG13 HG13 ' A' ' 16' ' ' VAL . 59.5 t . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.905 0.383 . . . . 0.0 111.147 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 117' ' ' GLY . . . . . 0.544 ' O ' HG23 ' B' ' 121' ' ' VAL . . . -45.42 -54.64 7.32 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.441 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 118' ' ' ILE . . . . . 0.655 ' O ' HG23 ' B' ' 122' ' ' VAL . 35.2 mt -67.65 -33.86 64.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.934 0.397 . . . . 0.0 111.122 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 119' ' ' LEU . . . . . 0.602 HD12 ' HA ' ' B' ' 116' ' ' VAL . 33.8 mt -58.69 -50.78 72.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 120' ' ' LEU . . . . . 0.473 HD12 HG12 ' B' ' 116' ' ' VAL . 1.3 mt -60.49 -42.32 96.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.949 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 121' ' ' VAL . . . . . 0.544 HG23 ' O ' ' B' ' 117' ' ' GLY . 43.6 t -68.31 -27.58 37.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.086 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 122' ' ' VAL . . . . . 0.655 HG23 ' O ' ' B' ' 118' ' ' ILE . 37.3 t -75.45 -53.37 16.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.156 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 123' ' ' VAL . . . . . 0.423 HG23 ' N ' ' B' ' 124' ' ' LEU . 5.9 m -50.55 -47.5 27.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.15 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 124' ' ' LEU . . . . . 0.423 ' N ' HG23 ' B' ' 123' ' ' VAL . 13.3 mt . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.934 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 141' ' ' LYS . . . . . . . . . . . . . 21.7 mtpt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.821 0.344 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 142' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -62.91 -23.55 67.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 143' ' ' THR . . . . . . . . . . . . . 51.7 m -53.09 -38.95 63.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.202 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 6.7 mmt -78.12 -51.41 10.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.865 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 145' ' ' ARG . . . . . 0.561 ' CD ' HG11 ' A' ' 54' ' ' VAL . 0.3 OUTLIER -52.24 -30.23 26.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 -179.88 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 146' ' ' ARG . . . . . . . . . . . . . 15.9 tpp180 -82.16 -31.2 30.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 147' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' B' ' 147' ' ' LEU . 15.0 mt -67.24 -18.44 65.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 148' ' ' LEU . . . . . 0.974 HD11 HG22 ' A' ' 51' ' ' THR . 4.3 mm? -58.02 -22.88 51.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.977 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -77.22 -18.8 57.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.953 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -75.04 -22.7 58.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 82.4 p -54.58 -27.59 40.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.18 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -63.11 -17.9 62.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.868 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -90.7 -24.1 20.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.87 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 2.3 m -116.12 21.11 6.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.153 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 155' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 121.588 0.709 . . . . 0.0 110.87 -179.976 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.729 0.3 . . . . 0.0 111.08 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -123.69 -167.47 1.63 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.827 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.31 -65.54 1.18 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.94 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 18.5 ptt85 -106.13 106.99 17.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.99 35.73 1.94 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.047 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 m -87.38 114.28 57.95 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.675 0.75 . . . . 0.0 110.869 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -41.01 4.57 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.658 2.239 . . . . 0.0 112.371 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -64.74 -54.48 30.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.649 ' HA ' HD12 ' A' ' 12' ' ' ILE . 35.1 p -54.36 -28.19 41.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.109 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 65.5 m -74.0 -35.32 64.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.922 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.674 ' O ' HG23 ' A' ' 15' ' ' VAL . 44.0 mm -76.66 -40.34 32.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.151 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.666 ' O ' HG23 ' A' ' 16' ' ' VAL . 17.3 mt -59.7 -42.98 90.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.095 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 63.6 m -68.05 -35.92 79.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.66 -43.75 65.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.14 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.674 HG23 ' O ' ' A' ' 11' ' ' ILE . 96.8 t -59.64 -54.12 38.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.141 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.708 HG13 HG13 ' B' ' 116' ' ' VAL . 61.3 t -51.78 -55.05 10.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.091 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.445 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -43.99 -54.69 5.95 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.451 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.662 ' O ' HG23 ' A' ' 22' ' ' VAL . 33.0 mt -67.52 -34.13 66.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.881 0.372 . . . . 0.0 111.138 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.657 ' CD1' HG12 ' A' ' 15' ' ' VAL . 31.6 mt -58.57 -50.83 72.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.873 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.434 HD12 HG12 ' A' ' 16' ' ' VAL . 1.4 mt -60.27 -42.45 95.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.998 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 17' ' ' GLY . 59.9 t -68.22 -27.22 36.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.193 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 18' ' ' ILE . 39.1 t -76.17 -53.75 14.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.618 ' O ' HG23 ' A' ' 27' ' ' VAL . 5.7 m -49.85 -48.18 22.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.055 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.441 HD23 ' HA ' ' A' ' 24' ' ' LEU . 12.6 mt -59.88 -52.33 65.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -45.95 -39.51 8.93 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.536 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 96.3 t -69.73 -39.97 78.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.838 0.351 . . . . 0.0 111.076 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 23' ' ' VAL . 15.7 t -67.42 -43.7 87.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.153 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -61.62 -52.29 64.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.934 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.452 179.987 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.935 0.397 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 96.9 m -53.79 -58.35 7.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.066 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.426 ' O ' HD23 ' A' ' 48' ' ' LEU . 6.7 mtt -58.99 -38.31 78.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -54.34 -36.34 63.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.86 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.8 tpp180 -74.12 -25.74 59.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.81 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -76.17 -25.81 55.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.642 HD11 ' CG2' ' B' ' 151' ' ' THR . 4.4 mm? -62.07 -25.25 67.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.954 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -84.18 -19.9 33.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.423 ' HG3' ' HE1' ' B' ' 144' ' ' MET . 40.5 mm-40 -75.29 -22.58 57.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.631 ' CG2' HD11 ' B' ' 148' ' ' LEU . 40.1 p -51.43 -29.71 16.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.153 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -54.18 -27.71 35.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.891 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -72.87 -31.38 64.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.898 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.5 m -112.91 23.95 4.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -86.41 161.99 46.96 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.657 0.741 . . . . 0.0 110.84 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.196 0 C-N-CA 122.747 2.298 . . . . 0.0 112.324 -179.957 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 116' ' ' VAL . . . . . 0.708 HG13 HG13 ' A' ' 16' ' ' VAL . 61.6 t . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.92 0.39 . . . . 0.0 111.112 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 117' ' ' GLY . . . . . 0.448 ' O ' HG23 ' B' ' 121' ' ' VAL . . . -44.13 -54.36 6.21 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.454 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 118' ' ' ILE . . . . . 0.661 ' O ' HG23 ' B' ' 122' ' ' VAL . 33.3 mt -67.93 -33.81 63.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.898 0.38 . . . . 0.0 111.136 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 119' ' ' LEU . . . . . 0.544 HD12 ' HA ' ' B' ' 116' ' ' VAL . 30.5 mt -58.87 -50.6 73.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.882 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 120' ' ' LEU . . . . . 0.455 HD12 HG12 ' B' ' 116' ' ' VAL . 1.3 mt -60.58 -42.49 96.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 121' ' ' VAL . . . . . 0.448 HG23 ' O ' ' B' ' 117' ' ' GLY . 58.3 t -68.0 -27.07 36.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.157 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 122' ' ' VAL . . . . . 0.661 HG23 ' O ' ' B' ' 118' ' ' ILE . 38.4 t -75.88 -54.39 13.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.103 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 123' ' ' VAL . . . . . 0.425 HG23 ' N ' ' B' ' 124' ' ' LEU . 5.2 m -49.53 -48.41 19.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 124' ' ' LEU . . . . . 0.425 ' N ' HG23 ' B' ' 123' ' ' VAL . 12.3 mt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 141' ' ' LYS . . . . . . . . . . . . . 14.7 tttt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.771 0.32 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 142' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -92.27 14.4 16.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.893 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 143' ' ' THR . . . . . . . . . . . . . 97.5 m -56.27 -60.95 2.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.173 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 144' ' ' MET . . . . . 0.423 ' HE1' ' HG3' ' A' ' 50' ' ' GLU . 7.1 mtt -60.51 -37.52 81.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.921 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -54.31 -36.14 63.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 146' ' ' ARG . . . . . . . . . . . . . 16.9 tpp180 -74.4 -25.72 59.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 147' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -75.8 -25.4 56.35 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 148' ' ' LEU . . . . . 0.631 HD11 ' CG2' ' A' ' 51' ' ' THR . 4.4 mm? -62.3 -25.43 67.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.96 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 22.1 mm-40 -84.23 -19.63 33.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.985 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -75.39 -22.65 57.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 151' ' ' THR . . . . . 0.642 ' CG2' HD11 ' A' ' 48' ' ' LEU . 38.9 p -51.09 -30.02 14.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.187 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -54.4 -27.76 38.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.815 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -72.84 -31.04 64.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 3.5 m -112.97 24.21 4.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 155' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 . . . . . 0 C--N 1.329 -0.311 0 CA-C-O 121.66 0.743 . . . . 0.0 110.897 -179.978 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.059 0 CA-C-O 120.754 0.311 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -150.91 163.94 37.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.841 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -84.31 -175.22 5.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.972 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 18.3 mmt85 56.24 57.41 5.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.86 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -134.43 32.36 3.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.057 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.455 ' CB ' ' HG1' ' A' ' 9' ' ' THR . 11.5 t -93.75 114.25 62.56 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.694 0.759 . . . . 0.0 110.847 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -44.38 2.14 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.741 2.294 . . . . 0.0 112.335 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.4 mt -58.63 -55.33 36.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.674 ' HA ' HD12 ' A' ' 12' ' ' ILE . 70.6 p -55.55 -29.03 58.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.174 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 54.7 m -74.03 -32.64 63.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.918 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.67 ' O ' HG23 ' A' ' 15' ' ' VAL . 41.5 mm -79.41 -38.6 19.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.166 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.674 HD12 ' HA ' ' A' ' 9' ' ' THR . 18.6 mt -60.97 -44.66 98.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.108 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 83.1 p -69.64 -32.5 71.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.99 -42.55 63.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.121 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 11' ' ' ILE . 83.8 t -61.92 -62.2 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.767 ' HA ' HD12 ' A' ' 19' ' ' LEU . 62.4 t -47.26 -46.57 9.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.11 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -49.97 -58.09 9.05 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.502 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.728 ' O ' HG23 ' A' ' 22' ' ' VAL . 41.3 mt -62.01 -34.88 65.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.819 0.342 . . . . 0.0 111.123 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.767 HD12 ' HA ' ' A' ' 16' ' ' VAL . 63.5 mt -59.63 -54.39 46.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.925 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.515 HD12 HG12 ' A' ' 16' ' ' VAL . 1.0 OUTLIER -53.99 -38.57 65.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.955 179.855 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 64.7 t -68.93 -39.24 79.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.096 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 18' ' ' ILE . 92.4 t -68.08 -55.03 18.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.064 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.843 ' O ' HG23 ' A' ' 27' ' ' VAL . 19.1 m -47.36 -44.28 8.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.153 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.464 HD23 ' HA ' ' A' ' 24' ' ' LEU . 12.5 mt -58.61 -58.93 6.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -44.0 -36.48 3.86 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.476 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 86.3 t -74.56 -42.27 48.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.836 0.35 . . . . 0.0 111.126 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.843 HG23 ' O ' ' A' ' 23' ' ' VAL . 16.3 t -62.77 -38.64 82.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.179 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -67.66 -55.43 13.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.413 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.509 -179.992 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.977 0.418 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 98.0 m -87.18 -60.99 1.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.086 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.434 ' O ' HD23 ' A' ' 48' ' ' LEU . 8.1 mtt -59.35 -31.83 69.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.95 -39.48 59.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.941 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.33 -29.52 34.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.88 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -69.76 -41.45 75.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.946 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.434 HD23 ' O ' ' A' ' 44' ' ' MET . 4.1 mm? -60.02 -22.75 63.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.962 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -82.62 -15.91 50.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -73.47 -24.3 60.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 24.1 p -51.09 -30.37 15.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.093 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.509 ' CG ' HD22 ' A' ' 53' ' ' LEU . 13.4 pt-20 -53.57 -33.69 55.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.509 HD22 ' CG ' ' A' ' 52' ' ' GLU . 4.3 mm? -65.12 -29.92 70.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.931 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.2 m -113.83 20.51 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.097 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.419 ' HB2' ' HD2' ' A' ' 56' ' ' PRO . 4.0 pt-20 -56.38 160.45 5.14 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.714 0.768 . . . . 0.0 110.793 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.419 ' HD2' ' HB2' ' A' ' 55' ' ' GLU . 53.6 Cg_endo . . . . . 0 C--N 1.342 0.206 0 C-N-CA 122.664 2.243 . . . . 0.0 112.29 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 116' ' ' VAL . . . . . 0.765 ' HA ' HD12 ' B' ' 119' ' ' LEU . 63.2 t . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.907 0.384 . . . . 0.0 111.173 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -49.94 -58.12 8.99 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.45 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 118' ' ' ILE . . . . . 0.715 ' O ' HG23 ' B' ' 122' ' ' VAL . 41.5 mt -61.8 -34.55 63.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.935 0.397 . . . . 0.0 111.081 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 119' ' ' LEU . . . . . 0.765 HD12 ' HA ' ' B' ' 116' ' ' VAL . 64.4 mt -60.07 -55.09 38.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.926 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 120' ' ' LEU . . . . . 0.526 HD12 HG12 ' B' ' 116' ' ' VAL . 1.0 OUTLIER -53.26 -38.38 62.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.88 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 65.8 t -68.53 -39.23 80.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 122' ' ' VAL . . . . . 0.715 HG23 ' O ' ' B' ' 118' ' ' ILE . 91.8 t -67.83 -55.48 16.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.175 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 123' ' ' VAL . . . . . 0.475 HG21 HD23 ' A' ' 20' ' ' LEU . 16.6 m -46.8 -44.78 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.152 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 124' ' ' LEU . . . . . 0.461 HD23 ' HA ' ' B' ' 124' ' ' LEU . 12.5 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 141' ' ' LYS . . . . . . . . . . . . . 54.9 tttt . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.776 0.322 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 142' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -109.54 8.95 25.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 143' ' ' THR . . . . . . . . . . . . . 85.0 m -81.36 -59.57 2.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.133 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 144' ' ' MET . . . . . 0.445 ' O ' HD23 ' B' ' 148' ' ' LEU . 6.3 mtt -57.11 -32.5 66.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.884 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.6 -38.94 61.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 146' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.17 -30.01 31.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 147' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -68.59 -41.39 79.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 148' ' ' LEU . . . . . 0.445 HD23 ' O ' ' B' ' 144' ' ' MET . 4.1 mm? -60.51 -22.81 63.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.826 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -82.39 -15.81 51.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.877 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -73.19 -24.52 60.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.808 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 25.4 p -51.6 -29.48 17.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.139 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 152' ' ' GLU . . . . . 0.505 ' HG3' HD22 ' B' ' 153' ' ' LEU . 13.5 pt-20 -53.15 -33.75 53.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 153' ' ' LEU . . . . . 0.505 HD22 ' HG3' ' B' ' 152' ' ' GLU . 4.3 mm? -65.12 -31.01 71.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.913 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 3.5 m -113.7 22.21 5.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.163 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 155' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 . . . . . 0 C--N 1.329 -0.294 0 CA-C-O 121.592 0.711 . . . . 0.0 110.931 -179.958 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.769 0.318 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -149.94 164.46 35.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -87.03 -172.66 4.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? 52.64 52.34 14.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -133.27 31.51 3.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.127 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.4 m -89.84 113.91 58.74 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.742 0.782 . . . . 0.0 110.899 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -44.8 1.87 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.669 2.246 . . . . 0.0 112.364 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -61.24 -54.99 37.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.668 ' HA ' HD12 ' A' ' 12' ' ' ILE . 34.6 p -52.71 -32.58 43.62 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.183 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 49.8 m -71.37 -33.66 69.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.813 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.688 ' O ' HG23 ' A' ' 15' ' ' VAL . 38.1 mm -75.59 -37.5 36.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.118 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.715 ' O ' HG23 ' A' ' 16' ' ' VAL . 31.0 mt -60.6 -57.98 9.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.07 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 17.2 t -57.95 -31.24 66.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.855 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.45 -42.46 61.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.149 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.688 HG23 ' O ' ' A' ' 11' ' ' ILE . 79.3 t -63.27 -57.62 11.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.095 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.906 HG13 HG13 ' B' ' 116' ' ' VAL . 3.5 t -49.49 -49.99 17.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.131 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -49.0 -56.79 9.56 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.536 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.578 ' O ' HG23 ' A' ' 22' ' ' VAL . 59.7 mt -60.4 -46.7 94.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.793 0.33 . . . . 0.0 111.08 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 80.1 mt -50.81 -51.6 49.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.758 HD12 ' O ' ' A' ' 16' ' ' VAL . 0.9 OUTLIER -54.96 -41.98 71.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 179.912 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 96.5 t -66.71 -26.08 36.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.125 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 18' ' ' ILE . 94.4 t -75.26 -56.51 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.174 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.761 ' O ' HG23 ' A' ' 27' ' ' VAL . 17.9 m -48.9 -43.57 14.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.16 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.445 HD23 ' HA ' ' A' ' 24' ' ' LEU . 13.3 mt -64.19 -51.79 62.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.849 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -45.76 -37.27 6.98 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.522 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 89.8 t -74.1 -39.74 50.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.917 0.389 . . . . 0.0 111.149 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.761 HG23 ' O ' ' A' ' 23' ' ' VAL . 11.9 t -68.4 -41.63 83.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.161 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -63.51 -47.18 82.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.857 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.466 -179.968 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.941 0.401 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 98.0 m -53.2 -53.17 54.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.1 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.666 ' HG3' HD13 ' B' ' 147' ' ' LEU . 0.0 OUTLIER -59.04 -46.59 87.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 179.891 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -51.94 -38.82 57.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 25.3 tpt180 -82.18 -23.32 35.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.643 HD13 ' HG3' ' B' ' 144' ' ' MET . 20.1 mt -69.35 -24.43 63.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.972 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.405 HD11 HG22 ' B' ' 151' ' ' THR . 4.3 mm? -58.15 -22.89 53.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -80.48 -17.69 50.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -65.74 -32.25 73.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.403 HG22 HD11 ' B' ' 148' ' ' LEU . 25.6 p -51.35 -30.03 17.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.181 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -54.57 -27.04 36.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -72.17 -30.46 65.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.5 m -113.77 21.48 6.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.197 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.422 ' HB2' ' HD2' ' A' ' 56' ' ' PRO . 3.2 pt-20 -56.45 160.3 5.44 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.659 0.742 . . . . 0.0 110.883 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.422 ' HD2' ' HB2' ' A' ' 55' ' ' GLU . 53.1 Cg_endo . . . . . 0 C--N 1.342 0.196 0 C-N-CA 122.671 2.247 . . . . 0.0 112.356 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 116' ' ' VAL . . . . . 0.906 HG13 HG13 ' A' ' 16' ' ' VAL . 4.7 t . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.856 0.36 . . . . 0.0 111.156 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -48.93 -56.56 9.83 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.487 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 118' ' ' ILE . . . . . 0.596 ' O ' HG23 ' B' ' 122' ' ' VAL . 56.9 mt -61.09 -46.27 96.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.872 0.367 . . . . 0.0 111.119 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 79.4 mt -51.02 -51.23 55.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.025 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 120' ' ' LEU . . . . . 0.767 HD12 ' O ' ' B' ' 116' ' ' VAL . 0.8 OUTLIER -54.47 -42.74 71.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.894 179.905 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 98.4 t -66.49 -26.21 37.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.106 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 122' ' ' VAL . . . . . 0.596 HG23 ' O ' ' B' ' 118' ' ' ILE . 87.4 t -76.07 -55.97 9.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.052 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 123' ' ' VAL . . . . . 0.607 HG21 HD23 ' A' ' 20' ' ' LEU . 17.4 m -48.6 -43.45 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.102 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 124' ' ' LEU . . . . . 0.427 ' N ' HG23 ' B' ' 123' ' ' VAL . 13.0 mt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 141' ' ' LYS . . . . . . . . . . . . . 19.1 mmtp . . . . . 0 N--CA 1.457 -0.11 0 CA-C-O 120.842 0.354 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 142' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -107.57 -29.07 9.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 143' ' ' THR . . . . . . . . . . . . . 95.0 m -52.55 -53.94 39.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.111 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 144' ' ' MET . . . . . 0.643 ' HG3' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -58.83 -47.15 85.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.84 179.917 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -52.23 -38.7 58.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 146' ' ' ARG . . . . . . . . . . . . . 25.4 tpt180 -82.03 -23.37 35.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 147' ' ' LEU . . . . . 0.666 HD13 ' HG3' ' A' ' 44' ' ' MET . 19.4 mt -69.35 -24.56 63.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 148' ' ' LEU . . . . . 0.403 HD11 HG22 ' A' ' 51' ' ' THR . 4.3 mm? -58.15 -22.98 53.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.967 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -80.42 -17.76 50.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.978 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -65.74 -32.24 73.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 151' ' ' THR . . . . . 0.405 HG22 HD11 ' A' ' 48' ' ' LEU . 26.3 p -51.46 -30.23 19.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.138 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -54.64 -27.28 38.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -72.32 -30.45 64.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 3.4 m -113.73 22.13 5.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.153 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 155' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 . . . . . 0 C--N 1.33 -0.269 0 CA-C-O 121.633 0.73 . . . . 0.0 110.898 -179.983 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.768 0.318 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -97.26 158.53 15.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -64.4 -69.46 0.28 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.513 ' O ' ' HB3' ' A' ' 5' ' ' ALA . 6.5 mmm180 -107.53 -72.96 0.7 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' A' ' 4' ' ' ARG . . . 72.22 30.93 1.99 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.121 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 m -89.51 112.48 51.89 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.624 0.726 . . . . 0.0 110.862 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.81 -46.65 1.13 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.67 2.246 . . . . 0.0 112.321 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.1 mt -59.67 -54.68 43.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.924 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.717 ' HA ' HD12 ' A' ' 12' ' ' ILE . 31.1 p -53.18 -31.53 43.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 59.1 m -73.15 -34.19 65.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.851 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.679 ' O ' HG23 ' A' ' 15' ' ' VAL . 41.4 mm -76.79 -40.09 31.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.098 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.717 HD12 ' HA ' ' A' ' 9' ' ' THR . 14.6 mt -59.74 -41.72 86.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.5 p -69.35 -36.3 76.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.821 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.49 -43.25 66.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.103 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 11' ' ' ILE . 97.0 t -60.07 -54.25 37.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.054 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.699 HG13 HG13 ' B' ' 116' ' ' VAL . 57.6 t -51.46 -54.94 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.085 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.587 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -44.6 -53.9 6.84 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.488 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.676 ' O ' HG23 ' A' ' 22' ' ' VAL . 36.1 mt -68.05 -33.43 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.866 0.365 . . . . 0.0 111.066 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.669 ' CD1' HG12 ' A' ' 15' ' ' VAL . 31.0 mt -59.52 -51.04 71.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.987 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.432 HD12 HG12 ' A' ' 16' ' ' VAL . 1.4 mt -60.2 -41.78 93.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 17' ' ' GLY . 44.3 t -67.66 -27.46 38.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.086 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 18' ' ' ILE . 40.0 t -74.96 -54.9 13.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.188 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.585 ' O ' HG23 ' A' ' 27' ' ' VAL . 4.4 m -49.15 -48.46 17.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.097 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.497 HD23 HD21 ' B' ' 124' ' ' LEU . 13.1 mt -58.64 -51.66 68.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.94 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -46.43 -39.06 9.71 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.472 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 94.4 t -70.17 -39.17 76.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.833 0.349 . . . . 0.0 111.08 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 23' ' ' VAL . 12.5 t -68.71 -42.6 83.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.088 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -63.72 -48.07 78.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.451 ' HA2' HD12 ' A' ' 32' ' ' ILE . . . -59.03 -40.98 96.2 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.503 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 43.0 mt -59.72 -54.48 34.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.86 0.362 . . . . 0.0 111.109 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.43 ' HA ' HD23 ' A' ' 31' ' ' LEU . 10.2 mt -49.79 -53.93 22.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.92 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.451 HD12 ' HA2' ' A' ' 29' ' ' GLY . 31.9 mt -48.88 -56.93 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.73 -23.59 65.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.855 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -81.62 -18.0 46.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.795 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.12 -38.91 10.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.956 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -58.5 -23.45 57.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.932 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -97.33 28.4 3.7 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.0 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 32.1 mmtm -80.88 151.53 28.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.401 ' O ' HG22 ' A' ' 39' ' ' ILE . 78.2 mt -63.31 -16.51 18.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.123 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -90.3 24.43 2.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.928 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -51.35 -33.33 29.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 -50.84 -38.76 50.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.026 0.441 . . . . 0.0 110.965 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 53.3 m -51.58 -52.36 47.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.14 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.571 ' HG2' HD11 ' B' ' 147' ' ' LEU . 22.2 mtt -59.44 -46.96 87.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.05 -40.79 61.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.938 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.5 tpp180 -81.26 -23.35 38.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.787 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.552 HD11 ' HG2' ' B' ' 144' ' ' MET . 17.0 mt -68.62 -26.58 65.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.427 HD23 ' O ' ' A' ' 44' ' ' MET . 4.3 mm? -58.3 -22.93 54.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -80.36 -17.18 52.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -64.89 -32.02 73.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 36.2 p -51.35 -29.93 16.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.199 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -54.45 -27.42 37.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -72.49 -30.67 64.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.958 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.5 m -113.35 23.6 4.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.1 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -124.57 69.09 53.19 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.631 0.729 . . . . 0.0 110.911 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 170.38 16.74 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.706 2.271 . . . . 0.0 112.321 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 60.1 mt -99.13 150.76 21.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.957 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 CA-C-O 119.16 -0.8 . . . . 0.0 112.514 179.89 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.089 0 CA-C-O 120.719 0.295 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -70.71 -25.55 63.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.917 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -48.09 118.99 2.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.962 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 104' ' ' ARG . . . . . 0.567 ' O ' ' HB3' ' B' ' 105' ' ' ALA . 54.6 mtt180 -48.64 -78.02 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.81 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 105' ' ' ALA . . . . . 0.567 ' HB3' ' O ' ' B' ' 104' ' ' ARG . . . 75.21 38.02 0.44 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 1.7 m -84.55 112.38 41.7 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.682 0.753 . . . . 0.0 110.866 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.65 -47.28 1.0 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.685 2.257 . . . . 0.0 112.363 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 108' ' ' LEU . . . . . 0.402 ' O ' HG13 ' B' ' 112' ' ' ILE . 6.0 mt -59.14 -54.26 48.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.969 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 109' ' ' THR . . . . . 0.753 ' HA ' HD12 ' B' ' 112' ' ' ILE . 32.0 p -53.23 -32.44 48.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.136 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 60.9 m -72.45 -34.4 67.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.809 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 111' ' ' ILE . . . . . 0.687 ' O ' HG23 ' B' ' 115' ' ' VAL . 40.9 mm -76.38 -40.1 34.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.14 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 112' ' ' ILE . . . . . 0.753 HD12 ' HA ' ' B' ' 109' ' ' THR . 12.8 mt -59.6 -40.53 82.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 6.3 p -69.88 -37.27 76.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.793 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -71.05 -43.67 67.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.128 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 115' ' ' VAL . . . . . 0.687 HG23 ' O ' ' B' ' 111' ' ' ILE . 95.5 t -59.02 -54.63 31.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.089 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 116' ' ' VAL . . . . . 0.699 HG13 HG13 ' A' ' 16' ' ' VAL . 57.5 t -51.44 -55.01 9.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.107 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 117' ' ' GLY . . . . . 0.554 ' O ' HG23 ' B' ' 121' ' ' VAL . . . -43.75 -54.34 5.87 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.437 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 118' ' ' ILE . . . . . 0.66 ' O ' HG23 ' B' ' 122' ' ' VAL . 31.7 mt -67.66 -33.62 63.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.915 0.388 . . . . 0.0 111.165 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 119' ' ' LEU . . . . . 0.667 ' CD1' HG12 ' B' ' 115' ' ' VAL . 33.4 mt -59.24 -50.72 72.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.95 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 120' ' ' LEU . . . . . 0.454 HD12 HG12 ' B' ' 116' ' ' VAL . 1.4 mt -60.25 -42.16 94.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.952 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 121' ' ' VAL . . . . . 0.554 HG23 ' O ' ' B' ' 117' ' ' GLY . 42.4 t -68.22 -27.16 36.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.18 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 122' ' ' VAL . . . . . 0.66 HG23 ' O ' ' B' ' 118' ' ' ILE . 39.8 t -76.76 -53.82 14.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.195 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 123' ' ' VAL . . . . . 0.738 ' O ' HG23 ' B' ' 127' ' ' VAL . 6.3 m -49.48 -48.45 19.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.111 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 124' ' ' LEU . . . . . 0.497 HD21 HD23 ' A' ' 24' ' ' LEU . 13.3 mt -63.51 -52.48 61.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 125' ' ' GLY . . . . . . . . . . . . . . . -45.38 -37.9 6.54 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.501 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 126' ' ' VAL . . . . . 0.434 HG12 ' CD1' ' B' ' 130' ' ' ILE . 94.1 t -72.86 -40.96 60.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.833 0.349 . . . . 0.0 111.109 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 127' ' ' VAL . . . . . 0.738 HG23 ' O ' ' B' ' 123' ' ' VAL . 12.2 t -66.7 -42.29 89.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.163 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 128' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -61.75 -51.95 66.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.846 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 129' ' ' GLY . . . . . 0.553 ' HA2' HD12 ' B' ' 132' ' ' ILE . . . -60.5 -38.21 94.51 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.446 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 130' ' ' ILE . . . . . 0.434 ' CD1' HG12 ' B' ' 126' ' ' VAL . 31.0 mt -57.99 -49.15 82.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.92 0.39 . . . . 0.0 111.133 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 131' ' ' LEU . . . . . 0.481 ' O ' ' HG2' ' B' ' 134' ' ' ARG . 11.6 mt -59.25 -46.48 88.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.928 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 132' ' ' ILE . . . . . 0.553 HD12 ' HA2' ' B' ' 129' ' ' GLY . 27.8 mt -57.36 -48.45 82.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.15 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -58.06 -45.76 86.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 134' ' ' ARG . . . . . 0.481 ' HG2' ' O ' ' B' ' 131' ' ' LEU . 3.8 ptm180 -73.5 -5.91 43.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.06 -39.58 8.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -58.49 98.22 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 52.54 51.24 16.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -152.99 89.87 1.41 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 56.9 mt -84.01 100.38 7.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.176 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 140' ' ' ARG . . . . . . . . . . . . . 48.6 mmm-85 -93.12 -11.5 32.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.828 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 141' ' ' LYS . . . . . . . . . . . . . 32.0 mmtm 56.32 32.12 19.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 142' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -51.26 -31.42 20.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 143' ' ' THR . . . . . . . . . . . . . 57.7 m -52.07 -54.57 28.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.152 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 144' ' ' MET . . . . . 0.552 ' HG2' HD11 ' A' ' 47' ' ' LEU . 23.1 mtt -58.17 -47.67 82.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.2 -40.81 62.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.93 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 146' ' ' ARG . . . . . . . . . . . . . 15.5 tpp180 -81.14 -23.25 38.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 147' ' ' LEU . . . . . 0.571 HD11 ' HG2' ' A' ' 44' ' ' MET . 17.2 mt -68.55 -26.87 65.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 148' ' ' LEU . . . . . 0.422 HD23 ' O ' ' B' ' 144' ' ' MET . 4.3 mm? -58.2 -22.92 53.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.943 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -80.66 -16.79 53.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -65.05 -31.78 73.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 36.8 p -51.19 -30.0 15.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.114 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -54.35 -27.45 36.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.945 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -72.69 -30.87 64.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.915 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 3.5 m -113.2 24.0 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.146 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 155' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -130.57 68.18 81.18 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 121.629 0.728 . . . . 0.0 110.906 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 156' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.66 170.54 16.22 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.672 2.248 . . . . 0.0 112.309 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 157' ' ' LEU . . . . . . . . . . . . . 92.1 mt -97.16 -39.29 9.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 158' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.481 179.918 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.809 0.338 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -146.87 -179.43 6.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.839 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -117.32 8.36 13.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.931 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 72.9 mtt-85 -95.0 46.09 1.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.6 37.31 1.48 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.103 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 m -76.77 114.64 40.95 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.667 0.746 . . . . 0.0 110.861 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -44.69 1.9 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.634 2.223 . . . . 0.0 112.348 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 mt -61.57 -54.61 40.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.748 ' HA ' HD12 ' A' ' 12' ' ' ILE . 34.6 p -52.69 -33.04 45.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.118 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.3 m -70.94 -34.23 71.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.871 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.693 ' O ' HG23 ' A' ' 15' ' ' VAL . 37.9 mm -74.95 -38.03 42.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.139 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.748 HD12 ' HA ' ' A' ' 9' ' ' THR . 25.8 mt -59.89 -57.9 9.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.085 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 55.8 p -57.49 -32.84 67.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.833 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.17 -41.76 66.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.083 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 11' ' ' ILE . 77.9 t -64.14 -55.7 20.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.156 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.887 HG13 ' CG1' ' B' ' 116' ' ' VAL . 4.7 t -49.65 -50.67 17.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.099 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -50.18 -56.61 12.01 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.494 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.539 ' O ' HG23 ' A' ' 22' ' ' VAL . 60.5 mt -60.81 -44.96 98.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.843 0.354 . . . . 0.0 111.102 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.3 mt -52.55 -52.07 56.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.74 HD12 ' O ' ' A' ' 16' ' ' VAL . 0.9 OUTLIER -54.0 -41.55 68.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 179.875 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 99.8 t -66.11 -27.3 40.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 18' ' ' ILE . 99.9 t -75.71 -55.42 11.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.175 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.768 ' O ' HG23 ' A' ' 27' ' ' VAL . 16.8 m -48.29 -41.92 11.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.121 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.464 HD23 ' HA ' ' A' ' 24' ' ' LEU . 12.6 mt -64.77 -52.17 58.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.937 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -46.3 -37.3 8.07 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.464 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 84.9 t -73.7 -38.56 51.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.851 0.358 . . . . 0.0 111.134 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.768 HG23 ' O ' ' A' ' 23' ' ' VAL . 15.9 t -69.2 -41.01 81.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.168 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -63.73 -49.2 73.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.839 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -61.71 -36.43 92.68 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.483 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 36.0 mt -61.27 -50.99 78.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.846 0.355 . . . . 0.0 111.122 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.452 ' HA ' ' HG2' ' A' ' 34' ' ' ARG . 10.7 mt -56.26 -51.34 68.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 30.7 mt -52.78 -41.08 37.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.139 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.78 -41.82 99.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.792 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.452 ' HG2' ' HA ' ' A' ' 31' ' ' LEU . 2.7 ptm180 -75.56 -13.01 60.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.832 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.34 -39.75 11.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -55.8 100.79 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -119.05 -40.59 2.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.9 mtmm -150.15 177.35 9.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.8 mp -50.52 103.23 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.094 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 13.2 mmt85 -121.68 18.13 11.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.847 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.62 -62.05 1.76 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.963 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -54.81 -26.58 35.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 98.9 m -51.75 -48.7 63.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.14 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.548 ' HG2' HD22 ' B' ' 147' ' ' LEU . 23.8 mtt -82.23 -43.86 17.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.23 -35.22 59.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 25.5 tpt180 -74.78 -23.64 58.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.496 HD22 ' HG2' ' B' ' 144' ' ' MET . 12.3 mt -80.43 -21.6 41.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.666 HD11 HG22 ' B' ' 151' ' ' THR . 4.2 mm? -58.54 -22.75 56.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -76.92 -8.58 57.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.905 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -81.71 -29.87 32.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.717 HG22 HD11 ' B' ' 148' ' ' LEU . 40.6 p -52.09 -28.76 18.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.127 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -56.34 -24.96 47.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.937 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -73.51 -22.74 60.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.937 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 1.6 m -115.7 13.2 7.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.55 161.75 22.07 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.64 0.733 . . . . 0.0 110.929 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 167.64 23.92 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.713 2.275 . . . . 0.0 112.298 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.3 mp -95.0 136.15 35.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.464 179.892 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.715 0.293 . . . . 0.0 111.098 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -160.59 169.95 21.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.941 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -101.45 -176.58 3.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 2.5 mmm180 57.15 50.99 10.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.866 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -132.12 31.21 4.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.099 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 1.2 m -86.69 113.98 55.69 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.649 0.738 . . . . 0.0 110.85 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -45.56 1.51 Allowed 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.692 2.261 . . . . 0.0 112.307 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 1.9 mt -60.74 -55.02 38.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.891 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 109' ' ' THR . . . . . 0.673 ' HA ' HD12 ' B' ' 112' ' ' ILE . 32.7 p -52.79 -31.96 41.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 52.5 m -71.94 -33.85 68.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.822 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 111' ' ' ILE . . . . . 0.689 ' O ' HG23 ' B' ' 115' ' ' VAL . 37.9 mm -75.36 -37.72 38.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.106 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 112' ' ' ILE . . . . . 0.673 HD12 ' HA ' ' B' ' 109' ' ' THR . 27.2 mt -60.85 -58.89 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 56.8 p -57.37 -29.64 64.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -74.54 -42.07 59.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.053 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 115' ' ' VAL . . . . . 0.689 HG23 ' O ' ' B' ' 111' ' ' ILE . 70.0 t -64.37 -57.2 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.166 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 116' ' ' VAL . . . . . 0.887 ' CG1' HG13 ' A' ' 16' ' ' VAL . 3.8 t -50.45 -49.18 24.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.147 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -49.87 -57.43 9.8 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.488 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 118' ' ' ILE . . . . . 0.558 ' O ' HG23 ' B' ' 122' ' ' VAL . 62.1 mt -60.18 -45.95 95.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.856 0.36 . . . . 0.0 111.131 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 18.2 mt -51.58 -51.45 55.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 120' ' ' LEU . . . . . 0.735 HD12 ' O ' ' B' ' 116' ' ' VAL . 0.8 OUTLIER -54.97 -41.76 71.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.936 179.877 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 96.5 t -66.58 -26.91 38.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 122' ' ' VAL . . . . . 0.558 HG23 ' O ' ' B' ' 118' ' ' ILE . 97.6 t -76.75 -54.8 12.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.12 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 123' ' ' VAL . . . . . 0.793 ' O ' HG23 ' B' ' 127' ' ' VAL . 19.0 m -48.73 -41.85 12.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.098 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 124' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' B' ' 124' ' ' LEU . 13.1 mt -65.64 -52.3 52.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 125' ' ' GLY . . . . . . . . . . . . . . . -45.64 -36.85 6.5 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.515 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 88.4 t -74.79 -39.36 45.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.916 0.388 . . . . 0.0 111.179 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 127' ' ' VAL . . . . . 0.793 HG23 ' O ' ' B' ' 123' ' ' VAL . 15.8 t -68.22 -41.51 84.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.097 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 128' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -64.29 -47.81 78.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 129' ' ' GLY . . . . . . . . . . . . . . . -63.62 -35.02 91.49 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.516 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 39.3 mt -62.39 -52.11 64.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.875 0.369 . . . . 0.0 111.175 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 131' ' ' LEU . . . . . 0.455 ' HA ' ' HG2' ' B' ' 134' ' ' ARG . 11.0 mt -56.33 -54.38 46.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.882 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 36.2 mt -50.25 -42.5 20.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.115 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -61.29 -41.82 97.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 134' ' ' ARG . . . . . 0.455 ' HG2' ' HA ' ' B' ' 131' ' ' LEU . 0.2 OUTLIER -76.46 -12.82 60.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.31 -39.34 11.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.827 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -51.58 168.65 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.929 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -61.41 -19.13 61.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 22.3 mmtp -51.5 -77.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 59.5 mt -82.66 112.09 19.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.135 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 140' ' ' ARG . . . . . . . . . . . . . 33.7 mtp180 -119.72 19.54 12.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 141' ' ' LYS . . . . . . . . . . . . . 16.8 ttmt -123.91 14.61 9.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 142' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -107.81 1.03 22.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 143' ' ' THR . . . . . . . . . . . . . 99.0 m -51.94 -56.08 16.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.153 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 144' ' ' MET . . . . . 0.496 ' HG2' HD22 ' A' ' 47' ' ' LEU . 23.5 mtt -85.53 -40.22 16.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.53 -35.74 61.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 146' ' ' ARG . . . . . . . . . . . . . 25.3 tpt180 -74.52 -23.52 58.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 147' ' ' LEU . . . . . 0.548 HD22 ' HG2' ' A' ' 44' ' ' MET . 12.3 mt -79.71 -21.73 44.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 148' ' ' LEU . . . . . 0.717 HD11 HG22 ' A' ' 51' ' ' THR . 4.3 mm? -58.86 -22.85 59.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.945 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -76.89 -8.88 58.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.938 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -80.62 -30.5 36.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 151' ' ' THR . . . . . 0.666 HG22 HD11 ' A' ' 48' ' ' LEU . 40.4 p -51.8 -29.13 17.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.131 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -55.95 -26.61 48.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -73.73 -25.41 60.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.918 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 2.7 m -116.7 21.41 6.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.102 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 155' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -133.42 68.25 76.72 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.599 0.714 . . . . 0.0 110.877 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 156' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 170.51 16.47 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.687 2.258 . . . . 0.0 112.285 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 157' ' ' LEU . . . . . . . . . . . . . 6.4 mp -88.48 -40.88 13.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 158' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.492 179.865 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.734 0.302 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -160.14 163.91 33.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.913 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -94.81 -178.14 4.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.97 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 13.6 mtp180 56.04 58.47 4.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.82 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -134.01 32.21 3.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.17 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -90.43 114.22 60.34 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-O 121.673 0.749 . . . . 0.0 110.85 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -44.44 2.07 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.701 2.267 . . . . 0.0 112.281 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.8 mt -59.42 -55.06 39.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.666 ' HA ' HD12 ' A' ' 12' ' ' ILE . 65.3 p -55.11 -29.15 57.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.182 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 56.5 m -73.95 -32.52 63.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.844 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.671 ' O ' HG23 ' A' ' 15' ' ' VAL . 41.7 mm -79.13 -38.42 20.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.083 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.74 HG21 HG21 ' B' ' 112' ' ' ILE . 19.5 mt -61.21 -44.76 98.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.156 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 88.4 p -69.26 -32.47 71.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.18 -42.56 62.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.085 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.671 HG23 ' O ' ' A' ' 11' ' ' ILE . 82.8 t -61.82 -61.68 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.127 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.767 ' HA ' HD12 ' A' ' 19' ' ' LEU . 61.6 t -47.76 -46.77 11.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.149 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -49.56 -57.92 8.86 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.504 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.735 ' O ' HG23 ' A' ' 22' ' ' VAL . 42.8 mt -61.99 -35.24 67.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.902 0.382 . . . . 0.0 111.156 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.767 HD12 ' HA ' ' A' ' 16' ' ' VAL . 62.0 mt -59.46 -54.28 48.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.967 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.534 HD12 HG12 ' A' ' 16' ' ' VAL . 1.0 OUTLIER -53.99 -38.6 65.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.963 179.823 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 67.7 t -69.05 -38.93 78.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.07 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.735 HG23 ' O ' ' A' ' 18' ' ' ILE . 96.0 t -68.15 -54.67 20.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.152 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.839 ' O ' HG23 ' A' ' 27' ' ' VAL . 18.0 m -47.77 -44.51 10.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.058 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.464 HD23 ' HA ' ' A' ' 24' ' ' LEU . 12.5 mt -58.36 -59.23 5.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.883 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -43.86 -36.63 3.75 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.432 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.402 HG12 HG13 ' A' ' 30' ' ' ILE . 93.1 t -74.41 -42.37 49.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.829 0.347 . . . . 0.0 111.122 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.839 HG23 ' O ' ' A' ' 23' ' ' VAL . 16.4 t -62.45 -39.11 83.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.161 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -67.24 -55.26 14.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.898 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -63.39 -50.94 58.48 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.448 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.402 HG13 HG12 ' A' ' 26' ' ' VAL . 8.3 mm -48.81 -63.89 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.877 0.37 . . . . 0.0 111.107 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.639 HD22 ' NH1' ' A' ' 35' ' ' ARG . 9.7 mt -47.79 -63.03 1.17 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.963 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 50.3 mt -47.02 -36.0 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.177 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.66 -37.89 85.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.422 ' HG2' ' HA ' ' A' ' 31' ' ' LEU . 2.5 ptm180 -80.44 -12.38 59.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.862 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.639 ' NH1' HD22 ' A' ' 31' ' ' LEU . 1.0 OUTLIER -100.24 -11.81 20.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.834 -179.85 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -83.17 103.57 12.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -110.77 -43.91 3.73 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.951 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.1 pttp -63.7 148.02 50.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 48.7 mt -57.74 103.7 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.105 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.6 mmt85 -103.83 19.35 20.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.904 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.7 tttp -79.93 -65.77 0.96 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -64.0 -23.59 67.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 78.7 m -54.55 -68.13 0.21 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.179 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 19.9 mmt -52.0 -52.33 51.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.864 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.36 -36.5 53.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.934 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.6 tpt85 -81.21 -23.58 38.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 35.9 mt -71.82 -16.72 62.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -57.64 -22.85 47.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.933 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -83.3 -19.12 36.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.944 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -73.54 -30.49 63.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 43.8 p -53.83 -27.12 27.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.183 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.526 ' CG ' HD22 ' A' ' 53' ' ' LEU . 18.3 pt-20 -54.98 -26.33 35.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.526 HD22 ' CG ' ' A' ' 52' ' ' GLU . 4.3 mm? -73.7 -28.88 61.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.0 m -114.74 21.37 6.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.159 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -113.71 74.06 2.32 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.607 0.718 . . . . 0.0 110.85 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.85 164.02 36.19 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.674 2.249 . . . . 0.0 112.328 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.9 mp -132.18 122.35 25.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.896 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 CA-C-O 119.13 -0.817 . . . . 0.0 112.517 179.92 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.778 0.323 . . . . 0.0 111.073 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -149.46 164.99 33.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -101.57 5.34 41.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 26.3 mmm-85 -91.86 54.36 2.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -149.03 40.83 0.89 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.102 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 106' ' ' SER . . . . . 0.462 ' CB ' ' HG1' ' B' ' 109' ' ' THR . 10.0 t -83.01 114.43 52.61 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.675 0.75 . . . . 0.0 110.87 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -41.77 3.98 Favored 'Trans proline' 0 C--O 1.233 0.246 0 C-N-CA 122.636 2.224 . . . . 0.0 112.33 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 1.3 mt -61.23 -54.73 40.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 109' ' ' THR . . . . . 0.802 ' HA ' HD12 ' B' ' 112' ' ' ILE . 80.5 p -55.45 -29.82 59.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.149 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 49.6 m -73.33 -33.46 65.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 111' ' ' ILE . . . . . 0.668 ' O ' HG23 ' B' ' 115' ' ' VAL . 40.1 mm -79.01 -38.29 20.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.173 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 112' ' ' ILE . . . . . 0.802 HD12 ' HA ' ' B' ' 109' ' ' THR . 14.3 mt -60.42 -43.57 94.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.146 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 93.0 p -70.29 -34.48 72.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.826 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -72.06 -41.6 67.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.055 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 115' ' ' VAL . . . . . 0.668 HG23 ' O ' ' B' ' 111' ' ' ILE . 71.0 t -61.7 -61.97 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.183 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 116' ' ' VAL . . . . . 0.741 ' HA ' HD12 ' B' ' 119' ' ' LEU . 67.0 t -47.28 -46.92 9.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.149 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -49.62 -58.03 8.79 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.453 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 118' ' ' ILE . . . . . 0.723 ' O ' HG23 ' B' ' 122' ' ' VAL . 44.2 mt -61.69 -35.29 66.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.915 0.388 . . . . 0.0 111.18 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 119' ' ' LEU . . . . . 0.741 HD12 ' HA ' ' B' ' 116' ' ' VAL . 66.0 mt -59.37 -54.83 42.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.882 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 120' ' ' LEU . . . . . 0.507 HD12 HG12 ' B' ' 116' ' ' VAL . 1.0 OUTLIER -53.3 -39.0 63.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.946 179.876 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 70.9 t -68.39 -38.22 79.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.063 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 122' ' ' VAL . . . . . 0.723 HG23 ' O ' ' B' ' 118' ' ' ILE . 99.7 t -68.28 -55.68 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.133 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 123' ' ' VAL . . . . . 0.834 ' O ' HG23 ' B' ' 127' ' ' VAL . 16.2 m -46.89 -44.5 7.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.156 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 124' ' ' LEU . . . . . 0.458 HD23 ' HA ' ' B' ' 124' ' ' LEU . 12.5 mt -58.46 -58.73 7.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.939 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 125' ' ' GLY . . . . . . . . . . . . . . . -44.01 -37.06 4.11 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.503 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 87.2 t -73.7 -42.24 54.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.91 0.386 . . . . 0.0 111.166 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 127' ' ' VAL . . . . . 0.834 HG23 ' O ' ' B' ' 123' ' ' VAL . 15.5 t -62.87 -39.59 85.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.171 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 128' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -66.2 -52.2 50.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.934 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 129' ' ' GLY . . . . . . . . . . . . . . . -65.75 -47.79 72.91 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.413 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 7.2 mm -50.31 -63.82 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.82 0.343 . . . . 0.0 111.152 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 131' ' ' LEU . . . . . 0.628 HD22 ' NH1' ' B' ' 135' ' ' ARG . 9.4 mt -49.08 -62.14 1.69 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.912 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 57.1 mt -48.67 -33.27 4.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.13 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp -69.72 -32.34 70.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.858 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 134' ' ' ARG . . . . . 0.432 ' HG2' ' HA ' ' B' ' 131' ' ' LEU . 0.9 OUTLIER -87.05 -8.75 56.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.886 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 135' ' ' ARG . . . . . 0.628 ' NH1' HD22 ' B' ' 131' ' ' LEU . 0.5 OUTLIER -104.51 -19.53 13.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.913 -179.942 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -71.03 -27.8 63.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.966 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -78.37 -69.61 0.55 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -150.1 143.99 25.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.962 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 139' ' ' ILE . . . . . 0.458 HG22 ' H ' ' B' ' 141' ' ' LYS . 53.2 mt -62.17 108.07 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.15 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 140' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? -64.46 -15.72 61.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.837 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 141' ' ' LYS . . . . . 0.458 ' H ' HG22 ' B' ' 139' ' ' ILE . 19.4 mtpt 63.83 36.75 10.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.854 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 142' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -76.92 -5.23 47.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.002 0.43 . . . . 0.0 110.962 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 143' ' ' THR . . . . . . . . . . . . . 88.2 m -54.9 -68.56 0.18 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.155 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 20.1 mmt -52.5 -51.98 56.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.51 -36.44 55.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.821 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 146' ' ' ARG . . . . . . . . . . . . . 13.9 tpt85 -81.24 -23.62 37.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 147' ' ' LEU . . . . . . . . . . . . . 37.4 mt -71.7 -16.68 62.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 148' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -57.68 -22.85 48.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.947 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -83.13 -18.75 38.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -73.23 -30.48 63.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 44.7 p -53.42 -27.55 25.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.131 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 152' ' ' GLU . . . . . 0.529 ' CG ' HD22 ' B' ' 153' ' ' LEU . 18.3 pt-20 -55.0 -26.6 37.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.895 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 153' ' ' LEU . . . . . 0.529 HD22 ' CG ' ' B' ' 152' ' ' GLU . 4.3 mm? -73.89 -28.96 61.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.928 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 3.1 m -114.66 22.3 5.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.079 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 155' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -123.44 68.22 39.19 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.586 0.708 . . . . 0.0 110.888 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 156' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 154.64 67.56 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.728 2.286 . . . . 0.0 112.311 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 157' ' ' LEU . . . . . . . . . . . . . 66.9 tp -67.92 114.52 6.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 158' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.48 179.899 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.099 0 CA-C-O 120.781 0.324 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -158.27 167.05 30.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 8.3 tp60 -99.05 171.92 7.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 16.4 mmt180 63.66 61.16 1.02 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.946 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -135.91 33.26 2.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.125 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.1 m -90.72 114.4 61.17 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.611 0.72 . . . . 0.0 110.941 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 -45.66 1.53 Allowed 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.715 2.277 . . . . 0.0 112.361 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.7 mp -59.56 -55.17 37.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.898 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.613 ' HA ' HD12 ' A' ' 12' ' ' ILE . 43.4 p -53.94 -30.44 46.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.178 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 57.2 m -73.68 -31.85 63.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.857 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.652 ' O ' HG23 ' A' ' 15' ' ' VAL . 39.6 mm -79.96 -38.86 19.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.138 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.755 HG21 HG21 ' B' ' 112' ' ' ILE . 21.9 mt -60.62 -44.59 97.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.184 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.7 m -70.14 -32.59 70.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.835 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.98 -42.41 63.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.075 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 11' ' ' ILE . 75.5 t -62.17 -61.75 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.772 ' HA ' HD12 ' A' ' 19' ' ' LEU . 64.3 t -47.67 -46.3 11.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.16 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -50.13 -57.96 9.39 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.451 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.724 ' O ' HG23 ' A' ' 22' ' ' VAL . 43.8 mt -62.16 -35.25 67.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.862 0.363 . . . . 0.0 111.108 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.772 HD12 ' HA ' ' A' ' 16' ' ' VAL . 63.1 mt -59.08 -54.47 46.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.506 HD12 HG12 ' A' ' 16' ' ' VAL . 1.0 OUTLIER -54.16 -39.03 66.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 179.915 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 63.9 t -68.97 -38.09 78.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.077 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 18' ' ' ILE . 93.1 t -68.6 -55.12 17.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.836 ' O ' HG23 ' A' ' 27' ' ' VAL . 18.0 m -47.56 -44.23 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.181 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.456 HD23 ' HA ' ' A' ' 24' ' ' LEU . 12.7 mt -58.67 -58.54 8.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -44.42 -36.2 4.25 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.449 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 84.4 t -74.96 -40.78 45.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.829 0.347 . . . . 0.0 111.139 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.836 HG23 ' O ' ' A' ' 23' ' ' VAL . 17.6 t -64.31 -38.64 83.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -67.99 -52.28 37.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.23 -50.44 56.56 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.478 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 8.1 mm -50.34 -63.69 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.819 0.342 . . . . 0.0 111.15 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.637 HD22 ' NH1' ' A' ' 35' ' ' ARG . 9.3 mt -48.32 -64.22 0.86 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.938 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 60.9 mt -47.6 -34.9 3.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.9 mmtp -68.73 -35.53 77.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.43 ' HG2' ' HA ' ' A' ' 31' ' ' LEU . 0.9 OUTLIER -83.49 -8.98 59.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.637 ' NH1' HD22 ' A' ' 31' ' ' LEU . 0.7 OUTLIER -103.17 -18.54 14.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 -179.922 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.5 mm-40 -74.09 100.5 3.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.916 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -56.54 -179.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.857 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -57.27 97.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.6 mp -62.19 111.43 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.067 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.4 mtt85 -89.85 -13.41 36.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? 63.38 30.17 15.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -107.12 -37.35 6.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.957 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 96.2 m -52.3 -47.98 65.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.128 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.409 ' HG2' HD13 ' B' ' 147' ' ' LEU . 11.9 mtt -62.81 -43.28 99.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.825 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.49 -39.27 57.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.85 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 20.0 tpt180 -81.73 -23.64 36.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.835 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 19.1 mt -69.28 -24.11 63.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.404 HD23 ' O ' ' A' ' 44' ' ' MET . 4.3 mm? -58.48 -22.89 56.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.007 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -80.6 -16.28 54.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.959 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -67.79 -30.34 69.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 24.0 p -51.21 -30.43 17.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.148 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.53 ' CG ' HD22 ' A' ' 53' ' ' LEU . 14.0 pt-20 -54.18 -31.44 52.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.53 HD22 ' CG ' ' A' ' 52' ' ' GLU . 4.3 mm? -67.52 -30.21 69.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.927 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.3 m -114.1 21.59 6.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.155 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -123.47 68.19 39.52 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.696 0.76 . . . . 0.0 110.89 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 170.52 16.38 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.644 2.229 . . . . 0.0 112.391 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.0 mp -121.71 145.35 48.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.933 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 CA-C-O 119.155 -0.803 . . . . 0.0 112.439 179.906 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.669 0.271 . . . . 0.0 111.053 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -126.76 164.35 21.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.85 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 3.3 tm0? -80.49 -70.46 0.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.916 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -106.9 120.36 41.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -146.51 39.51 1.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.064 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 17.8 m -90.83 113.99 59.88 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.669 0.747 . . . . 0.0 110.865 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -46.09 1.36 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.66 2.24 . . . . 0.0 112.377 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 2.5 mp -59.36 -55.06 39.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 109' ' ' THR . . . . . 0.717 ' HA ' HD12 ' B' ' 112' ' ' ILE . 43.9 p -53.3 -32.1 47.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.105 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 49.2 m -72.9 -32.42 65.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.869 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 111' ' ' ILE . . . . . 0.66 ' O ' HG23 ' B' ' 115' ' ' VAL . 37.9 mm -79.56 -38.58 19.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.133 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 112' ' ' ILE . . . . . 0.755 HG21 HG21 ' A' ' 12' ' ' ILE . 19.1 mt -60.38 -43.47 93.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 14.6 m -70.63 -34.43 72.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -71.95 -41.48 67.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.074 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 115' ' ' VAL . . . . . 0.66 HG23 ' O ' ' B' ' 111' ' ' ILE . 73.5 t -62.19 -61.89 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.085 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 116' ' ' VAL . . . . . 0.732 ' HA ' HD12 ' B' ' 119' ' ' LEU . 66.3 t -47.22 -46.61 9.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.11 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -50.22 -58.08 9.31 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.487 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 118' ' ' ILE . . . . . 0.714 ' O ' HG23 ' B' ' 122' ' ' VAL . 43.7 mt -61.76 -35.44 67.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.894 0.378 . . . . 0.0 111.105 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 119' ' ' LEU . . . . . 0.732 HD12 ' HA ' ' B' ' 116' ' ' VAL . 64.6 mt -58.97 -54.77 43.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 120' ' ' LEU . . . . . 0.493 HD12 HG12 ' B' ' 116' ' ' VAL . 1.0 OUTLIER -53.64 -39.23 64.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 179.935 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 66.0 t -68.53 -38.32 78.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.108 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 122' ' ' VAL . . . . . 0.714 HG23 ' O ' ' B' ' 118' ' ' ILE . 86.5 t -68.34 -55.55 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.189 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 123' ' ' VAL . . . . . 0.834 ' O ' HG23 ' B' ' 127' ' ' VAL . 17.2 m -47.03 -44.42 7.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.122 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 124' ' ' LEU . . . . . 0.455 HD23 ' HA ' ' B' ' 124' ' ' LEU . 12.5 mt -58.55 -58.83 6.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.949 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 125' ' ' GLY . . . . . . . . . . . . . . . -43.92 -36.87 3.93 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.854 -0.688 . . . . 0.0 112.456 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 85.8 t -74.13 -41.89 51.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.837 0.351 . . . . 0.0 111.136 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 127' ' ' VAL . . . . . 0.834 HG23 ' O ' ' B' ' 123' ' ' VAL . 16.1 t -63.26 -39.02 83.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.155 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 128' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -67.06 -52.12 46.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 129' ' ' GLY . . . . . . . . . . . . . . . -65.48 -48.98 63.12 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.43 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 8.2 mm -50.23 -63.71 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.877 0.37 . . . . 0.0 111.074 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 131' ' ' LEU . . . . . 0.62 HD22 ' NH1' ' B' ' 135' ' ' ARG . 9.3 mt -48.7 -62.92 1.26 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 56.8 mt -48.54 -34.3 5.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.138 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 1.8 mmtt -68.78 -33.54 74.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 134' ' ' ARG . . . . . 0.417 ' HG2' ' HA ' ' B' ' 131' ' ' LEU . 4.2 ptm180 -85.72 -9.68 56.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 135' ' ' ARG . . . . . 0.62 ' NH1' HD22 ' B' ' 131' ' ' LEU . 0.7 OUTLIER -103.31 -18.61 14.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -72.9 -24.92 60.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.847 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -61.47 -68.65 0.3 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.867 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 20.8 pttm -165.7 152.82 10.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.946 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 77.1 mt -71.38 110.31 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.111 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 140' ' ' ARG . . . . . . . . . . . . . 26.5 mtp85 -73.49 -11.39 60.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 141' ' ' LYS . . . . . . . . . . . . . 34.6 mmtm 61.78 47.85 5.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 142' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -80.9 -26.11 37.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 143' ' ' THR . . . . . . . . . . . . . 98.9 m -52.22 -48.75 64.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.141 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 12.3 mtt -63.47 -44.15 95.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.835 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.02 -39.06 58.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.855 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 146' ' ' ARG . . . . . . . . . . . . . 19.8 tpt180 -81.61 -23.62 36.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 147' ' ' LEU . . . . . 0.409 HD13 ' HG2' ' A' ' 44' ' ' MET . 19.5 mt -69.03 -24.08 64.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 148' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -58.47 -22.9 56.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -80.46 -16.31 54.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -67.82 -30.15 69.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.832 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 23.9 p -51.02 -30.52 15.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.149 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 152' ' ' GLU . . . . . 0.529 ' CG ' HD22 ' B' ' 153' ' ' LEU . 14.1 pt-20 -54.45 -31.43 55.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.846 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 153' ' ' LEU . . . . . 0.529 HD22 ' CG ' ' B' ' 152' ' ' GLU . 4.3 mm? -67.6 -29.73 69.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 3.2 m -114.24 21.22 6.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.149 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 155' ' ' GLU . . . . . 0.425 ' HB2' ' HD2' ' B' ' 156' ' ' PRO . 2.8 pt-20 -60.63 160.36 19.64 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.678 0.752 . . . . 0.0 110.851 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 156' ' ' PRO . . . . . 0.425 ' HD2' ' HB2' ' B' ' 155' ' ' GLU . 53.7 Cg_endo -69.79 130.54 19.49 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.704 2.269 . . . . 0.0 112.335 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 157' ' ' LEU . . . . . 0.645 HD23 ' N ' ' B' ' 158' ' ' GLY . 2.0 tt -91.84 145.12 24.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.937 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 158' ' ' GLY . . . . . 0.645 ' N ' HD23 ' B' ' 157' ' ' LEU . . . . . . . . 0 N--CA 1.452 -0.268 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.441 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.769 0.319 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -148.67 175.49 11.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.874 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -112.29 -175.57 2.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 13.0 ptt-85 38.28 54.14 1.75 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -122.87 25.65 8.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.108 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 m -83.7 113.89 50.17 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.648 0.737 . . . . 0.0 110.902 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -40.67 4.97 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.691 2.26 . . . . 0.0 112.303 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -63.67 -55.25 24.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.952 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.783 ' HA ' HD12 ' A' ' 12' ' ' ILE . 68.8 p -53.68 -31.01 46.09 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.174 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 49.6 m -72.86 -33.53 66.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.604 ' O ' HG23 ' A' ' 15' ' ' VAL . 37.5 mm -79.87 -33.75 14.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.139 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.783 HD12 ' HA ' ' A' ' 9' ' ' THR . 24.7 mt -63.69 -43.34 98.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.089 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.1 p -72.83 -30.12 63.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.798 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.81 -45.72 34.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.143 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 11' ' ' ILE . 78.4 t -60.47 -62.82 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.078 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.757 HG13 HG13 ' B' ' 116' ' ' VAL . 56.3 t -48.87 -47.07 16.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.124 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.461 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -47.15 -56.55 7.76 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.528 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.684 ' O ' HG23 ' A' ' 22' ' ' VAL . 39.7 mt -65.34 -34.59 71.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.878 0.37 . . . . 0.0 111.091 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.4 mt -57.92 -52.33 65.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.953 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.556 HD12 HG12 ' A' ' 16' ' ' VAL . 0.9 OUTLIER -58.18 -43.03 87.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 179.905 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 17' ' ' GLY . 47.9 t -67.15 -26.88 37.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.115 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.684 HG23 ' O ' ' A' ' 18' ' ' ILE . 43.3 t -75.66 -54.32 14.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.139 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.669 ' O ' HG23 ' A' ' 27' ' ' VAL . 5.2 m -49.51 -46.41 20.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.156 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.452 HD21 HD23 ' B' ' 124' ' ' LEU . 13.2 mt -61.65 -52.28 65.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -45.66 -38.14 7.28 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.499 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.409 HG12 ' CD1' ' A' ' 30' ' ' ILE . 94.6 t -72.04 -40.21 67.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.879 0.371 . . . . 0.0 111.137 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 23' ' ' VAL . 13.8 t -67.39 -43.1 87.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -61.23 -50.78 71.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.902 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.495 ' HA2' HD12 ' A' ' 32' ' ' ILE . . . -61.04 -39.79 97.59 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.495 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.409 ' CD1' HG12 ' A' ' 26' ' ' VAL . 33.1 mt -56.61 -50.0 75.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.804 0.335 . . . . 0.0 111.13 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.423 ' HA ' ' HG2' ' A' ' 34' ' ' ARG . 11.1 mt -58.17 -50.45 73.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.495 HD12 ' HA2' ' A' ' 29' ' ' GLY . 31.5 mt -53.38 -48.84 56.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.099 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.28 -45.37 80.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.423 ' HG2' ' HA ' ' A' ' 31' ' ' LEU . 2.8 ptm180 -71.61 -16.2 62.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.842 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.05 -42.36 12.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.503 HE21 HG23 ' A' ' 43' ' ' THR . 28.1 mm-40 -52.7 163.23 0.48 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.987 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -97.36 -70.09 0.73 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.986 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -116.12 -36.66 4.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.69 HG23 ' HB2' ' A' ' 42' ' ' TYR . 74.2 mt -51.31 123.75 3.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.53 -68.43 0.73 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -124.14 10.32 8.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.69 ' HB2' HG23 ' A' ' 39' ' ' ILE . 7.3 m-85 -91.23 13.36 17.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.976 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.503 HG23 HE21 ' A' ' 36' ' ' GLN . 65.7 m -55.3 -74.38 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.078 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 13.1 mmm -52.95 -48.66 67.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.874 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.66 -32.58 52.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.0 tpp180 -82.16 -23.55 35.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.478 HD22 ' SD ' ' B' ' 144' ' ' MET . 51.2 mt -75.06 -17.68 60.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -58.41 -22.76 55.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.98 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -80.4 -15.92 55.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.972 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -77.43 -22.41 51.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 45.1 p -52.13 -29.04 20.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.526 ' CG ' HD22 ' A' ' 53' ' ' LEU . 15.0 pt-20 -54.95 -26.9 39.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.526 HD22 ' CG ' ' A' ' 52' ' ' GLU . 4.3 mm? -74.18 -28.9 61.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.905 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.0 m -114.5 21.44 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.07 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -84.24 162.15 52.46 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.577 0.703 . . . . 0.0 110.912 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 166.79 26.36 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.694 2.263 . . . . 0.0 112.332 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 29.8 mt -119.51 135.31 54.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.941 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 CA-C-O 119.129 -0.817 . . . . 0.0 112.527 179.9 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.783 0.325 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 9.7 mp0 -148.62 178.21 8.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -116.28 7.24 13.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 36.4 ptt85 -93.73 43.19 1.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -138.33 35.02 2.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.134 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 1.6 m -77.71 113.97 37.05 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-O 121.72 0.771 . . . . 0.0 110.887 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 -40.01 5.92 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.701 2.267 . . . . 0.0 112.319 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 108' ' ' LEU . . . . . 0.419 ' O ' HG13 ' B' ' 112' ' ' ILE . 2.3 mm? -64.37 -54.9 25.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 109' ' ' THR . . . . . 0.795 ' HA ' HD12 ' B' ' 112' ' ' ILE . 69.8 p -53.7 -31.79 49.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.163 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 42.3 m -71.98 -33.71 68.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.862 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 111' ' ' ILE . . . . . 0.596 ' O ' HG23 ' B' ' 115' ' ' VAL . 36.4 mm -79.5 -33.4 15.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.095 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 112' ' ' ILE . . . . . 0.795 HD12 ' HA ' ' B' ' 109' ' ' THR . 25.8 mt -63.52 -42.95 97.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.104 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 3.1 p -72.77 -31.59 65.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -74.85 -44.8 47.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.099 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 115' ' ' VAL . . . . . 0.596 HG23 ' O ' ' B' ' 111' ' ' ILE . 65.4 t -60.6 -62.1 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.17 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 116' ' ' VAL . . . . . 0.757 HG13 HG13 ' A' ' 16' ' ' VAL . 57.9 t -48.5 -48.18 14.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.092 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 117' ' ' GLY . . . . . 0.47 ' O ' HG23 ' B' ' 121' ' ' VAL . . . -47.14 -56.29 7.99 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.462 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 118' ' ' ILE . . . . . 0.702 ' O ' HG23 ' B' ' 122' ' ' VAL . 41.5 mt -65.2 -34.6 71.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.835 0.35 . . . . 0.0 111.171 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 12.5 mt -57.95 -52.99 63.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.913 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 120' ' ' LEU . . . . . 0.514 HD12 HG12 ' B' ' 116' ' ' VAL . 1.0 OUTLIER -57.53 -43.01 84.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 121' ' ' VAL . . . . . 0.47 HG23 ' O ' ' B' ' 117' ' ' GLY . 47.9 t -66.44 -27.96 41.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 122' ' ' VAL . . . . . 0.702 HG23 ' O ' ' B' ' 118' ' ' ILE . 49.0 t -74.05 -55.51 12.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.15 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 123' ' ' VAL . . . . . 0.595 ' O ' HG23 ' B' ' 127' ' ' VAL . 4.4 m -48.57 -46.36 14.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.117 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 124' ' ' LEU . . . . . 0.455 HD23 ' HA ' ' B' ' 124' ' ' LEU . 12.4 mt -59.83 -51.89 67.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.024 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 125' ' ' GLY . . . . . . . . . . . . . . . -46.95 -37.85 9.86 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.466 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 84.2 t -71.1 -38.54 71.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.929 0.395 . . . . 0.0 111.144 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 127' ' ' VAL . . . . . 0.595 HG23 ' O ' ' B' ' 123' ' ' VAL . 16.5 t -68.99 -41.81 81.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.099 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 128' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -63.55 -49.5 73.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 129' ' ' GLY . . . . . 0.554 ' HA2' HD12 ' B' ' 132' ' ' ILE . . . -57.58 -42.68 94.22 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.472 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 44.1 mt -58.23 -54.07 37.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.834 0.349 . . . . 0.0 111.151 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 10.5 mt -49.56 -53.18 25.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.955 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 132' ' ' ILE . . . . . 0.554 HD12 ' HA2' ' B' ' 129' ' ' GLY . 25.1 mt -49.65 -58.45 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.11 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.97 -22.89 63.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.837 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 134' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.26 -18.28 43.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.59 -40.77 10.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -57.47 -30.28 64.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -83.91 -68.69 0.69 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.84 154.06 4.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.921 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 59.9 mt -81.67 96.03 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.103 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 140' ' ' ARG . . . . . . . . . . . . . 1.5 mmm180 -88.69 -13.28 40.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 141' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 63.79 56.45 1.5 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.865 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 142' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -58.55 -24.98 61.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.894 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 143' ' ' THR . . . . . . . . . . . . . 66.9 m -52.0 -65.74 0.5 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.079 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 144' ' ' MET . . . . . 0.478 ' SD ' HD22 ' A' ' 47' ' ' LEU . 8.8 mmm -49.84 -49.26 49.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.82 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -52.9 -35.2 57.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.818 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 146' ' ' ARG . . . . . . . . . . . . . 15.1 tpp180 -82.3 -23.4 35.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.868 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 147' ' ' LEU . . . . . . . . . . . . . 52.3 mt -72.77 -16.55 61.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.96 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 148' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -57.73 -22.9 49.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -80.67 -16.86 52.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -78.26 -21.23 50.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 45.8 p -51.38 -29.86 17.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.172 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 152' ' ' GLU . . . . . 0.54 ' CG ' HD22 ' B' ' 153' ' ' LEU . 15.0 pt-20 -55.07 -27.05 41.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 153' ' ' LEU . . . . . 0.54 HD22 ' CG ' ' B' ' 152' ' ' GLU . 4.3 mm? -74.43 -28.68 61.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 3.0 m -114.3 22.06 5.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.131 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 155' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -83.86 162.17 53.33 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.605 0.716 . . . . 0.0 110.861 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 156' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 130.42 19.35 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.675 2.25 . . . . 0.0 112.364 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 157' ' ' LEU . . . . . . . . . . . . . 20.7 tp -100.72 111.04 23.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.854 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 158' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.509 179.871 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.742 0.305 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -162.23 163.73 28.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.906 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -95.89 -175.57 3.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.97 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.5 mtp-105 57.74 48.56 13.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.783 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -129.07 29.17 5.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.07 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.8 m -87.11 114.3 57.8 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.654 0.74 . . . . 0.0 110.779 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.79 -43.01 2.88 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.743 2.296 . . . . 0.0 112.261 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.92 -55.06 33.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.58 ' HA ' HD12 ' A' ' 12' ' ' ILE . 48.7 p -54.92 -27.44 43.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.059 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 68.6 m -75.01 -34.56 61.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.863 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.678 ' O ' HG23 ' A' ' 15' ' ' VAL . 42.7 mm -77.05 -40.74 30.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.136 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.886 HG21 HG21 ' B' ' 112' ' ' ILE . 17.8 mt -59.96 -44.59 94.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.174 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.2 m -67.08 -33.85 76.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.817 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.97 -42.62 63.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.144 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.678 HG23 ' O ' ' A' ' 11' ' ' ILE . 97.6 t -61.19 -55.32 25.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.091 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.71 HG13 HG13 ' B' ' 116' ' ' VAL . 60.8 t -51.64 -52.39 21.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.172 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.569 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -46.19 -53.99 8.8 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.49 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.689 ' O ' HG23 ' A' ' 22' ' ' VAL . 39.0 mt -67.77 -34.01 65.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.915 0.388 . . . . 0.0 111.17 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.661 ' CD1' HG12 ' A' ' 15' ' ' VAL . 33.5 mt -58.91 -51.05 71.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.449 HD12 HG12 ' A' ' 16' ' ' VAL . 1.3 mt -60.16 -41.72 93.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.937 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 17' ' ' GLY . 46.0 t -67.88 -27.69 38.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.1 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.689 HG23 ' O ' ' A' ' 18' ' ' ILE . 42.5 t -74.92 -54.93 13.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.099 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.622 ' O ' HG23 ' A' ' 27' ' ' VAL . 5.0 m -49.22 -47.83 18.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.223 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.445 HD23 HD21 ' B' ' 124' ' ' LEU . 13.3 mt -59.53 -51.38 70.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.933 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -46.41 -39.12 9.7 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.525 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 90.9 t -70.66 -39.21 75.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.891 0.377 . . . . 0.0 111.137 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 23' ' ' VAL . 11.2 t -68.59 -43.54 83.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.214 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -61.37 -51.96 66.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.667 ' HA2' HD12 ' A' ' 32' ' ' ILE . . . -58.34 -39.15 92.29 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.486 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 35.5 mt -58.44 -48.57 84.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.895 0.378 . . . . 0.0 111.142 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.429 ' O ' ' HG2' ' A' ' 34' ' ' ARG . 11.4 mt -58.3 -43.29 88.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.967 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.667 HD12 ' HA2' ' A' ' 29' ' ' GLY . 24.6 mt -59.92 -51.13 76.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.11 -47.86 74.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.429 ' HG2' ' O ' ' A' ' 31' ' ' LEU . 0.3 OUTLIER -70.64 -10.88 60.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.868 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.01 -43.98 8.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.942 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -53.06 102.21 0.05 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.987 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -116.42 -42.24 3.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.898 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.8 mmtm -147.81 172.28 14.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.8 mp -50.42 105.33 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.161 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.8 mmm180 -117.0 21.31 13.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -73.27 -43.48 60.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -52.08 -33.35 38.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.945 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 96.5 m -55.72 -59.3 5.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.169 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.451 ' O ' HD23 ' A' ' 48' ' ' LEU . 0.9 OUTLIER -51.52 -40.82 60.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 179.889 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.19 -33.75 54.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.813 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 28.4 tpt180 -82.32 -33.63 28.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.22 -36.5 83.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.946 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.451 HD23 ' O ' ' A' ' 44' ' ' MET . 4.1 mm? -56.91 -24.51 52.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -84.45 -21.66 30.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -73.88 -24.18 59.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 45.6 p -51.9 -29.02 18.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.178 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.55 ' CG ' HD22 ' A' ' 53' ' ' LEU . 16.2 pt-20 -54.97 -26.69 38.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.55 HD22 ' CG ' ' A' ' 52' ' ' GLU . 4.3 mm? -74.7 -28.91 61.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.947 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.1 m -114.63 23.11 5.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.152 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -84.93 162.13 50.69 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.605 0.717 . . . . 0.0 110.933 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.65 167.33 24.62 Favored 'Trans proline' 0 C--O 1.233 0.239 0 C-N-CA 122.659 2.239 . . . . 0.0 112.37 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.3 mp -73.96 -61.27 1.91 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.878 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 CA-C-O 119.15 -0.806 . . . . 0.0 112.55 179.892 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 120.724 0.297 . . . . 0.0 111.092 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -139.44 -175.51 4.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -71.34 -23.24 61.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.915 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 104' ' ' ARG . . . . . 0.619 ' O ' ' HB3' ' B' ' 105' ' ' ALA . 10.6 mmp_? -52.45 172.61 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.86 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 105' ' ' ALA . . . . . 0.619 ' HB3' ' O ' ' B' ' 104' ' ' ARG . . . 79.18 41.08 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.076 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.13 113.54 52.52 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.679 0.752 . . . . 0.0 110.844 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -42.85 3.05 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.678 2.252 . . . . 0.0 112.314 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -62.23 -54.44 40.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.935 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 109' ' ' THR . . . . . 0.691 ' HA ' HD12 ' B' ' 112' ' ' ILE . 41.7 p -54.49 -29.52 50.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.108 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 58.8 m -73.57 -35.05 65.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.824 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 111' ' ' ILE . . . . . 0.694 ' O ' HG23 ' B' ' 115' ' ' VAL . 39.8 mm -76.09 -40.45 37.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.133 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 112' ' ' ILE . . . . . 0.886 HG21 HG21 ' A' ' 12' ' ' ILE . 14.5 mt -59.83 -42.36 88.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.071 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 32.3 m -68.07 -36.16 79.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.838 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -71.63 -42.87 67.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.049 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 115' ' ' VAL . . . . . 0.694 HG23 ' O ' ' B' ' 111' ' ' ILE . 96.7 t -59.91 -55.45 23.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.163 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 116' ' ' VAL . . . . . 0.71 HG13 HG13 ' A' ' 16' ' ' VAL . 57.5 t -51.28 -53.29 15.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.152 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 117' ' ' GLY . . . . . 0.535 ' O ' HG23 ' B' ' 121' ' ' VAL . . . -44.95 -54.89 6.63 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.489 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 118' ' ' ILE . . . . . 0.681 ' O ' HG23 ' B' ' 122' ' ' VAL . 36.1 mt -66.62 -34.61 71.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.899 0.381 . . . . 0.0 111.118 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 119' ' ' LEU . . . . . 0.676 ' CD1' HG12 ' B' ' 115' ' ' VAL . 35.5 mt -58.65 -51.28 70.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 120' ' ' LEU . . . . . 0.475 HD12 HG12 ' B' ' 116' ' ' VAL . 1.2 mt -59.2 -41.98 89.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 121' ' ' VAL . . . . . 0.535 HG23 ' O ' ' B' ' 117' ' ' GLY . 43.3 t -68.26 -27.19 36.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.077 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 122' ' ' VAL . . . . . 0.681 HG23 ' O ' ' B' ' 118' ' ' ILE . 47.1 t -76.61 -53.58 14.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.085 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 123' ' ' VAL . . . . . 0.699 ' O ' HG23 ' B' ' 127' ' ' VAL . 6.0 m -49.75 -47.62 21.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.174 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 124' ' ' LEU . . . . . 0.445 HD21 HD23 ' A' ' 24' ' ' LEU . 13.3 mt -62.32 -53.13 59.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 125' ' ' GLY . . . . . . . . . . . . . . . -44.66 -38.23 5.44 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.504 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 126' ' ' VAL . . . . . 0.489 HG12 ' CD1' ' B' ' 130' ' ' ILE . 88.5 t -72.05 -41.8 67.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.933 0.397 . . . . 0.0 111.154 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 127' ' ' VAL . . . . . 0.699 HG23 ' O ' ' B' ' 123' ' ' VAL . 11.4 t -66.08 -44.77 91.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.074 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 128' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -59.87 -53.11 61.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.852 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 129' ' ' GLY . . . . . . . . . . . . . . . -61.2 -35.96 91.67 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.474 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 130' ' ' ILE . . . . . 0.489 ' CD1' HG12 ' B' ' 126' ' ' VAL . 18.3 mt -57.54 -51.39 70.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.864 0.364 . . . . 0.0 111.108 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 131' ' ' LEU . . . . . 0.412 ' HA ' ' HG2' ' B' ' 134' ' ' ARG . 11.2 mt -59.75 -48.49 81.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.946 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 38.1 mt -56.07 -49.69 74.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.151 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.51 -44.44 76.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 134' ' ' ARG . . . . . 0.412 ' HG2' ' HA ' ' B' ' 131' ' ' LEU . 0.1 OUTLIER -71.82 -19.46 61.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.832 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.09 -38.24 19.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.861 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -55.87 178.61 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -52.05 -28.64 18.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 19.9 mmmt -86.94 104.61 16.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 139' ' ' ILE . . . . . 0.702 HG22 ' H ' ' B' ' 141' ' ' LYS . 15.7 mt -75.08 142.37 14.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.143 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 140' ' ' ARG . . . . . . . . . . . . . 55.2 mmm-85 -114.53 1.4 14.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.857 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 141' ' ' LYS . . . . . 0.702 ' H ' HG22 ' B' ' 139' ' ' ILE . 19.7 mttt 52.51 30.59 8.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 142' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -82.86 -15.22 52.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.943 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 143' ' ' THR . . . . . . . . . . . . . 98.8 m -53.56 -62.06 1.9 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.199 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 144' ' ' MET . . . . . 0.451 ' O ' HD23 ' B' ' 148' ' ' LEU . 0.7 OUTLIER -50.94 -41.28 58.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.842 179.928 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.73 -33.63 56.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.808 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 146' ' ' ARG . . . . . . . . . . . . . 28.3 tpt180 -82.27 -34.05 28.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 147' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.11 -37.03 83.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 148' ' ' LEU . . . . . 0.451 HD23 ' O ' ' B' ' 144' ' ' MET . 4.1 mm? -56.82 -25.33 55.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.848 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -84.56 -21.83 30.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.901 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -73.88 -24.25 59.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.96 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 45.4 p -51.61 -29.75 18.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 152' ' ' GLU . . . . . 0.561 ' CG ' HD22 ' B' ' 153' ' ' LEU . 16.2 pt-20 -55.27 -26.64 41.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.879 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 153' ' ' LEU . . . . . 0.561 HD22 ' CG ' ' B' ' 152' ' ' GLU . 4.3 mm? -74.71 -28.38 60.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 2.9 m -114.42 23.05 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.083 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 155' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -127.66 68.23 74.03 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.667 0.746 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 156' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 170.48 16.54 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.694 2.263 . . . . 0.0 112.341 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 157' ' ' LEU . . . . . . . . . . . . . 7.4 tt -109.76 -34.87 6.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.976 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 158' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.499 179.905 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.747 0.308 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -159.36 170.01 22.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -100.92 -179.76 4.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.943 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.1 mtt180 59.25 53.64 5.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.821 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -132.79 31.4 3.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.107 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m -90.16 114.71 61.94 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.699 0.761 . . . . 0.0 110.885 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -43.9 2.4 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.699 2.266 . . . . 0.0 112.275 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.1 mt -62.56 -54.69 35.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.885 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.559 ' HA ' HD12 ' A' ' 12' ' ' ILE . 31.1 p -53.81 -28.83 37.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.096 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 70.0 m -74.0 -34.1 64.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.867 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.685 ' O ' HG23 ' A' ' 15' ' ' VAL . 41.9 mm -76.82 -40.95 32.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.095 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.921 HG21 HG21 ' B' ' 112' ' ' ILE . 21.4 mt -59.38 -45.24 93.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.112 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 13.6 t -66.53 -34.49 78.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.831 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.73 -42.64 63.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.121 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 11' ' ' ILE . 94.7 t -60.48 -55.84 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.088 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.714 HG13 HG13 ' B' ' 116' ' ' VAL . 60.3 t -51.58 -52.68 19.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.123 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.546 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -45.18 -54.53 7.09 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.526 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.651 ' O ' HG23 ' A' ' 22' ' ' VAL . 34.9 mt -67.86 -33.97 64.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.84 0.352 . . . . 0.0 111.068 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.665 ' CD1' HG12 ' A' ' 15' ' ' VAL . 33.6 mt -58.61 -50.64 73.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.469 HD12 HG12 ' A' ' 16' ' ' VAL . 1.3 mt -60.78 -42.2 97.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.882 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 17' ' ' GLY . 43.7 t -68.56 -27.52 36.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.135 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.651 HG23 ' O ' ' A' ' 18' ' ' ILE . 36.8 t -75.7 -53.09 16.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.15 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.697 ' O ' HG23 ' A' ' 27' ' ' VAL . 6.5 m -50.7 -47.53 28.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.14 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.442 HD23 ' HA ' ' A' ' 24' ' ' LEU . 13.3 mt -61.97 -52.25 64.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -45.56 -38.64 7.35 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.435 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.415 HG12 ' CD1' ' A' ' 30' ' ' ILE . 87.8 t -71.61 -40.47 71.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.859 0.361 . . . . 0.0 111.123 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.697 HG23 ' O ' ' A' ' 23' ' ' VAL . 11.1 t -67.57 -44.15 86.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.052 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -60.38 -51.55 69.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.486 ' HA2' HD12 ' A' ' 32' ' ' ILE . . . -61.47 -38.68 96.17 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.442 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.415 ' CD1' HG12 ' A' ' 26' ' ' VAL . 26.1 mt -56.37 -49.0 78.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.859 0.362 . . . . 0.0 111.122 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.455 ' HA ' ' HG2' ' A' ' 34' ' ' ARG . 11.2 mt -60.64 -48.59 81.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.486 HD12 ' HA2' ' A' ' 29' ' ' GLY . 33.8 mt -55.23 -49.07 75.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.18 -45.39 83.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.455 ' HG2' ' HA ' ' A' ' 31' ' ' LEU . 0.8 OUTLIER -71.26 -13.76 62.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.0 -42.1 10.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.552 ' NE2' HD11 ' A' ' 39' ' ' ILE . 3.8 mt-30 -54.81 101.14 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.952 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -116.94 -40.72 3.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.961 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.7 ptpt -153.25 98.51 2.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.875 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.552 HD11 ' NE2' ' A' ' 36' ' ' GLN . 65.9 mt -75.91 101.11 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.124 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -115.24 -7.92 12.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.86 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? 54.61 33.7 19.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.929 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -107.11 -15.81 14.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.945 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 75.1 m -53.36 -44.26 68.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.095 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 9.8 mmt -85.42 -49.77 7.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.818 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.75 -30.41 22.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.1 tpp180 -82.01 -31.23 31.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.834 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.8 mt -67.75 -20.06 65.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -57.81 -23.34 52.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -77.36 -18.96 56.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -73.01 -24.08 60.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.858 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.974 HG22 HD11 ' B' ' 148' ' ' LEU . 76.2 p -54.26 -28.29 40.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.16 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -60.74 -19.1 58.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -88.5 -24.63 22.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.952 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.561 HG11 ' CD ' ' B' ' 145' ' ' ARG . 2.6 m -116.93 25.35 4.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.11 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.428 ' HB2' ' HD2' ' A' ' 56' ' ' PRO . 3.6 pt-20 -146.64 160.04 42.48 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.647 0.736 . . . . 0.0 110.834 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.428 ' HD2' ' HB2' ' A' ' 55' ' ' GLU . 54.6 Cg_endo -69.76 150.51 68.34 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.688 2.259 . . . . 0.0 112.381 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 13.7 mt -91.55 -31.37 15.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.926 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 CA-C-O 119.138 -0.812 . . . . 0.0 112.485 179.891 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.687 0.28 . . . . 0.0 111.066 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -160.48 174.59 13.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -112.34 -170.01 1.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.953 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 38.52 47.75 1.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.836 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -118.56 22.84 11.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.148 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 16.1 m -82.94 113.89 48.72 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.63 0.728 . . . . 0.0 110.832 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -45.54 1.55 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.673 2.249 . . . . 0.0 112.331 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 6.1 mt -60.85 -54.7 41.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 109' ' ' THR . . . . . 0.583 ' HA ' HD12 ' B' ' 112' ' ' ILE . 31.4 p -53.69 -29.77 40.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.17 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 70.8 m -73.73 -34.04 64.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.837 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 111' ' ' ILE . . . . . 0.691 ' O ' HG23 ' B' ' 115' ' ' VAL . 42.1 mm -76.55 -41.11 34.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.133 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 112' ' ' ILE . . . . . 0.921 HG21 HG21 ' A' ' 12' ' ' ILE . 20.5 mt -59.29 -44.59 92.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.089 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 13.6 t -66.81 -34.97 78.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.856 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -72.5 -42.37 64.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.139 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 115' ' ' VAL . . . . . 0.691 HG23 ' O ' ' B' ' 111' ' ' ILE . 94.9 t -60.49 -55.89 21.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.159 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 116' ' ' VAL . . . . . 0.714 HG13 HG13 ' A' ' 16' ' ' VAL . 59.5 t -51.43 -52.58 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.147 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 117' ' ' GLY . . . . . 0.544 ' O ' HG23 ' B' ' 121' ' ' VAL . . . -45.42 -54.64 7.32 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.441 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 118' ' ' ILE . . . . . 0.655 ' O ' HG23 ' B' ' 122' ' ' VAL . 35.2 mt -67.65 -33.86 64.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.934 0.397 . . . . 0.0 111.122 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 119' ' ' LEU . . . . . 0.667 ' CD1' HG12 ' B' ' 115' ' ' VAL . 33.8 mt -58.69 -50.78 72.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 120' ' ' LEU . . . . . 0.473 HD12 HG12 ' B' ' 116' ' ' VAL . 1.3 mt -60.49 -42.32 96.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.949 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 121' ' ' VAL . . . . . 0.544 HG23 ' O ' ' B' ' 117' ' ' GLY . 43.6 t -68.31 -27.58 37.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.086 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 122' ' ' VAL . . . . . 0.655 HG23 ' O ' ' B' ' 118' ' ' ILE . 37.3 t -75.45 -53.37 16.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.156 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 123' ' ' VAL . . . . . 0.643 ' O ' HG23 ' B' ' 127' ' ' VAL . 5.9 m -50.55 -47.5 27.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.15 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 124' ' ' LEU . . . . . 0.423 ' N ' HG23 ' B' ' 123' ' ' VAL . 13.3 mt -60.39 -51.98 67.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.934 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 125' ' ' GLY . . . . . . . . . . . . . . . -46.01 -38.5 8.29 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.515 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 88.3 t -71.21 -40.23 74.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.848 0.356 . . . . 0.0 111.128 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 127' ' ' VAL . . . . . 0.643 HG23 ' O ' ' B' ' 123' ' ' VAL . 11.1 t -67.65 -44.55 86.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.175 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 128' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -60.12 -52.07 66.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.881 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 129' ' ' GLY . . . . . 0.518 ' HA2' HD12 ' B' ' 132' ' ' ILE . . . -60.52 -38.36 94.78 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.45 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 24.9 mt -56.95 -48.39 81.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.83 0.348 . . . . 0.0 111.148 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 131' ' ' LEU . . . . . 0.434 ' O ' ' HG2' ' B' ' 134' ' ' ARG . 11.4 mt -60.77 -46.28 91.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.945 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 132' ' ' ILE . . . . . 0.518 HD12 ' HA2' ' B' ' 129' ' ' GLY . 31.6 mt -57.96 -47.52 86.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.087 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.53 -46.26 84.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.914 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 134' ' ' ARG . . . . . 0.434 ' HG2' ' O ' ' B' ' 131' ' ' LEU . 3.7 ptm180 -73.35 -8.17 54.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.855 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.11 -28.29 14.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -72.3 -6.62 44.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 67.36 53.26 0.76 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.973 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -109.24 -14.73 14.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 139' ' ' ILE . . . . . 0.619 HG22 ' H ' ' B' ' 140' ' ' ARG . 1.3 mt -91.42 175.45 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.119 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 140' ' ' ARG . . . . . 0.619 ' H ' HG22 ' B' ' 139' ' ' ILE . 61.2 mtp180 -87.55 24.13 1.76 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 141' ' ' LYS . . . . . . . . . . . . . 21.7 mtpt 63.65 50.81 2.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.928 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 142' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -62.91 -23.55 67.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 143' ' ' THR . . . . . . . . . . . . . 51.7 m -53.09 -38.95 63.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.202 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 6.7 mmt -78.12 -51.41 10.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.865 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 145' ' ' ARG . . . . . 0.561 ' CD ' HG11 ' A' ' 54' ' ' VAL . 0.3 OUTLIER -52.24 -30.23 26.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 -179.88 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 146' ' ' ARG . . . . . . . . . . . . . 15.9 tpp180 -82.16 -31.2 30.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 147' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' B' ' 147' ' ' LEU . 15.0 mt -67.24 -18.44 65.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 148' ' ' LEU . . . . . 0.974 HD11 HG22 ' A' ' 51' ' ' THR . 4.3 mm? -58.02 -22.88 51.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.977 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -77.22 -18.8 57.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.953 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -75.04 -22.7 58.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 82.4 p -54.58 -27.59 40.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.18 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -63.11 -17.9 62.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.868 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -90.7 -24.1 20.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.87 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 2.3 m -116.12 21.11 6.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.153 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 155' ' ' GLU . . . . . 0.442 ' HB2' ' HD2' ' B' ' 156' ' ' PRO . 4.8 pt-20 -51.78 159.26 1.38 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.588 0.709 . . . . 0.0 110.87 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 156' ' ' PRO . . . . . 0.442 ' HD2' ' HB2' ' B' ' 155' ' ' GLU . 53.6 Cg_endo -69.73 130.59 19.64 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.685 2.257 . . . . 0.0 112.345 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 157' ' ' LEU . . . . . . . . . . . . . 33.9 mt -109.28 179.45 4.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.959 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 158' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.487 179.849 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.729 0.3 . . . . 0.0 111.08 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -123.69 -167.47 1.63 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.827 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.31 -65.54 1.18 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.94 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 18.5 ptt85 -106.13 106.99 17.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.99 35.73 1.94 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.047 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 m -87.38 114.28 57.95 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.675 0.75 . . . . 0.0 110.869 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -41.01 4.57 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.658 2.239 . . . . 0.0 112.371 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -64.74 -54.48 30.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.649 ' HA ' HD12 ' A' ' 12' ' ' ILE . 35.1 p -54.36 -28.19 41.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.109 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 65.5 m -74.0 -35.32 64.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.922 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.674 ' O ' HG23 ' A' ' 15' ' ' VAL . 44.0 mm -76.66 -40.34 32.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.151 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.773 HG21 HG21 ' B' ' 112' ' ' ILE . 17.3 mt -59.7 -42.98 90.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.095 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 63.6 m -68.05 -35.92 79.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.66 -43.75 65.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.14 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.674 HG23 ' O ' ' A' ' 11' ' ' ILE . 96.8 t -59.64 -54.12 38.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.141 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.708 HG13 HG13 ' B' ' 116' ' ' VAL . 61.3 t -51.78 -55.05 10.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.091 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.445 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -43.99 -54.69 5.95 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.451 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.662 ' O ' HG23 ' A' ' 22' ' ' VAL . 33.0 mt -67.52 -34.13 66.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.881 0.372 . . . . 0.0 111.138 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.657 ' CD1' HG12 ' A' ' 15' ' ' VAL . 31.6 mt -58.57 -50.83 72.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.873 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.434 HD12 HG12 ' A' ' 16' ' ' VAL . 1.4 mt -60.27 -42.45 95.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.998 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 17' ' ' GLY . 59.9 t -68.22 -27.22 36.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.193 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 18' ' ' ILE . 39.1 t -76.17 -53.75 14.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.618 ' O ' HG23 ' A' ' 27' ' ' VAL . 5.7 m -49.85 -48.18 22.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.055 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.441 HD23 ' HA ' ' A' ' 24' ' ' LEU . 12.6 mt -59.88 -52.33 65.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -45.95 -39.51 8.93 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.536 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 96.3 t -69.73 -39.97 78.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.838 0.351 . . . . 0.0 111.076 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 23' ' ' VAL . 15.7 t -67.42 -43.7 87.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.153 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -61.62 -52.29 64.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.934 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.705 ' HA2' HD12 ' A' ' 32' ' ' ILE . . . -58.78 -45.23 95.19 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.452 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 6.3 mm -52.81 -47.91 50.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.854 0.359 . . . . 0.0 111.175 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.513 ' O ' ' HG2' ' A' ' 34' ' ' ARG . 11.5 mt -58.77 -45.34 90.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.891 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.705 HD12 ' HA2' ' A' ' 29' ' ' GLY . 22.1 mt -57.88 -48.4 83.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.156 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.23 -43.49 92.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.513 ' HG2' ' O ' ' A' ' 31' ' ' LEU . 6.0 ptm180 -74.47 -6.25 47.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.33 -43.78 6.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -52.82 103.7 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.947 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -99.99 -67.77 0.84 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -109.0 163.12 13.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 48.7 mt -58.87 97.63 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.121 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.404 HH21 HG21 ' A' ' 43' ' ' THR . 15.5 mtp180 -101.3 20.93 14.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 32.4 mmtm -68.79 -25.04 64.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -107.42 -23.42 12.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.404 HG21 HH21 ' A' ' 40' ' ' ARG . 96.9 m -53.79 -58.35 7.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.066 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.426 ' O ' HD23 ' A' ' 48' ' ' LEU . 6.7 mtt -58.99 -38.31 78.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -54.34 -36.34 63.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.86 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.8 tpp180 -74.12 -25.74 59.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.81 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -76.17 -25.81 55.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.642 HD11 ' CG2' ' B' ' 151' ' ' THR . 4.4 mm? -62.07 -25.25 67.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.954 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -84.18 -19.9 33.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.423 ' HG3' ' HE1' ' B' ' 144' ' ' MET . 40.5 mm-40 -75.29 -22.58 57.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.631 ' CG2' HD11 ' B' ' 148' ' ' LEU . 40.1 p -51.43 -29.71 16.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.153 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -54.18 -27.71 35.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.891 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -72.87 -31.38 64.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.898 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.5 m -112.91 23.95 4.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -86.41 161.99 46.96 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.657 0.741 . . . . 0.0 110.84 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 161.97 43.86 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.747 2.298 . . . . 0.0 112.324 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 14.0 mt -124.61 156.5 37.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 CA-C-O 119.094 -0.837 . . . . 0.0 112.485 179.902 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.71 0.29 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -155.58 -179.29 7.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.939 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -97.59 169.5 9.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 17.0 mtp180 64.25 61.57 0.89 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.79 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -135.73 33.45 2.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.128 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 1.5 m -96.64 114.11 63.89 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.762 0.792 . . . . 0.0 110.825 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.67 -41.24 4.56 Favored 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 122.66 2.24 . . . . 0.0 112.38 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -64.64 -54.74 27.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.979 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 109' ' ' THR . . . . . 0.587 ' HA ' HD12 ' B' ' 112' ' ' ILE . 35.7 p -54.36 -27.59 37.28 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.109 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 66.4 m -74.73 -35.2 62.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 111' ' ' ILE . . . . . 0.693 ' O ' HG23 ' B' ' 115' ' ' VAL . 43.6 mm -76.89 -40.64 31.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.175 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 112' ' ' ILE . . . . . 0.773 HG21 HG21 ' A' ' 12' ' ' ILE . 18.4 mt -59.92 -42.39 89.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.221 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 62.1 m -68.63 -35.11 76.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.785 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -72.21 -43.96 63.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.065 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 115' ' ' VAL . . . . . 0.693 HG23 ' O ' ' B' ' 111' ' ' ILE . 91.5 t -59.79 -54.24 37.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.169 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 116' ' ' VAL . . . . . 0.708 HG13 HG13 ' A' ' 16' ' ' VAL . 61.6 t -51.81 -54.85 11.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.112 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 117' ' ' GLY . . . . . 0.448 ' O ' HG23 ' B' ' 121' ' ' VAL . . . -44.13 -54.36 6.21 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.454 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 118' ' ' ILE . . . . . 0.661 ' O ' HG23 ' B' ' 122' ' ' VAL . 33.3 mt -67.93 -33.81 63.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.898 0.38 . . . . 0.0 111.136 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 119' ' ' LEU . . . . . 0.661 ' CD1' HG12 ' B' ' 115' ' ' VAL . 30.5 mt -58.87 -50.6 73.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.882 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 120' ' ' LEU . . . . . 0.455 HD12 HG12 ' B' ' 116' ' ' VAL . 1.3 mt -60.58 -42.49 96.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 121' ' ' VAL . . . . . 0.448 HG23 ' O ' ' B' ' 117' ' ' GLY . 58.3 t -68.0 -27.07 36.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.157 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 122' ' ' VAL . . . . . 0.661 HG23 ' O ' ' B' ' 118' ' ' ILE . 38.4 t -75.88 -54.39 13.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.103 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 123' ' ' VAL . . . . . 0.626 ' O ' HG23 ' B' ' 127' ' ' VAL . 5.2 m -49.53 -48.41 19.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 124' ' ' LEU . . . . . 0.425 ' N ' HG23 ' B' ' 123' ' ' VAL . 12.3 mt -60.17 -52.73 64.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 125' ' ' GLY . . . . . . . . . . . . . . . -45.8 -39.45 8.48 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.49 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 98.3 t -69.7 -40.49 79.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.884 0.373 . . . . 0.0 111.16 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 127' ' ' VAL . . . . . 0.626 HG23 ' O ' ' B' ' 123' ' ' VAL . 15.1 t -66.82 -44.33 89.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 128' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -62.66 -50.12 72.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.833 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 129' ' ' GLY . . . . . 0.438 ' HA2' HD12 ' B' ' 132' ' ' ILE . . . -61.62 -45.81 95.55 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.431 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 5.5 mm -52.42 -48.68 45.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.858 0.361 . . . . 0.0 111.083 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 131' ' ' LEU . . . . . 0.443 ' HA ' ' HG2' ' B' ' 134' ' ' ARG . 10.7 mt -58.3 -51.45 69.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 132' ' ' ILE . . . . . 0.438 HD12 ' HA2' ' B' ' 129' ' ' GLY . 27.3 mt -54.11 -50.41 54.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.041 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.12 -46.37 75.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 134' ' ' ARG . . . . . 0.443 ' HG2' ' HA ' ' B' ' 131' ' ' LEU . 0.9 OUTLIER -69.21 -17.73 63.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.913 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.39 -34.59 16.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -50.87 -33.11 22.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.898 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -158.01 105.25 1.95 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 13.5 ptpt -125.06 145.93 49.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 139' ' ' ILE . . . . . 0.476 HG22 ' H ' ' B' ' 141' ' ' LYS . 81.0 mt -71.82 131.86 34.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.068 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 140' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -75.12 -29.15 60.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 141' ' ' LYS . . . . . 0.476 ' H ' HG22 ' B' ' 139' ' ' ILE . 14.7 tttt -76.6 -7.73 55.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.89 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 142' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -92.27 14.4 16.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.893 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 143' ' ' THR . . . . . . . . . . . . . 97.5 m -56.27 -60.95 2.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.173 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 144' ' ' MET . . . . . 0.423 ' HE1' ' HG3' ' A' ' 50' ' ' GLU . 7.1 mtt -60.51 -37.52 81.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.921 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -54.31 -36.14 63.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 146' ' ' ARG . . . . . . . . . . . . . 16.9 tpp180 -74.4 -25.72 59.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 147' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -75.8 -25.4 56.35 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 148' ' ' LEU . . . . . 0.631 HD11 ' CG2' ' A' ' 51' ' ' THR . 4.4 mm? -62.3 -25.43 67.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.96 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 22.1 mm-40 -84.23 -19.63 33.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.985 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -75.39 -22.65 57.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 151' ' ' THR . . . . . 0.642 ' CG2' HD11 ' A' ' 48' ' ' LEU . 38.9 p -51.09 -30.02 14.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.187 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -54.4 -27.76 38.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.815 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -72.84 -31.04 64.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 3.5 m -112.97 24.21 4.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 155' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -125.29 68.54 58.61 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.66 0.743 . . . . 0.0 110.897 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 156' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.73 170.55 16.28 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.722 2.282 . . . . 0.0 112.337 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 157' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -133.34 118.91 19.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 158' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.505 179.925 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.059 0 CA-C-O 120.754 0.311 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -150.91 163.94 37.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.841 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -84.31 -175.22 5.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.972 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 18.3 mmt85 56.24 57.41 5.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.86 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -134.43 32.36 3.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.057 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.455 ' CB ' ' HG1' ' A' ' 9' ' ' THR . 11.5 t -93.75 114.25 62.56 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.694 0.759 . . . . 0.0 110.847 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -44.38 2.14 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.741 2.294 . . . . 0.0 112.335 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.4 mt -58.63 -55.33 36.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.674 ' HA ' HD12 ' A' ' 12' ' ' ILE . 70.6 p -55.55 -29.03 58.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.174 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 54.7 m -74.03 -32.64 63.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.918 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.67 ' O ' HG23 ' A' ' 15' ' ' VAL . 41.5 mm -79.41 -38.6 19.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.166 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.713 HG21 HG21 ' B' ' 112' ' ' ILE . 18.6 mt -60.97 -44.66 98.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.108 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 83.1 p -69.64 -32.5 71.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.99 -42.55 63.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.121 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 11' ' ' ILE . 83.8 t -61.92 -62.2 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.767 ' HA ' HD12 ' A' ' 19' ' ' LEU . 62.4 t -47.26 -46.57 9.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.11 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -49.97 -58.09 9.05 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.502 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.728 ' O ' HG23 ' A' ' 22' ' ' VAL . 41.3 mt -62.01 -34.88 65.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.819 0.342 . . . . 0.0 111.123 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.767 HD12 ' HA ' ' A' ' 16' ' ' VAL . 63.5 mt -59.63 -54.39 46.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.925 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.515 HD12 HG12 ' A' ' 16' ' ' VAL . 1.0 OUTLIER -53.99 -38.57 65.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.955 179.855 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 64.7 t -68.93 -39.24 79.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.096 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 18' ' ' ILE . 92.4 t -68.08 -55.03 18.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.064 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.843 ' O ' HG23 ' A' ' 27' ' ' VAL . 19.1 m -47.36 -44.28 8.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.153 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.464 HD23 ' HA ' ' A' ' 24' ' ' LEU . 12.5 mt -58.61 -58.93 6.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -44.0 -36.48 3.86 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.476 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.403 HG12 HG13 ' A' ' 30' ' ' ILE . 86.3 t -74.56 -42.27 48.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.836 0.35 . . . . 0.0 111.126 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.843 HG23 ' O ' ' A' ' 23' ' ' VAL . 16.3 t -62.77 -38.64 82.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.179 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -67.66 -55.43 13.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -63.16 -49.93 67.33 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.509 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.403 HG13 HG12 ' A' ' 26' ' ' VAL . 7.1 mm -49.73 -64.01 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.895 0.378 . . . . 0.0 111.079 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.647 HD22 ' NH1' ' A' ' 35' ' ' ARG . 9.8 mt -47.65 -62.49 1.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 50.3 mt -47.4 -35.95 4.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.132 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.3 tmtp? -66.75 -37.15 84.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.427 ' HG2' ' HA ' ' A' ' 31' ' ' LEU . 2.6 ptm180 -81.47 -11.87 59.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.647 ' NH1' HD22 ' A' ' 31' ' ' LEU . 1.2 mtt85 -100.67 -17.19 17.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -73.77 114.08 11.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -116.48 178.03 4.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -76.18 -19.31 58.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.95 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 48.1 mt -56.88 -25.18 21.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.098 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 14.5 mtm180 -96.78 21.34 9.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 46.8 tttt -62.27 -37.49 85.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -95.22 13.84 24.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 98.0 m -87.18 -60.99 1.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.086 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.434 ' O ' HD23 ' A' ' 48' ' ' LEU . 8.1 mtt -59.35 -31.83 69.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.95 -39.48 59.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.941 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.33 -29.52 34.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.88 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -69.76 -41.45 75.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.946 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.434 HD23 ' O ' ' A' ' 44' ' ' MET . 4.1 mm? -60.02 -22.75 63.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.962 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -82.62 -15.91 50.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -73.47 -24.3 60.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 24.1 p -51.09 -30.37 15.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.093 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.509 ' CG ' HD22 ' A' ' 53' ' ' LEU . 13.4 pt-20 -53.57 -33.69 55.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.509 HD22 ' CG ' ' A' ' 52' ' ' GLU . 4.3 mm? -65.12 -29.92 70.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.931 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.2 m -113.83 20.51 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.097 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.419 ' HB2' ' HD2' ' A' ' 56' ' ' PRO . 4.0 pt-20 -56.38 160.45 5.14 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.714 0.768 . . . . 0.0 110.793 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.419 ' HD2' ' HB2' ' A' ' 55' ' ' GLU . 53.6 Cg_endo -69.83 130.57 19.5 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.664 2.243 . . . . 0.0 112.29 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.4 tp -73.66 161.58 30.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 CA-C-O 119.2 -0.778 . . . . 0.0 112.49 179.887 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.696 0.284 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -151.45 -176.26 5.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.929 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 7.7 pm0 -78.36 -20.54 51.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.859 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 104' ' ' ARG . . . . . 0.62 ' O ' ' HB3' ' B' ' 105' ' ' ALA . 55.5 mmm-85 -53.55 174.42 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 105' ' ' ALA . . . . . 0.62 ' HB3' ' O ' ' B' ' 104' ' ' ARG . . . 78.76 39.73 0.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.014 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 1.6 m -80.19 113.71 40.95 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.587 0.708 . . . . 0.0 110.855 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -44.56 2.02 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.7 2.267 . . . . 0.0 112.309 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 1.2 mt -59.93 -54.83 41.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.95 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 109' ' ' THR . . . . . 0.748 ' HA ' HD12 ' B' ' 112' ' ' ILE . 63.2 p -54.42 -30.52 52.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 53.7 m -73.53 -33.16 64.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 111' ' ' ILE . . . . . 0.665 ' O ' HG23 ' B' ' 115' ' ' VAL . 41.0 mm -79.1 -38.52 20.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.102 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 112' ' ' ILE . . . . . 0.748 HD12 ' HA ' ' B' ' 109' ' ' THR . 15.8 mt -60.56 -43.16 93.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.169 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 83.1 p -70.55 -34.06 71.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.84 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -72.29 -41.77 66.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.074 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 115' ' ' VAL . . . . . 0.665 HG23 ' O ' ' B' ' 111' ' ' ILE . 71.8 t -61.83 -62.41 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 116' ' ' VAL . . . . . 0.765 ' HA ' HD12 ' B' ' 119' ' ' LEU . 63.2 t -47.12 -46.22 8.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.173 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -49.94 -58.12 8.99 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.45 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 118' ' ' ILE . . . . . 0.715 ' O ' HG23 ' B' ' 122' ' ' VAL . 41.5 mt -61.8 -34.55 63.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.935 0.397 . . . . 0.0 111.081 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 119' ' ' LEU . . . . . 0.765 HD12 ' HA ' ' B' ' 116' ' ' VAL . 64.4 mt -60.07 -55.09 38.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.926 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 120' ' ' LEU . . . . . 0.526 HD12 HG12 ' B' ' 116' ' ' VAL . 1.0 OUTLIER -53.26 -38.38 62.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.88 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 65.8 t -68.53 -39.23 80.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 122' ' ' VAL . . . . . 0.715 HG23 ' O ' ' B' ' 118' ' ' ILE . 91.8 t -67.83 -55.48 16.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.175 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 123' ' ' VAL . . . . . 0.838 ' O ' HG23 ' B' ' 127' ' ' VAL . 16.6 m -46.8 -44.78 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.152 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 124' ' ' LEU . . . . . 0.461 HD23 ' HA ' ' B' ' 124' ' ' LEU . 12.5 mt -58.25 -58.62 7.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 125' ' ' GLY . . . . . . . . . . . . . . . -43.87 -37.78 4.23 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.519 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 126' ' ' VAL . . . . . 0.403 HG12 HG13 ' B' ' 130' ' ' ILE . 84.0 t -73.25 -42.16 57.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.897 0.379 . . . . 0.0 111.183 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 127' ' ' VAL . . . . . 0.838 HG23 ' O ' ' B' ' 123' ' ' VAL . 15.7 t -62.99 -39.02 83.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.154 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 128' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -66.44 -55.93 13.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 129' ' ' GLY . . . . . . . . . . . . . . . -63.29 -47.38 88.31 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.478 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 130' ' ' ILE . . . . . 0.403 HG13 HG12 ' B' ' 126' ' ' VAL . 4.9 mm -50.03 -63.83 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.833 0.349 . . . . 0.0 111.12 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 131' ' ' LEU . . . . . 0.624 HD22 ' NH1' ' B' ' 135' ' ' ARG . 9.3 mt -48.46 -61.23 2.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.951 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 42.4 mt -47.43 -36.67 4.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.13 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.96 -35.28 80.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 134' ' ' ARG . . . . . 0.42 ' HG2' ' HA ' ' B' ' 131' ' ' LEU . 0.6 OUTLIER -84.21 -6.7 59.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 135' ' ' ARG . . . . . 0.624 ' NH1' HD22 ' B' ' 131' ' ' LEU . 0.9 OUTLIER -107.36 -9.93 15.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.809 -179.907 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -78.37 -62.48 1.67 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.007 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -51.88 -47.87 64.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 12.3 pttp -170.53 148.49 3.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.963 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 10.0 mt -75.99 99.26 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.109 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 140' ' ' ARG . . . . . . . . . . . . . 6.9 mtp85 -58.1 -174.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 141' ' ' LYS . . . . . . . . . . . . . 54.9 tttt -86.84 40.7 0.92 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.943 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 142' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -109.54 8.95 25.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 143' ' ' THR . . . . . . . . . . . . . 85.0 m -81.36 -59.57 2.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.133 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 144' ' ' MET . . . . . 0.445 ' O ' HD23 ' B' ' 148' ' ' LEU . 6.3 mtt -57.11 -32.5 66.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.884 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.6 -38.94 61.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 146' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.17 -30.01 31.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 147' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -68.59 -41.39 79.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 148' ' ' LEU . . . . . 0.445 HD23 ' O ' ' B' ' 144' ' ' MET . 4.1 mm? -60.51 -22.81 63.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.826 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -82.39 -15.81 51.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.877 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -73.19 -24.52 60.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.808 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 25.4 p -51.6 -29.48 17.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.139 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 152' ' ' GLU . . . . . 0.505 ' HG3' HD22 ' B' ' 153' ' ' LEU . 13.5 pt-20 -53.15 -33.75 53.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 153' ' ' LEU . . . . . 0.505 HD22 ' HG3' ' B' ' 152' ' ' GLU . 4.3 mm? -65.12 -31.01 71.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.913 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 3.5 m -113.7 22.21 5.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.163 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 155' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -85.09 162.1 50.35 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.592 0.711 . . . . 0.0 110.931 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 156' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 154.35 68.15 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.696 2.264 . . . . 0.0 112.355 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 157' ' ' LEU . . . . . . . . . . . . . 5.4 mp -71.74 155.7 40.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.951 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 158' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.513 179.886 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.769 0.318 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -149.94 164.46 35.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -87.03 -172.66 4.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? 52.64 52.34 14.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -133.27 31.51 3.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.127 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.4 m -89.84 113.91 58.74 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.742 0.782 . . . . 0.0 110.899 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -44.8 1.87 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.669 2.246 . . . . 0.0 112.364 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -61.24 -54.99 37.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.668 ' HA ' HD12 ' A' ' 12' ' ' ILE . 34.6 p -52.71 -32.58 43.62 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.183 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 49.8 m -71.37 -33.66 69.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.813 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.688 ' O ' HG23 ' A' ' 15' ' ' VAL . 38.1 mm -75.59 -37.5 36.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.118 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.941 HG23 HG23 ' B' ' 112' ' ' ILE . 31.0 mt -60.6 -57.98 9.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.07 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 17.2 t -57.95 -31.24 66.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.855 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.45 -42.46 61.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.149 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.688 HG23 ' O ' ' A' ' 11' ' ' ILE . 79.3 t -63.27 -57.62 11.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.095 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.906 HG13 HG13 ' B' ' 116' ' ' VAL . 3.5 t -49.49 -49.99 17.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.131 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -49.0 -56.79 9.56 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.536 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.578 ' O ' HG23 ' A' ' 22' ' ' VAL . 59.7 mt -60.4 -46.7 94.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.793 0.33 . . . . 0.0 111.08 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 80.1 mt -50.81 -51.6 49.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.758 HD12 ' O ' ' A' ' 16' ' ' VAL . 0.9 OUTLIER -54.96 -41.98 71.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 179.912 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 96.5 t -66.71 -26.08 36.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.125 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 18' ' ' ILE . 94.4 t -75.26 -56.51 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.174 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.761 ' O ' HG23 ' A' ' 27' ' ' VAL . 17.9 m -48.9 -43.57 14.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.16 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.445 HD23 ' HA ' ' A' ' 24' ' ' LEU . 13.3 mt -64.19 -51.79 62.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.849 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -45.76 -37.27 6.98 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.522 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 89.8 t -74.1 -39.74 50.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.917 0.389 . . . . 0.0 111.149 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.761 HG23 ' O ' ' A' ' 23' ' ' VAL . 11.9 t -68.4 -41.63 83.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.161 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -63.51 -47.18 82.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.857 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.81 -38.26 96.22 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.466 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 35.7 mt -60.21 -49.77 82.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.805 0.336 . . . . 0.0 111.128 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.432 ' HA ' ' HG2' ' A' ' 34' ' ' ARG . 11.0 mt -57.11 -53.49 57.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.449 HG23 ' OE1' ' B' ' 150' ' ' GLU . 32.8 mt -51.06 -38.41 18.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 179.786 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.3 -39.59 94.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.432 ' HG2' ' HA ' ' A' ' 31' ' ' LEU . 2.8 ptm180 -77.42 -15.06 59.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.405 ' HD3' ' HA ' ' A' ' 32' ' ' ILE . 0.0 OUTLIER -91.19 -36.73 13.77 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.837 -179.904 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -56.33 -27.77 56.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -112.5 22.98 14.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.3 ptmm? -69.6 151.72 45.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.943 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.7 mp -55.37 -32.93 30.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.257 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 14.5 mmt-85 -95.28 22.0 7.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.818 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.7 ptmt -53.11 -36.43 60.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -52.77 -35.62 56.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.954 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 98.0 m -53.2 -53.17 54.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.1 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.666 ' HG3' HD13 ' B' ' 147' ' ' LEU . 0.0 OUTLIER -59.04 -46.59 87.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 179.891 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -51.94 -38.82 57.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 25.3 tpt180 -82.18 -23.32 35.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.643 HD13 ' HG3' ' B' ' 144' ' ' MET . 20.1 mt -69.35 -24.43 63.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.972 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.405 HD11 HG22 ' B' ' 151' ' ' THR . 4.3 mm? -58.15 -22.89 53.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -80.48 -17.69 50.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -65.74 -32.25 73.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.403 HG22 HD11 ' B' ' 148' ' ' LEU . 25.6 p -51.35 -30.03 17.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.181 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -54.57 -27.04 36.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -72.17 -30.46 65.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.5 m -113.77 21.48 6.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.197 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.422 ' HB2' ' HD2' ' A' ' 56' ' ' PRO . 3.2 pt-20 -56.45 160.3 5.44 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.659 0.742 . . . . 0.0 110.883 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.422 ' HD2' ' HB2' ' A' ' 55' ' ' GLU . 53.1 Cg_endo -69.79 144.23 53.2 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.671 2.247 . . . . 0.0 112.356 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 86.5 mt -141.08 176.58 8.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.392 0 CA-C-O 119.145 -0.808 . . . . 0.0 112.555 179.964 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.734 0.302 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -149.58 164.93 33.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.931 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 14.0 tp60 -104.58 4.03 32.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.998 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 10.2 mpt_? -92.46 48.47 1.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -144.84 38.58 1.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.064 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 11.9 m -80.08 114.56 47.62 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.695 0.76 . . . . 0.0 110.89 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -44.39 2.1 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.631 2.221 . . . . 0.0 112.379 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 108' ' ' LEU . . . . . 0.403 ' O ' HG13 ' B' ' 112' ' ' ILE . 3.6 mm? -61.73 -54.7 38.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 109' ' ' THR . . . . . 0.729 ' HA ' HD12 ' B' ' 112' ' ' ILE . 36.6 p -52.54 -33.63 46.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.171 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 46.9 m -70.81 -34.16 71.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.871 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 111' ' ' ILE . . . . . 0.669 ' O ' HG23 ' B' ' 115' ' ' VAL . 36.9 mm -75.3 -37.58 39.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.123 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 112' ' ' ILE . . . . . 0.941 HG23 HG23 ' A' ' 12' ' ' ILE . 28.2 mt -59.96 -57.3 12.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.062 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 16.1 t -58.04 -33.47 69.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -71.85 -42.46 66.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.132 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 115' ' ' VAL . . . . . 0.669 HG23 ' O ' ' B' ' 111' ' ' ILE . 69.7 t -62.89 -56.63 16.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.1 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 116' ' ' VAL . . . . . 0.906 HG13 HG13 ' A' ' 16' ' ' VAL . 4.7 t -49.14 -51.07 14.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.156 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -48.93 -56.56 9.83 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.487 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 118' ' ' ILE . . . . . 0.596 ' O ' HG23 ' B' ' 122' ' ' VAL . 56.9 mt -61.09 -46.27 96.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.872 0.367 . . . . 0.0 111.119 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 119' ' ' LEU . . . . . 0.469 ' CD1' HG12 ' B' ' 115' ' ' VAL . 79.4 mt -51.02 -51.23 55.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.025 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 120' ' ' LEU . . . . . 0.767 HD12 ' O ' ' B' ' 116' ' ' VAL . 0.8 OUTLIER -54.47 -42.74 71.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.894 179.905 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 98.4 t -66.49 -26.21 37.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.106 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 122' ' ' VAL . . . . . 0.596 HG23 ' O ' ' B' ' 118' ' ' ILE . 87.4 t -76.07 -55.97 9.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.052 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 123' ' ' VAL . . . . . 0.756 ' O ' HG23 ' B' ' 127' ' ' VAL . 17.4 m -48.6 -43.45 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.102 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 124' ' ' LEU . . . . . 0.427 ' N ' HG23 ' B' ' 123' ' ' VAL . 13.0 mt -64.16 -51.65 62.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 125' ' ' GLY . . . . . . . . . . . . . . . -45.95 -37.37 7.41 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.512 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 90.5 t -74.0 -39.47 51.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.838 0.351 . . . . 0.0 111.097 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 127' ' ' VAL . . . . . 0.756 HG23 ' O ' ' B' ' 123' ' ' VAL . 12.5 t -68.69 -41.25 82.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.096 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 128' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -63.7 -47.46 81.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.831 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 129' ' ' GLY . . . . . . . . . . . . . . . -62.56 -38.75 96.89 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.485 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 38.6 mt -59.97 -49.25 84.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.82 0.343 . . . . 0.0 111.124 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 131' ' ' LEU . . . . . 0.435 ' HA ' ' HG2' ' B' ' 134' ' ' ARG . 10.7 mt -57.27 -53.9 52.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 28.9 mt -50.57 -38.59 16.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.125 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.62 -39.77 94.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 134' ' ' ARG . . . . . 0.435 ' HG2' ' HA ' ' B' ' 131' ' ' LEU . 2.7 ptm180 -78.42 -12.13 59.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.899 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 -93.81 -34.82 13.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 -58.87 -37.51 76.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.974 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -93.08 172.8 8.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.945 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.67 168.03 1.32 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 139' ' ' ILE . . . . . 0.747 HG22 ' H ' ' B' ' 141' ' ' LYS . 30.3 mt -64.88 124.14 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.121 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 140' ' ' ARG . . . . . . . . . . . . . 22.9 mtt-85 -93.58 19.34 8.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 141' ' ' LYS . . . . . 0.747 ' H ' HG22 ' B' ' 139' ' ' ILE . 19.1 mmtp 62.5 37.12 13.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 142' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -107.57 -29.07 9.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 143' ' ' THR . . . . . . . . . . . . . 95.0 m -52.55 -53.94 39.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.111 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 144' ' ' MET . . . . . 0.643 ' HG3' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -58.83 -47.15 85.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.84 179.917 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -52.23 -38.7 58.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 146' ' ' ARG . . . . . . . . . . . . . 25.4 tpt180 -82.03 -23.37 35.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 147' ' ' LEU . . . . . 0.666 HD13 ' HG3' ' A' ' 44' ' ' MET . 19.4 mt -69.35 -24.56 63.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 148' ' ' LEU . . . . . 0.403 HD11 HG22 ' A' ' 51' ' ' THR . 4.3 mm? -58.15 -22.98 53.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.967 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -80.42 -17.76 50.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.978 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 150' ' ' GLU . . . . . 0.449 ' OE1' HG23 ' A' ' 32' ' ' ILE . 8.0 mm-40 -65.74 -32.24 73.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 151' ' ' THR . . . . . 0.405 HG22 HD11 ' A' ' 48' ' ' LEU . 26.3 p -51.46 -30.23 19.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.138 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -54.64 -27.28 38.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -72.32 -30.45 64.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 3.4 m -113.73 22.13 5.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.153 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 155' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -122.73 68.19 32.16 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.633 0.73 . . . . 0.0 110.898 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 156' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 170.48 16.5 Favored 'Trans proline' 0 N--CA 1.464 -0.238 0 C-N-CA 122.735 2.29 . . . . 0.0 112.362 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 157' ' ' LEU . . . . . 0.412 ' C ' HD23 ' B' ' 157' ' ' LEU . 9.1 tt -60.88 -42.16 97.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.966 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 158' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.488 179.892 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.768 0.318 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -97.26 158.53 15.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -64.4 -69.46 0.28 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.513 ' O ' ' HB3' ' A' ' 5' ' ' ALA . 6.5 mmm180 -107.53 -72.96 0.7 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' A' ' 4' ' ' ARG . . . 72.22 30.93 1.99 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.121 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 m -89.51 112.48 51.89 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.624 0.726 . . . . 0.0 110.862 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.81 -46.65 1.13 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.67 2.246 . . . . 0.0 112.321 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.1 mt -59.67 -54.68 43.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.924 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.717 ' HA ' HD12 ' A' ' 12' ' ' ILE . 31.1 p -53.18 -31.53 43.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 59.1 m -73.15 -34.19 65.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.851 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.679 ' O ' HG23 ' A' ' 15' ' ' VAL . 41.4 mm -76.79 -40.09 31.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.098 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.717 HD12 ' HA ' ' A' ' 9' ' ' THR . 14.6 mt -59.74 -41.72 86.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.5 p -69.35 -36.3 76.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.821 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.49 -43.25 66.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.103 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 11' ' ' ILE . 97.0 t -60.07 -54.25 37.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.054 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.699 HG13 HG13 ' B' ' 116' ' ' VAL . 57.6 t -51.46 -54.94 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.085 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.587 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -44.6 -53.9 6.84 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.488 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.676 ' O ' HG23 ' A' ' 22' ' ' VAL . 36.1 mt -68.05 -33.43 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.866 0.365 . . . . 0.0 111.066 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.669 ' CD1' HG12 ' A' ' 15' ' ' VAL . 31.0 mt -59.52 -51.04 71.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.987 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.432 HD12 HG12 ' A' ' 16' ' ' VAL . 1.4 mt -60.2 -41.78 93.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 17' ' ' GLY . 44.3 t -67.66 -27.46 38.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.086 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 18' ' ' ILE . 40.0 t -74.96 -54.9 13.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.188 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.585 ' O ' HG23 ' A' ' 27' ' ' VAL . 4.4 m -49.15 -48.46 17.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.097 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.497 HD23 HD21 ' B' ' 124' ' ' LEU . 13.1 mt -58.64 -51.66 68.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.94 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -46.43 -39.06 9.71 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.472 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 94.4 t -70.17 -39.17 76.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.833 0.349 . . . . 0.0 111.08 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 23' ' ' VAL . 12.5 t -68.71 -42.6 83.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.088 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -63.72 -48.07 78.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.503 -179.968 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 121.026 0.441 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 53.3 m -51.58 -52.36 47.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.14 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.571 ' HG2' HD11 ' B' ' 147' ' ' LEU . 22.2 mtt -59.44 -46.96 87.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.05 -40.79 61.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.938 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.5 tpp180 -81.26 -23.35 38.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.787 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.552 HD11 ' HG2' ' B' ' 144' ' ' MET . 17.0 mt -68.62 -26.58 65.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.427 HD23 ' O ' ' A' ' 44' ' ' MET . 4.3 mm? -58.3 -22.93 54.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -80.36 -17.18 52.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -64.89 -32.02 73.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 36.2 p -51.35 -29.93 16.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.199 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -54.45 -27.42 37.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -72.49 -30.67 64.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.958 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.5 m -113.35 23.6 4.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.1 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -124.57 69.09 53.19 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.631 0.729 . . . . 0.0 110.911 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--O 1.232 0.203 0 C-N-CA 122.706 2.271 . . . . 0.0 112.321 -179.958 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 116' ' ' VAL . . . . . 0.699 HG13 HG13 ' A' ' 16' ' ' VAL . 57.5 t . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.84 0.353 . . . . 0.0 111.107 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 117' ' ' GLY . . . . . 0.554 ' O ' HG23 ' B' ' 121' ' ' VAL . . . -43.75 -54.34 5.87 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.437 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 118' ' ' ILE . . . . . 0.66 ' O ' HG23 ' B' ' 122' ' ' VAL . 31.7 mt -67.66 -33.62 63.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.915 0.388 . . . . 0.0 111.165 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 119' ' ' LEU . . . . . 0.607 HD12 ' HA ' ' B' ' 116' ' ' VAL . 33.4 mt -59.24 -50.72 72.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.95 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 120' ' ' LEU . . . . . 0.454 HD12 HG12 ' B' ' 116' ' ' VAL . 1.4 mt -60.25 -42.16 94.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.952 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 121' ' ' VAL . . . . . 0.554 HG23 ' O ' ' B' ' 117' ' ' GLY . 42.4 t -68.22 -27.16 36.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.18 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 122' ' ' VAL . . . . . 0.66 HG23 ' O ' ' B' ' 118' ' ' ILE . 39.8 t -76.76 -53.82 14.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.195 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 123' ' ' VAL . . . . . 0.435 HG23 ' N ' ' B' ' 124' ' ' LEU . 6.3 m -49.48 -48.45 19.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.111 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . 0.497 HD21 HD23 ' A' ' 24' ' ' LEU . 13.3 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 141' ' ' LYS . . . . . . . . . . . . . 32.0 mmtm . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.795 0.331 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 142' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -51.26 -31.42 20.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 143' ' ' THR . . . . . . . . . . . . . 57.7 m -52.07 -54.57 28.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.152 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 144' ' ' MET . . . . . 0.552 ' HG2' HD11 ' A' ' 47' ' ' LEU . 23.1 mtt -58.17 -47.67 82.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.2 -40.81 62.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.93 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 146' ' ' ARG . . . . . . . . . . . . . 15.5 tpp180 -81.14 -23.25 38.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 147' ' ' LEU . . . . . 0.571 HD11 ' HG2' ' A' ' 44' ' ' MET . 17.2 mt -68.55 -26.87 65.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 148' ' ' LEU . . . . . 0.422 HD23 ' O ' ' B' ' 144' ' ' MET . 4.3 mm? -58.2 -22.92 53.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.943 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -80.66 -16.79 53.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -65.05 -31.78 73.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 36.8 p -51.19 -30.0 15.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.114 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -54.35 -27.45 36.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.945 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -72.69 -30.87 64.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.915 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 3.5 m -113.2 24.0 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.146 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 155' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 . . . . . 0 C--N 1.33 -0.246 0 CA-C-O 121.629 0.728 . . . . 0.0 110.906 179.977 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.809 0.338 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -146.87 -179.43 6.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.839 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -117.32 8.36 13.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.931 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 72.9 mtt-85 -95.0 46.09 1.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.6 37.31 1.48 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.103 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 m -76.77 114.64 40.95 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.667 0.746 . . . . 0.0 110.861 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -44.69 1.9 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.634 2.223 . . . . 0.0 112.348 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 mt -61.57 -54.61 40.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.748 ' HA ' HD12 ' A' ' 12' ' ' ILE . 34.6 p -52.69 -33.04 45.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.118 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.3 m -70.94 -34.23 71.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.871 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.693 ' O ' HG23 ' A' ' 15' ' ' VAL . 37.9 mm -74.95 -38.03 42.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.139 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.748 HD12 ' HA ' ' A' ' 9' ' ' THR . 25.8 mt -59.89 -57.9 9.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.085 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 55.8 p -57.49 -32.84 67.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.833 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.17 -41.76 66.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.083 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 11' ' ' ILE . 77.9 t -64.14 -55.7 20.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.156 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.887 HG13 ' CG1' ' B' ' 116' ' ' VAL . 4.7 t -49.65 -50.67 17.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.099 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -50.18 -56.61 12.01 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.494 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.539 ' O ' HG23 ' A' ' 22' ' ' VAL . 60.5 mt -60.81 -44.96 98.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.843 0.354 . . . . 0.0 111.102 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.3 mt -52.55 -52.07 56.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.74 HD12 ' O ' ' A' ' 16' ' ' VAL . 0.9 OUTLIER -54.0 -41.55 68.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 179.875 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 99.8 t -66.11 -27.3 40.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 18' ' ' ILE . 99.9 t -75.71 -55.42 11.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.175 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.768 ' O ' HG23 ' A' ' 27' ' ' VAL . 16.8 m -48.29 -41.92 11.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.121 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.464 HD23 ' HA ' ' A' ' 24' ' ' LEU . 12.6 mt -64.77 -52.17 58.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.937 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -46.3 -37.3 8.07 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.464 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 84.9 t -73.7 -38.56 51.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.851 0.358 . . . . 0.0 111.134 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.768 HG23 ' O ' ' A' ' 23' ' ' VAL . 15.9 t -69.2 -41.01 81.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.168 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -63.73 -49.2 73.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.839 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.483 -179.976 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 12.4 t80 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.954 0.407 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 98.9 m -51.75 -48.7 63.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.14 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.548 ' HG2' HD22 ' B' ' 147' ' ' LEU . 23.8 mtt -82.23 -43.86 17.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.23 -35.22 59.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 25.5 tpt180 -74.78 -23.64 58.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.496 HD22 ' HG2' ' B' ' 144' ' ' MET . 12.3 mt -80.43 -21.6 41.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.666 HD11 HG22 ' B' ' 151' ' ' THR . 4.2 mm? -58.54 -22.75 56.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -76.92 -8.58 57.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.905 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -81.71 -29.87 32.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.717 HG22 HD11 ' B' ' 148' ' ' LEU . 40.6 p -52.09 -28.76 18.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.127 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -56.34 -24.96 47.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.937 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -73.51 -22.74 60.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.937 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 1.6 m -115.7 13.2 7.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.55 161.75 22.07 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.64 0.733 . . . . 0.0 110.929 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo . . . . . 0 C--N 1.341 0.178 0 C-N-CA 122.713 2.275 . . . . 0.0 112.298 -179.931 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 116' ' ' VAL . . . . . 0.887 ' CG1' HG13 ' A' ' 16' ' ' VAL . 3.8 t . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.9 0.381 . . . . 0.0 111.147 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -49.87 -57.43 9.8 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.488 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 118' ' ' ILE . . . . . 0.558 ' O ' HG23 ' B' ' 122' ' ' VAL . 62.1 mt -60.18 -45.95 95.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.856 0.36 . . . . 0.0 111.131 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 18.2 mt -51.58 -51.45 55.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 120' ' ' LEU . . . . . 0.735 HD12 ' O ' ' B' ' 116' ' ' VAL . 0.8 OUTLIER -54.97 -41.76 71.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.936 179.877 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 96.5 t -66.58 -26.91 38.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 122' ' ' VAL . . . . . 0.558 HG23 ' O ' ' B' ' 118' ' ' ILE . 97.6 t -76.75 -54.8 12.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.12 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 123' ' ' VAL . . . . . 0.622 HG21 HD23 ' A' ' 20' ' ' LEU . 19.0 m -48.73 -41.85 12.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.098 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' B' ' 124' ' ' LEU . 13.1 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 141' ' ' LYS . . . . . . . . . . . . . 16.8 ttmt . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.796 0.331 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 142' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -107.81 1.03 22.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 143' ' ' THR . . . . . . . . . . . . . 99.0 m -51.94 -56.08 16.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.153 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 144' ' ' MET . . . . . 0.496 ' HG2' HD22 ' A' ' 47' ' ' LEU . 23.5 mtt -85.53 -40.22 16.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.53 -35.74 61.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 146' ' ' ARG . . . . . . . . . . . . . 25.3 tpt180 -74.52 -23.52 58.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 147' ' ' LEU . . . . . 0.548 HD22 ' HG2' ' A' ' 44' ' ' MET . 12.3 mt -79.71 -21.73 44.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 148' ' ' LEU . . . . . 0.717 HD11 HG22 ' A' ' 51' ' ' THR . 4.3 mm? -58.86 -22.85 59.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.945 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -76.89 -8.88 58.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.938 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -80.62 -30.5 36.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 151' ' ' THR . . . . . 0.666 HG22 HD11 ' A' ' 48' ' ' LEU . 40.4 p -51.8 -29.13 17.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.131 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -55.95 -26.61 48.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -73.73 -25.41 60.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.918 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 2.7 m -116.7 21.41 6.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.102 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 155' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 . . . . . 0 C--N 1.33 -0.257 0 CA-C-O 121.599 0.714 . . . . 0.0 110.877 -179.965 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.734 0.302 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -160.14 163.91 33.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.913 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -94.81 -178.14 4.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.97 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 13.6 mtp180 56.04 58.47 4.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.82 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -134.01 32.21 3.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.17 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -90.43 114.22 60.34 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-O 121.673 0.749 . . . . 0.0 110.85 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -44.44 2.07 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.701 2.267 . . . . 0.0 112.281 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.8 mt -59.42 -55.06 39.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.666 ' HA ' HD12 ' A' ' 12' ' ' ILE . 65.3 p -55.11 -29.15 57.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.182 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 56.5 m -73.95 -32.52 63.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.844 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.671 ' O ' HG23 ' A' ' 15' ' ' VAL . 41.7 mm -79.13 -38.42 20.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.083 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.666 HD12 ' HA ' ' A' ' 9' ' ' THR . 19.5 mt -61.21 -44.76 98.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.156 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 88.4 p -69.26 -32.47 71.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.18 -42.56 62.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.085 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.671 HG23 ' O ' ' A' ' 11' ' ' ILE . 82.8 t -61.82 -61.68 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.127 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.767 ' HA ' HD12 ' A' ' 19' ' ' LEU . 61.6 t -47.76 -46.77 11.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.149 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -49.56 -57.92 8.86 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.504 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.735 ' O ' HG23 ' A' ' 22' ' ' VAL . 42.8 mt -61.99 -35.24 67.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.902 0.382 . . . . 0.0 111.156 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.767 HD12 ' HA ' ' A' ' 16' ' ' VAL . 62.0 mt -59.46 -54.28 48.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.967 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.534 HD12 HG12 ' A' ' 16' ' ' VAL . 1.0 OUTLIER -53.99 -38.6 65.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.963 179.823 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 67.7 t -69.05 -38.93 78.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.07 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.735 HG23 ' O ' ' A' ' 18' ' ' ILE . 96.0 t -68.15 -54.67 20.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.152 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.839 ' O ' HG23 ' A' ' 27' ' ' VAL . 18.0 m -47.77 -44.51 10.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.058 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.464 HD23 ' HA ' ' A' ' 24' ' ' LEU . 12.5 mt -58.36 -59.23 5.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.883 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -43.86 -36.63 3.75 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.432 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 93.1 t -74.41 -42.37 49.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.829 0.347 . . . . 0.0 111.122 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.839 HG23 ' O ' ' A' ' 23' ' ' VAL . 16.4 t -62.45 -39.11 83.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.161 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -67.24 -55.26 14.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.898 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.245 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.448 -179.905 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.891 0.377 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 78.7 m -54.55 -68.13 0.21 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.179 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 19.9 mmt -52.0 -52.33 51.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.864 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.36 -36.5 53.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.934 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.6 tpt85 -81.21 -23.58 38.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 35.9 mt -71.82 -16.72 62.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -57.64 -22.85 47.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.933 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -83.3 -19.12 36.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.944 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -73.54 -30.49 63.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 43.8 p -53.83 -27.12 27.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.183 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.526 ' CG ' HD22 ' A' ' 53' ' ' LEU . 18.3 pt-20 -54.98 -26.33 35.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.526 HD22 ' CG ' ' A' ' 52' ' ' GLU . 4.3 mm? -73.7 -28.88 61.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.0 m -114.74 21.37 6.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.159 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -113.71 74.06 2.32 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.607 0.718 . . . . 0.0 110.85 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo . . . . . 0 C--O 1.232 0.189 0 C-N-CA 122.674 2.249 . . . . 0.0 112.328 -179.988 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 116' ' ' VAL . . . . . 0.741 ' HA ' HD12 ' B' ' 119' ' ' LEU . 67.0 t . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.783 0.325 . . . . 0.0 111.149 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -49.62 -58.03 8.79 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.453 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 118' ' ' ILE . . . . . 0.723 ' O ' HG23 ' B' ' 122' ' ' VAL . 44.2 mt -61.69 -35.29 66.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.915 0.388 . . . . 0.0 111.18 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 119' ' ' LEU . . . . . 0.741 HD12 ' HA ' ' B' ' 116' ' ' VAL . 66.0 mt -59.37 -54.83 42.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.882 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 120' ' ' LEU . . . . . 0.507 HD12 HG12 ' B' ' 116' ' ' VAL . 1.0 OUTLIER -53.3 -39.0 63.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.946 179.876 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 70.9 t -68.39 -38.22 79.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.063 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 122' ' ' VAL . . . . . 0.723 HG23 ' O ' ' B' ' 118' ' ' ILE . 99.7 t -68.28 -55.68 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.133 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 123' ' ' VAL . . . . . 0.478 HG21 HD23 ' A' ' 20' ' ' LEU . 16.2 m -46.89 -44.5 7.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.156 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . 0.458 HD23 ' HA ' ' B' ' 124' ' ' LEU . 12.5 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.939 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 141' ' ' LYS . . . . . . . . . . . . . 19.4 mtpt . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.732 0.301 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 142' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -76.92 -5.23 47.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.002 0.43 . . . . 0.0 110.962 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 143' ' ' THR . . . . . . . . . . . . . 88.2 m -54.9 -68.56 0.18 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.155 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 20.1 mmt -52.5 -51.98 56.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.51 -36.44 55.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.821 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 146' ' ' ARG . . . . . . . . . . . . . 13.9 tpt85 -81.24 -23.62 37.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 147' ' ' LEU . . . . . . . . . . . . . 37.4 mt -71.7 -16.68 62.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 148' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -57.68 -22.85 48.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.947 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -83.13 -18.75 38.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -73.23 -30.48 63.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 44.7 p -53.42 -27.55 25.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.131 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 152' ' ' GLU . . . . . 0.529 ' CG ' HD22 ' B' ' 153' ' ' LEU . 18.3 pt-20 -55.0 -26.6 37.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.895 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 153' ' ' LEU . . . . . 0.529 HD22 ' CG ' ' B' ' 152' ' ' GLU . 4.3 mm? -73.89 -28.96 61.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.928 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 3.1 m -114.66 22.3 5.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.079 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 155' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 121.586 0.708 . . . . 0.0 110.888 -179.98 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.099 0 CA-C-O 120.781 0.324 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -158.27 167.05 30.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 8.3 tp60 -99.05 171.92 7.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 16.4 mmt180 63.66 61.16 1.02 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.946 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -135.91 33.26 2.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.125 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.1 m -90.72 114.4 61.17 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.611 0.72 . . . . 0.0 110.941 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 -45.66 1.53 Allowed 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.715 2.277 . . . . 0.0 112.361 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.7 mp -59.56 -55.17 37.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.898 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.613 ' HA ' HD12 ' A' ' 12' ' ' ILE . 43.4 p -53.94 -30.44 46.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.178 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 57.2 m -73.68 -31.85 63.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.857 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.652 ' O ' HG23 ' A' ' 15' ' ' VAL . 39.6 mm -79.96 -38.86 19.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.138 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.613 HD12 ' HA ' ' A' ' 9' ' ' THR . 21.9 mt -60.62 -44.59 97.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.184 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.7 m -70.14 -32.59 70.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.835 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.98 -42.41 63.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.075 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 11' ' ' ILE . 75.5 t -62.17 -61.75 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.772 ' HA ' HD12 ' A' ' 19' ' ' LEU . 64.3 t -47.67 -46.3 11.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.16 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -50.13 -57.96 9.39 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.451 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.724 ' O ' HG23 ' A' ' 22' ' ' VAL . 43.8 mt -62.16 -35.25 67.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.862 0.363 . . . . 0.0 111.108 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.772 HD12 ' HA ' ' A' ' 16' ' ' VAL . 63.1 mt -59.08 -54.47 46.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.506 HD12 HG12 ' A' ' 16' ' ' VAL . 1.0 OUTLIER -54.16 -39.03 66.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 179.915 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 63.9 t -68.97 -38.09 78.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.077 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 18' ' ' ILE . 93.1 t -68.6 -55.12 17.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.836 ' O ' HG23 ' A' ' 27' ' ' VAL . 18.0 m -47.56 -44.23 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.181 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.456 HD23 ' HA ' ' A' ' 24' ' ' LEU . 12.7 mt -58.67 -58.54 8.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -44.42 -36.2 4.25 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.449 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 84.4 t -74.96 -40.78 45.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.829 0.347 . . . . 0.0 111.139 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.836 HG23 ' O ' ' A' ' 23' ' ' VAL . 17.6 t -64.31 -38.64 83.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -67.99 -52.28 37.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.219 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.478 -179.98 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.987 0.422 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 96.2 m -52.3 -47.98 65.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.128 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.409 ' HG2' HD13 ' B' ' 147' ' ' LEU . 11.9 mtt -62.81 -43.28 99.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.825 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.49 -39.27 57.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.85 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 20.0 tpt180 -81.73 -23.64 36.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.835 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 19.1 mt -69.28 -24.11 63.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.404 HD23 ' O ' ' A' ' 44' ' ' MET . 4.3 mm? -58.48 -22.89 56.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.007 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -80.6 -16.28 54.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.959 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -67.79 -30.34 69.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 24.0 p -51.21 -30.43 17.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.148 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.53 ' CG ' HD22 ' A' ' 53' ' ' LEU . 14.0 pt-20 -54.18 -31.44 52.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.53 HD22 ' CG ' ' A' ' 52' ' ' GLU . 4.3 mm? -67.52 -30.21 69.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.927 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.3 m -114.1 21.59 6.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.155 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -123.47 68.19 39.52 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.696 0.76 . . . . 0.0 110.89 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.232 0.2 0 C-N-CA 122.644 2.229 . . . . 0.0 112.391 179.982 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 116' ' ' VAL . . . . . 0.732 ' HA ' HD12 ' B' ' 119' ' ' LEU . 66.3 t . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.862 0.363 . . . . 0.0 111.11 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -50.22 -58.08 9.31 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.487 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 118' ' ' ILE . . . . . 0.714 ' O ' HG23 ' B' ' 122' ' ' VAL . 43.7 mt -61.76 -35.44 67.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.894 0.378 . . . . 0.0 111.105 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 119' ' ' LEU . . . . . 0.732 HD12 ' HA ' ' B' ' 116' ' ' VAL . 64.6 mt -58.97 -54.77 43.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 120' ' ' LEU . . . . . 0.493 HD12 HG12 ' B' ' 116' ' ' VAL . 1.0 OUTLIER -53.64 -39.23 64.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 179.935 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 66.0 t -68.53 -38.32 78.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.108 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 122' ' ' VAL . . . . . 0.714 HG23 ' O ' ' B' ' 118' ' ' ILE . 86.5 t -68.34 -55.55 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.189 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 123' ' ' VAL . . . . . 0.466 HG21 HD23 ' A' ' 20' ' ' LEU . 17.2 m -47.03 -44.42 7.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.122 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . 0.455 HD23 ' HA ' ' B' ' 124' ' ' LEU . 12.5 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.949 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 141' ' ' LYS . . . . . . . . . . . . . 34.6 mmtm . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.736 0.303 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 142' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -80.9 -26.11 37.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 143' ' ' THR . . . . . . . . . . . . . 98.9 m -52.22 -48.75 64.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.141 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 12.3 mtt -63.47 -44.15 95.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.835 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.02 -39.06 58.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.855 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 146' ' ' ARG . . . . . . . . . . . . . 19.8 tpt180 -81.61 -23.62 36.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 147' ' ' LEU . . . . . 0.409 HD13 ' HG2' ' A' ' 44' ' ' MET . 19.5 mt -69.03 -24.08 64.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 148' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -58.47 -22.9 56.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -80.46 -16.31 54.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -67.82 -30.15 69.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.832 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 23.9 p -51.02 -30.52 15.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.149 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 152' ' ' GLU . . . . . 0.529 ' CG ' HD22 ' B' ' 153' ' ' LEU . 14.1 pt-20 -54.45 -31.43 55.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.846 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 153' ' ' LEU . . . . . 0.529 HD22 ' CG ' ' B' ' 152' ' ' GLU . 4.3 mm? -67.6 -29.73 69.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 3.2 m -114.24 21.22 6.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.149 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 155' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 . . . . . 0 C--N 1.33 -0.279 0 CA-C-O 121.678 0.752 . . . . 0.0 110.851 -179.948 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.769 0.319 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -148.67 175.49 11.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.874 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -112.29 -175.57 2.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 13.0 ptt-85 38.28 54.14 1.75 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -122.87 25.65 8.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.108 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 m -83.7 113.89 50.17 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.648 0.737 . . . . 0.0 110.902 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -40.67 4.97 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.691 2.26 . . . . 0.0 112.303 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -63.67 -55.25 24.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.952 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.783 ' HA ' HD12 ' A' ' 12' ' ' ILE . 68.8 p -53.68 -31.01 46.09 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.174 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 49.6 m -72.86 -33.53 66.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.604 ' O ' HG23 ' A' ' 15' ' ' VAL . 37.5 mm -79.87 -33.75 14.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.139 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.783 HD12 ' HA ' ' A' ' 9' ' ' THR . 24.7 mt -63.69 -43.34 98.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.089 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.1 p -72.83 -30.12 63.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.798 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.81 -45.72 34.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.143 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 11' ' ' ILE . 78.4 t -60.47 -62.82 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.078 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.757 HG13 HG13 ' B' ' 116' ' ' VAL . 56.3 t -48.87 -47.07 16.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.124 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.461 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -47.15 -56.55 7.76 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.528 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.684 ' O ' HG23 ' A' ' 22' ' ' VAL . 39.7 mt -65.34 -34.59 71.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.878 0.37 . . . . 0.0 111.091 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.4 mt -57.92 -52.33 65.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.953 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.556 HD12 HG12 ' A' ' 16' ' ' VAL . 0.9 OUTLIER -58.18 -43.03 87.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 179.905 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 17' ' ' GLY . 47.9 t -67.15 -26.88 37.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.115 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.684 HG23 ' O ' ' A' ' 18' ' ' ILE . 43.3 t -75.66 -54.32 14.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.139 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.669 ' O ' HG23 ' A' ' 27' ' ' VAL . 5.2 m -49.51 -46.41 20.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.156 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.452 HD21 HD23 ' B' ' 124' ' ' LEU . 13.2 mt -61.65 -52.28 65.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -45.66 -38.14 7.28 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.499 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 94.6 t -72.04 -40.21 67.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.879 0.371 . . . . 0.0 111.137 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 23' ' ' VAL . 13.8 t -67.39 -43.1 87.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -61.23 -50.78 71.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.902 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.244 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.495 -179.985 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.978 0.418 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 65.7 m -55.3 -74.38 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.078 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 13.1 mmm -52.95 -48.66 67.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.874 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.66 -32.58 52.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.0 tpp180 -82.16 -23.55 35.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.478 HD22 ' SD ' ' B' ' 144' ' ' MET . 51.2 mt -75.06 -17.68 60.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -58.41 -22.76 55.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.98 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -80.4 -15.92 55.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.972 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -77.43 -22.41 51.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 45.1 p -52.13 -29.04 20.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.526 ' CG ' HD22 ' A' ' 53' ' ' LEU . 15.0 pt-20 -54.95 -26.9 39.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.526 HD22 ' CG ' ' A' ' 52' ' ' GLU . 4.3 mm? -74.18 -28.9 61.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.905 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.0 m -114.5 21.44 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.07 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -84.24 162.15 52.46 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.577 0.703 . . . . 0.0 110.912 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.232 0.223 0 C-N-CA 122.694 2.263 . . . . 0.0 112.332 179.999 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 116' ' ' VAL . . . . . 0.757 HG13 HG13 ' A' ' 16' ' ' VAL . 57.9 t . . . . . 0 N--CA 1.458 -0.048 0 CA-C-O 120.87 0.367 . . . . 0.0 111.092 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 117' ' ' GLY . . . . . 0.47 ' O ' HG23 ' B' ' 121' ' ' VAL . . . -47.14 -56.29 7.99 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.462 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 118' ' ' ILE . . . . . 0.702 ' O ' HG23 ' B' ' 122' ' ' VAL . 41.5 mt -65.2 -34.6 71.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.835 0.35 . . . . 0.0 111.171 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 12.5 mt -57.95 -52.99 63.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.913 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 120' ' ' LEU . . . . . 0.514 HD12 HG12 ' B' ' 116' ' ' VAL . 1.0 OUTLIER -57.53 -43.01 84.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 121' ' ' VAL . . . . . 0.47 HG23 ' O ' ' B' ' 117' ' ' GLY . 47.9 t -66.44 -27.96 41.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 122' ' ' VAL . . . . . 0.702 HG23 ' O ' ' B' ' 118' ' ' ILE . 49.0 t -74.05 -55.51 12.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.15 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 123' ' ' VAL . . . . . 0.43 HG21 HD23 ' A' ' 20' ' ' LEU . 4.4 m -48.57 -46.36 14.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.117 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . 0.455 HD23 ' HA ' ' B' ' 124' ' ' LEU . 12.4 mt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.024 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 141' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.83 0.347 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 142' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -58.55 -24.98 61.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.894 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 143' ' ' THR . . . . . . . . . . . . . 66.9 m -52.0 -65.74 0.5 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.079 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 144' ' ' MET . . . . . 0.478 ' SD ' HD22 ' A' ' 47' ' ' LEU . 8.8 mmm -49.84 -49.26 49.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.82 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -52.9 -35.2 57.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.818 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 146' ' ' ARG . . . . . . . . . . . . . 15.1 tpp180 -82.3 -23.4 35.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.868 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 147' ' ' LEU . . . . . . . . . . . . . 52.3 mt -72.77 -16.55 61.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.96 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 148' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -57.73 -22.9 49.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -80.67 -16.86 52.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -78.26 -21.23 50.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 45.8 p -51.38 -29.86 17.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.172 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 152' ' ' GLU . . . . . 0.54 ' CG ' HD22 ' B' ' 153' ' ' LEU . 15.0 pt-20 -55.07 -27.05 41.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 153' ' ' LEU . . . . . 0.54 HD22 ' CG ' ' B' ' 152' ' ' GLU . 4.3 mm? -74.43 -28.68 61.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 3.0 m -114.3 22.06 5.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.131 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 155' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 . . . . . 0 C--N 1.33 -0.257 0 CA-C-O 121.605 0.716 . . . . 0.0 110.861 -179.93 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.742 0.305 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -162.23 163.73 28.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.906 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -95.89 -175.57 3.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.97 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.5 mtp-105 57.74 48.56 13.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.783 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -129.07 29.17 5.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.07 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.8 m -87.11 114.3 57.8 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.654 0.74 . . . . 0.0 110.779 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.79 -43.01 2.88 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.743 2.296 . . . . 0.0 112.261 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.92 -55.06 33.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.58 ' HA ' HD12 ' A' ' 12' ' ' ILE . 48.7 p -54.92 -27.44 43.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.059 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 68.6 m -75.01 -34.56 61.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.863 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.678 ' O ' HG23 ' A' ' 15' ' ' VAL . 42.7 mm -77.05 -40.74 30.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.136 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.58 HD12 ' HA ' ' A' ' 9' ' ' THR . 17.8 mt -59.96 -44.59 94.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.174 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.2 m -67.08 -33.85 76.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.817 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.97 -42.62 63.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.144 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.678 HG23 ' O ' ' A' ' 11' ' ' ILE . 97.6 t -61.19 -55.32 25.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.091 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.71 HG13 HG13 ' B' ' 116' ' ' VAL . 60.8 t -51.64 -52.39 21.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.172 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.569 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -46.19 -53.99 8.8 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.49 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.689 ' O ' HG23 ' A' ' 22' ' ' VAL . 39.0 mt -67.77 -34.01 65.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.915 0.388 . . . . 0.0 111.17 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.661 ' CD1' HG12 ' A' ' 15' ' ' VAL . 33.5 mt -58.91 -51.05 71.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.449 HD12 HG12 ' A' ' 16' ' ' VAL . 1.3 mt -60.16 -41.72 93.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.937 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 17' ' ' GLY . 46.0 t -67.88 -27.69 38.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.1 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.689 HG23 ' O ' ' A' ' 18' ' ' ILE . 42.5 t -74.92 -54.93 13.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.099 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.622 ' O ' HG23 ' A' ' 27' ' ' VAL . 5.0 m -49.22 -47.83 18.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.223 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.445 HD23 HD21 ' B' ' 124' ' ' LEU . 13.3 mt -59.53 -51.38 70.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.933 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -46.41 -39.12 9.7 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.525 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 90.9 t -70.66 -39.21 75.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.891 0.377 . . . . 0.0 111.137 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 23' ' ' VAL . 11.2 t -68.59 -43.54 83.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.214 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -61.37 -51.96 66.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.486 -179.955 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.946 0.403 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 96.5 m -55.72 -59.3 5.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.169 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.451 ' O ' HD23 ' A' ' 48' ' ' LEU . 0.9 OUTLIER -51.52 -40.82 60.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 179.889 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.19 -33.75 54.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.813 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 28.4 tpt180 -82.32 -33.63 28.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.22 -36.5 83.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.946 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.451 HD23 ' O ' ' A' ' 44' ' ' MET . 4.1 mm? -56.91 -24.51 52.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -84.45 -21.66 30.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -73.88 -24.18 59.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 45.6 p -51.9 -29.02 18.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.178 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.55 ' CG ' HD22 ' A' ' 53' ' ' LEU . 16.2 pt-20 -54.97 -26.69 38.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.55 HD22 ' CG ' ' A' ' 52' ' ' GLU . 4.3 mm? -74.7 -28.91 61.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.947 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.1 m -114.63 23.11 5.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.152 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -84.93 162.13 50.69 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.605 0.717 . . . . 0.0 110.933 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.233 0.239 0 C-N-CA 122.659 2.239 . . . . 0.0 112.37 -179.972 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 116' ' ' VAL . . . . . 0.71 HG13 HG13 ' A' ' 16' ' ' VAL . 57.5 t . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.872 0.368 . . . . 0.0 111.152 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 117' ' ' GLY . . . . . 0.535 ' O ' HG23 ' B' ' 121' ' ' VAL . . . -44.95 -54.89 6.63 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.489 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 118' ' ' ILE . . . . . 0.681 ' O ' HG23 ' B' ' 122' ' ' VAL . 36.1 mt -66.62 -34.61 71.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.899 0.381 . . . . 0.0 111.118 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 119' ' ' LEU . . . . . 0.649 HD12 ' HA ' ' B' ' 116' ' ' VAL . 35.5 mt -58.65 -51.28 70.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 120' ' ' LEU . . . . . 0.475 HD12 HG12 ' B' ' 116' ' ' VAL . 1.2 mt -59.2 -41.98 89.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 121' ' ' VAL . . . . . 0.535 HG23 ' O ' ' B' ' 117' ' ' GLY . 43.3 t -68.26 -27.19 36.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.077 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 122' ' ' VAL . . . . . 0.681 HG23 ' O ' ' B' ' 118' ' ' ILE . 47.1 t -76.61 -53.58 14.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.085 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 123' ' ' VAL . . . . . 0.424 HG23 ' N ' ' B' ' 124' ' ' LEU . 6.0 m -49.75 -47.62 21.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.174 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . 0.445 HD21 HD23 ' A' ' 24' ' ' LEU . 13.3 mt . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 141' ' ' LYS . . . . . . . . . . . . . 19.7 mttt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.818 0.342 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 142' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -82.86 -15.22 52.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.943 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 143' ' ' THR . . . . . . . . . . . . . 98.8 m -53.56 -62.06 1.9 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.199 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 144' ' ' MET . . . . . 0.451 ' O ' HD23 ' B' ' 148' ' ' LEU . 0.7 OUTLIER -50.94 -41.28 58.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.842 179.928 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.73 -33.63 56.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.808 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 146' ' ' ARG . . . . . . . . . . . . . 28.3 tpt180 -82.27 -34.05 28.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 147' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.11 -37.03 83.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 148' ' ' LEU . . . . . 0.451 HD23 ' O ' ' B' ' 144' ' ' MET . 4.1 mm? -56.82 -25.33 55.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.848 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -84.56 -21.83 30.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.901 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -73.88 -24.25 59.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.96 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 45.4 p -51.61 -29.75 18.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 152' ' ' GLU . . . . . 0.561 ' CG ' HD22 ' B' ' 153' ' ' LEU . 16.2 pt-20 -55.27 -26.64 41.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.879 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 153' ' ' LEU . . . . . 0.561 HD22 ' CG ' ' B' ' 152' ' ' GLU . 4.3 mm? -74.71 -28.38 60.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 2.9 m -114.42 23.05 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.083 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 155' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 . . . . . 0 C--N 1.33 -0.273 0 CA-C-O 121.667 0.746 . . . . 0.0 110.89 -179.983 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.747 0.308 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -159.36 170.01 22.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -100.92 -179.76 4.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.943 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.1 mtt180 59.25 53.64 5.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.821 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -132.79 31.4 3.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.107 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m -90.16 114.71 61.94 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.699 0.761 . . . . 0.0 110.885 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -43.9 2.4 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.699 2.266 . . . . 0.0 112.275 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.1 mt -62.56 -54.69 35.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.885 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.559 ' HA ' HD12 ' A' ' 12' ' ' ILE . 31.1 p -53.81 -28.83 37.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.096 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 70.0 m -74.0 -34.1 64.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.867 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.685 ' O ' HG23 ' A' ' 15' ' ' VAL . 41.9 mm -76.82 -40.95 32.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.095 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.559 HD12 ' HA ' ' A' ' 9' ' ' THR . 21.4 mt -59.38 -45.24 93.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.112 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 13.6 t -66.53 -34.49 78.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.831 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.73 -42.64 63.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.121 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 11' ' ' ILE . 94.7 t -60.48 -55.84 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.088 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.714 HG13 HG13 ' B' ' 116' ' ' VAL . 60.3 t -51.58 -52.68 19.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.123 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.546 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -45.18 -54.53 7.09 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.526 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.651 ' O ' HG23 ' A' ' 22' ' ' VAL . 34.9 mt -67.86 -33.97 64.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.84 0.352 . . . . 0.0 111.068 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.665 ' CD1' HG12 ' A' ' 15' ' ' VAL . 33.6 mt -58.61 -50.64 73.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.469 HD12 HG12 ' A' ' 16' ' ' VAL . 1.3 mt -60.78 -42.2 97.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.882 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 17' ' ' GLY . 43.7 t -68.56 -27.52 36.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.135 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.651 HG23 ' O ' ' A' ' 18' ' ' ILE . 36.8 t -75.7 -53.09 16.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.15 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.697 ' O ' HG23 ' A' ' 27' ' ' VAL . 6.5 m -50.7 -47.53 28.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.14 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.442 HD23 ' HA ' ' A' ' 24' ' ' LEU . 13.3 mt -61.97 -52.25 64.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -45.56 -38.64 7.35 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.435 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 87.8 t -71.61 -40.47 71.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.859 0.361 . . . . 0.0 111.123 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.697 HG23 ' O ' ' A' ' 23' ' ' VAL . 11.1 t -67.57 -44.15 86.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.052 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -60.38 -51.55 69.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.262 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.442 -179.987 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.989 0.423 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 75.1 m -53.36 -44.26 68.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.095 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 9.8 mmt -85.42 -49.77 7.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.818 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.75 -30.41 22.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.1 tpp180 -82.01 -31.23 31.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.834 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.8 mt -67.75 -20.06 65.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -57.81 -23.34 52.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -77.36 -18.96 56.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -73.01 -24.08 60.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.858 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.974 HG22 HD11 ' B' ' 148' ' ' LEU . 76.2 p -54.26 -28.29 40.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.16 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -60.74 -19.1 58.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -88.5 -24.63 22.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.952 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.561 HG11 ' CD ' ' B' ' 145' ' ' ARG . 2.6 m -116.93 25.35 4.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.11 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.428 ' HB2' ' HD2' ' A' ' 56' ' ' PRO . 3.6 pt-20 -146.64 160.04 42.48 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.647 0.736 . . . . 0.0 110.834 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.428 ' HD2' ' HB2' ' A' ' 55' ' ' GLU . 54.6 Cg_endo . . . . . 0 C--O 1.232 0.213 0 C-N-CA 122.688 2.259 . . . . 0.0 112.381 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 116' ' ' VAL . . . . . 0.714 HG13 HG13 ' A' ' 16' ' ' VAL . 59.5 t . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.905 0.383 . . . . 0.0 111.147 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 117' ' ' GLY . . . . . 0.544 ' O ' HG23 ' B' ' 121' ' ' VAL . . . -45.42 -54.64 7.32 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.441 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 118' ' ' ILE . . . . . 0.655 ' O ' HG23 ' B' ' 122' ' ' VAL . 35.2 mt -67.65 -33.86 64.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.934 0.397 . . . . 0.0 111.122 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 119' ' ' LEU . . . . . 0.602 HD12 ' HA ' ' B' ' 116' ' ' VAL . 33.8 mt -58.69 -50.78 72.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 120' ' ' LEU . . . . . 0.473 HD12 HG12 ' B' ' 116' ' ' VAL . 1.3 mt -60.49 -42.32 96.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.949 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 121' ' ' VAL . . . . . 0.544 HG23 ' O ' ' B' ' 117' ' ' GLY . 43.6 t -68.31 -27.58 37.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.086 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 122' ' ' VAL . . . . . 0.655 HG23 ' O ' ' B' ' 118' ' ' ILE . 37.3 t -75.45 -53.37 16.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.156 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 123' ' ' VAL . . . . . 0.423 HG23 ' N ' ' B' ' 124' ' ' LEU . 5.9 m -50.55 -47.5 27.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.15 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . 0.423 ' N ' HG23 ' B' ' 123' ' ' VAL . 13.3 mt . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.934 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 141' ' ' LYS . . . . . . . . . . . . . 21.7 mtpt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.821 0.344 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 142' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -62.91 -23.55 67.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 143' ' ' THR . . . . . . . . . . . . . 51.7 m -53.09 -38.95 63.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.202 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 6.7 mmt -78.12 -51.41 10.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.865 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 145' ' ' ARG . . . . . 0.561 ' CD ' HG11 ' A' ' 54' ' ' VAL . 0.3 OUTLIER -52.24 -30.23 26.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 -179.88 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 146' ' ' ARG . . . . . . . . . . . . . 15.9 tpp180 -82.16 -31.2 30.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 147' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' B' ' 147' ' ' LEU . 15.0 mt -67.24 -18.44 65.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 148' ' ' LEU . . . . . 0.974 HD11 HG22 ' A' ' 51' ' ' THR . 4.3 mm? -58.02 -22.88 51.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.977 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -77.22 -18.8 57.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.953 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -75.04 -22.7 58.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 82.4 p -54.58 -27.59 40.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.18 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -63.11 -17.9 62.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.868 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -90.7 -24.1 20.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.87 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 2.3 m -116.12 21.11 6.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.153 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 155' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 121.588 0.709 . . . . 0.0 110.87 -179.976 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.729 0.3 . . . . 0.0 111.08 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -123.69 -167.47 1.63 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.827 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.31 -65.54 1.18 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.94 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 18.5 ptt85 -106.13 106.99 17.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.99 35.73 1.94 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.047 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 m -87.38 114.28 57.95 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.675 0.75 . . . . 0.0 110.869 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -41.01 4.57 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.658 2.239 . . . . 0.0 112.371 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -64.74 -54.48 30.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.649 ' HA ' HD12 ' A' ' 12' ' ' ILE . 35.1 p -54.36 -28.19 41.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.109 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 65.5 m -74.0 -35.32 64.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.922 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.674 ' O ' HG23 ' A' ' 15' ' ' VAL . 44.0 mm -76.66 -40.34 32.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.151 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.666 ' O ' HG23 ' A' ' 16' ' ' VAL . 17.3 mt -59.7 -42.98 90.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.095 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 63.6 m -68.05 -35.92 79.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.66 -43.75 65.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.14 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.674 HG23 ' O ' ' A' ' 11' ' ' ILE . 96.8 t -59.64 -54.12 38.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.141 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.708 HG13 HG13 ' B' ' 116' ' ' VAL . 61.3 t -51.78 -55.05 10.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.091 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.445 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -43.99 -54.69 5.95 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.451 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.662 ' O ' HG23 ' A' ' 22' ' ' VAL . 33.0 mt -67.52 -34.13 66.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.881 0.372 . . . . 0.0 111.138 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.657 ' CD1' HG12 ' A' ' 15' ' ' VAL . 31.6 mt -58.57 -50.83 72.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.873 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.434 HD12 HG12 ' A' ' 16' ' ' VAL . 1.4 mt -60.27 -42.45 95.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.998 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 17' ' ' GLY . 59.9 t -68.22 -27.22 36.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.193 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 18' ' ' ILE . 39.1 t -76.17 -53.75 14.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.618 ' O ' HG23 ' A' ' 27' ' ' VAL . 5.7 m -49.85 -48.18 22.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.055 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.441 HD23 ' HA ' ' A' ' 24' ' ' LEU . 12.6 mt -59.88 -52.33 65.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -45.95 -39.51 8.93 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.536 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 96.3 t -69.73 -39.97 78.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.838 0.351 . . . . 0.0 111.076 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 23' ' ' VAL . 15.7 t -67.42 -43.7 87.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.153 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -61.62 -52.29 64.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.934 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.452 179.987 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.935 0.397 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 96.9 m -53.79 -58.35 7.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.066 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.426 ' O ' HD23 ' A' ' 48' ' ' LEU . 6.7 mtt -58.99 -38.31 78.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -54.34 -36.34 63.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.86 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.8 tpp180 -74.12 -25.74 59.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.81 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -76.17 -25.81 55.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.642 HD11 ' CG2' ' B' ' 151' ' ' THR . 4.4 mm? -62.07 -25.25 67.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.954 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -84.18 -19.9 33.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.423 ' HG3' ' HE1' ' B' ' 144' ' ' MET . 40.5 mm-40 -75.29 -22.58 57.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.631 ' CG2' HD11 ' B' ' 148' ' ' LEU . 40.1 p -51.43 -29.71 16.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.153 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -54.18 -27.71 35.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.891 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -72.87 -31.38 64.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.898 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.5 m -112.91 23.95 4.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -86.41 161.99 46.96 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.657 0.741 . . . . 0.0 110.84 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.196 0 C-N-CA 122.747 2.298 . . . . 0.0 112.324 -179.957 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 116' ' ' VAL . . . . . 0.708 HG13 HG13 ' A' ' 16' ' ' VAL . 61.6 t . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.92 0.39 . . . . 0.0 111.112 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 117' ' ' GLY . . . . . 0.448 ' O ' HG23 ' B' ' 121' ' ' VAL . . . -44.13 -54.36 6.21 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.454 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 118' ' ' ILE . . . . . 0.661 ' O ' HG23 ' B' ' 122' ' ' VAL . 33.3 mt -67.93 -33.81 63.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.898 0.38 . . . . 0.0 111.136 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 119' ' ' LEU . . . . . 0.544 HD12 ' HA ' ' B' ' 116' ' ' VAL . 30.5 mt -58.87 -50.6 73.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.882 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 120' ' ' LEU . . . . . 0.455 HD12 HG12 ' B' ' 116' ' ' VAL . 1.3 mt -60.58 -42.49 96.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 121' ' ' VAL . . . . . 0.448 HG23 ' O ' ' B' ' 117' ' ' GLY . 58.3 t -68.0 -27.07 36.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.157 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 122' ' ' VAL . . . . . 0.661 HG23 ' O ' ' B' ' 118' ' ' ILE . 38.4 t -75.88 -54.39 13.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.103 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 123' ' ' VAL . . . . . 0.425 HG23 ' N ' ' B' ' 124' ' ' LEU . 5.2 m -49.53 -48.41 19.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . 0.425 ' N ' HG23 ' B' ' 123' ' ' VAL . 12.3 mt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 141' ' ' LYS . . . . . . . . . . . . . 14.7 tttt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.771 0.32 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 142' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -92.27 14.4 16.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.893 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 143' ' ' THR . . . . . . . . . . . . . 97.5 m -56.27 -60.95 2.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.173 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 144' ' ' MET . . . . . 0.423 ' HE1' ' HG3' ' A' ' 50' ' ' GLU . 7.1 mtt -60.51 -37.52 81.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.921 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -54.31 -36.14 63.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 146' ' ' ARG . . . . . . . . . . . . . 16.9 tpp180 -74.4 -25.72 59.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 147' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -75.8 -25.4 56.35 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 148' ' ' LEU . . . . . 0.631 HD11 ' CG2' ' A' ' 51' ' ' THR . 4.4 mm? -62.3 -25.43 67.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.96 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 22.1 mm-40 -84.23 -19.63 33.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.985 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -75.39 -22.65 57.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 151' ' ' THR . . . . . 0.642 ' CG2' HD11 ' A' ' 48' ' ' LEU . 38.9 p -51.09 -30.02 14.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.187 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -54.4 -27.76 38.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.815 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -72.84 -31.04 64.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 3.5 m -112.97 24.21 4.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 155' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 . . . . . 0 C--N 1.329 -0.311 0 CA-C-O 121.66 0.743 . . . . 0.0 110.897 -179.978 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.059 0 CA-C-O 120.754 0.311 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -150.91 163.94 37.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.841 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -84.31 -175.22 5.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.972 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 18.3 mmt85 56.24 57.41 5.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.86 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -134.43 32.36 3.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.057 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.455 ' CB ' ' HG1' ' A' ' 9' ' ' THR . 11.5 t -93.75 114.25 62.56 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.694 0.759 . . . . 0.0 110.847 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -44.38 2.14 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.741 2.294 . . . . 0.0 112.335 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.4 mt -58.63 -55.33 36.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.674 ' HA ' HD12 ' A' ' 12' ' ' ILE . 70.6 p -55.55 -29.03 58.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.174 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 54.7 m -74.03 -32.64 63.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.918 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.67 ' O ' HG23 ' A' ' 15' ' ' VAL . 41.5 mm -79.41 -38.6 19.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.166 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.674 HD12 ' HA ' ' A' ' 9' ' ' THR . 18.6 mt -60.97 -44.66 98.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.108 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 83.1 p -69.64 -32.5 71.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.99 -42.55 63.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.121 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 11' ' ' ILE . 83.8 t -61.92 -62.2 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.767 ' HA ' HD12 ' A' ' 19' ' ' LEU . 62.4 t -47.26 -46.57 9.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.11 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -49.97 -58.09 9.05 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.502 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.728 ' O ' HG23 ' A' ' 22' ' ' VAL . 41.3 mt -62.01 -34.88 65.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.819 0.342 . . . . 0.0 111.123 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.767 HD12 ' HA ' ' A' ' 16' ' ' VAL . 63.5 mt -59.63 -54.39 46.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.925 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.515 HD12 HG12 ' A' ' 16' ' ' VAL . 1.0 OUTLIER -53.99 -38.57 65.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.955 179.855 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 64.7 t -68.93 -39.24 79.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.096 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 18' ' ' ILE . 92.4 t -68.08 -55.03 18.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.064 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.843 ' O ' HG23 ' A' ' 27' ' ' VAL . 19.1 m -47.36 -44.28 8.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.153 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.464 HD23 ' HA ' ' A' ' 24' ' ' LEU . 12.5 mt -58.61 -58.93 6.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -44.0 -36.48 3.86 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.476 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 86.3 t -74.56 -42.27 48.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.836 0.35 . . . . 0.0 111.126 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.843 HG23 ' O ' ' A' ' 23' ' ' VAL . 16.3 t -62.77 -38.64 82.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.179 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -67.66 -55.43 13.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.413 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.509 -179.992 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.977 0.418 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 98.0 m -87.18 -60.99 1.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.086 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.434 ' O ' HD23 ' A' ' 48' ' ' LEU . 8.1 mtt -59.35 -31.83 69.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.95 -39.48 59.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.941 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.33 -29.52 34.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.88 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -69.76 -41.45 75.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.946 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.434 HD23 ' O ' ' A' ' 44' ' ' MET . 4.1 mm? -60.02 -22.75 63.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.962 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -82.62 -15.91 50.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -73.47 -24.3 60.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 24.1 p -51.09 -30.37 15.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.093 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.509 ' CG ' HD22 ' A' ' 53' ' ' LEU . 13.4 pt-20 -53.57 -33.69 55.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.509 HD22 ' CG ' ' A' ' 52' ' ' GLU . 4.3 mm? -65.12 -29.92 70.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.931 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.2 m -113.83 20.51 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.097 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.419 ' HB2' ' HD2' ' A' ' 56' ' ' PRO . 4.0 pt-20 -56.38 160.45 5.14 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.714 0.768 . . . . 0.0 110.793 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.419 ' HD2' ' HB2' ' A' ' 55' ' ' GLU . 53.6 Cg_endo . . . . . 0 C--N 1.342 0.206 0 C-N-CA 122.664 2.243 . . . . 0.0 112.29 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 116' ' ' VAL . . . . . 0.765 ' HA ' HD12 ' B' ' 119' ' ' LEU . 63.2 t . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.907 0.384 . . . . 0.0 111.173 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -49.94 -58.12 8.99 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.45 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 118' ' ' ILE . . . . . 0.715 ' O ' HG23 ' B' ' 122' ' ' VAL . 41.5 mt -61.8 -34.55 63.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.935 0.397 . . . . 0.0 111.081 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 119' ' ' LEU . . . . . 0.765 HD12 ' HA ' ' B' ' 116' ' ' VAL . 64.4 mt -60.07 -55.09 38.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.926 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 120' ' ' LEU . . . . . 0.526 HD12 HG12 ' B' ' 116' ' ' VAL . 1.0 OUTLIER -53.26 -38.38 62.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.88 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 65.8 t -68.53 -39.23 80.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 122' ' ' VAL . . . . . 0.715 HG23 ' O ' ' B' ' 118' ' ' ILE . 91.8 t -67.83 -55.48 16.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.175 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 123' ' ' VAL . . . . . 0.475 HG21 HD23 ' A' ' 20' ' ' LEU . 16.6 m -46.8 -44.78 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.152 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . 0.461 HD23 ' HA ' ' B' ' 124' ' ' LEU . 12.5 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 141' ' ' LYS . . . . . . . . . . . . . 54.9 tttt . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.776 0.322 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 142' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -109.54 8.95 25.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 143' ' ' THR . . . . . . . . . . . . . 85.0 m -81.36 -59.57 2.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.133 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 144' ' ' MET . . . . . 0.445 ' O ' HD23 ' B' ' 148' ' ' LEU . 6.3 mtt -57.11 -32.5 66.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.884 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.6 -38.94 61.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 146' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.17 -30.01 31.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 147' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -68.59 -41.39 79.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 148' ' ' LEU . . . . . 0.445 HD23 ' O ' ' B' ' 144' ' ' MET . 4.1 mm? -60.51 -22.81 63.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.826 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -82.39 -15.81 51.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.877 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -73.19 -24.52 60.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.808 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 25.4 p -51.6 -29.48 17.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.139 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 152' ' ' GLU . . . . . 0.505 ' HG3' HD22 ' B' ' 153' ' ' LEU . 13.5 pt-20 -53.15 -33.75 53.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 153' ' ' LEU . . . . . 0.505 HD22 ' HG3' ' B' ' 152' ' ' GLU . 4.3 mm? -65.12 -31.01 71.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.913 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 3.5 m -113.7 22.21 5.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.163 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 155' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 . . . . . 0 C--N 1.329 -0.294 0 CA-C-O 121.592 0.711 . . . . 0.0 110.931 -179.958 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.769 0.318 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -149.94 164.46 35.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -87.03 -172.66 4.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? 52.64 52.34 14.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -133.27 31.51 3.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.127 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.4 m -89.84 113.91 58.74 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.742 0.782 . . . . 0.0 110.899 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -44.8 1.87 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.669 2.246 . . . . 0.0 112.364 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -61.24 -54.99 37.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.668 ' HA ' HD12 ' A' ' 12' ' ' ILE . 34.6 p -52.71 -32.58 43.62 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.183 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 49.8 m -71.37 -33.66 69.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.813 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.688 ' O ' HG23 ' A' ' 15' ' ' VAL . 38.1 mm -75.59 -37.5 36.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.118 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.715 ' O ' HG23 ' A' ' 16' ' ' VAL . 31.0 mt -60.6 -57.98 9.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.07 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 17.2 t -57.95 -31.24 66.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.855 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.45 -42.46 61.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.149 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.688 HG23 ' O ' ' A' ' 11' ' ' ILE . 79.3 t -63.27 -57.62 11.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.095 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.906 HG13 HG13 ' B' ' 116' ' ' VAL . 3.5 t -49.49 -49.99 17.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.131 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -49.0 -56.79 9.56 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.536 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.578 ' O ' HG23 ' A' ' 22' ' ' VAL . 59.7 mt -60.4 -46.7 94.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.793 0.33 . . . . 0.0 111.08 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 80.1 mt -50.81 -51.6 49.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.758 HD12 ' O ' ' A' ' 16' ' ' VAL . 0.9 OUTLIER -54.96 -41.98 71.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 179.912 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 96.5 t -66.71 -26.08 36.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.125 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 18' ' ' ILE . 94.4 t -75.26 -56.51 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.174 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.761 ' O ' HG23 ' A' ' 27' ' ' VAL . 17.9 m -48.9 -43.57 14.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.16 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.445 HD23 ' HA ' ' A' ' 24' ' ' LEU . 13.3 mt -64.19 -51.79 62.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.849 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -45.76 -37.27 6.98 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.522 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 89.8 t -74.1 -39.74 50.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.917 0.389 . . . . 0.0 111.149 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.761 HG23 ' O ' ' A' ' 23' ' ' VAL . 11.9 t -68.4 -41.63 83.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.161 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -63.51 -47.18 82.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.857 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.466 -179.968 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.941 0.401 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 98.0 m -53.2 -53.17 54.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.1 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.666 ' HG3' HD13 ' B' ' 147' ' ' LEU . 0.0 OUTLIER -59.04 -46.59 87.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 179.891 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -51.94 -38.82 57.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 25.3 tpt180 -82.18 -23.32 35.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.643 HD13 ' HG3' ' B' ' 144' ' ' MET . 20.1 mt -69.35 -24.43 63.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.972 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.405 HD11 HG22 ' B' ' 151' ' ' THR . 4.3 mm? -58.15 -22.89 53.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -80.48 -17.69 50.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -65.74 -32.25 73.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.403 HG22 HD11 ' B' ' 148' ' ' LEU . 25.6 p -51.35 -30.03 17.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.181 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -54.57 -27.04 36.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -72.17 -30.46 65.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.5 m -113.77 21.48 6.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.197 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.422 ' HB2' ' HD2' ' A' ' 56' ' ' PRO . 3.2 pt-20 -56.45 160.3 5.44 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.659 0.742 . . . . 0.0 110.883 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.422 ' HD2' ' HB2' ' A' ' 55' ' ' GLU . 53.1 Cg_endo . . . . . 0 C--N 1.342 0.196 0 C-N-CA 122.671 2.247 . . . . 0.0 112.356 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 116' ' ' VAL . . . . . 0.906 HG13 HG13 ' A' ' 16' ' ' VAL . 4.7 t . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.856 0.36 . . . . 0.0 111.156 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -48.93 -56.56 9.83 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.487 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 118' ' ' ILE . . . . . 0.596 ' O ' HG23 ' B' ' 122' ' ' VAL . 56.9 mt -61.09 -46.27 96.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.872 0.367 . . . . 0.0 111.119 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 79.4 mt -51.02 -51.23 55.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.025 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 120' ' ' LEU . . . . . 0.767 HD12 ' O ' ' B' ' 116' ' ' VAL . 0.8 OUTLIER -54.47 -42.74 71.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.894 179.905 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 98.4 t -66.49 -26.21 37.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.106 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 122' ' ' VAL . . . . . 0.596 HG23 ' O ' ' B' ' 118' ' ' ILE . 87.4 t -76.07 -55.97 9.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.052 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 123' ' ' VAL . . . . . 0.607 HG21 HD23 ' A' ' 20' ' ' LEU . 17.4 m -48.6 -43.45 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.102 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . 0.427 ' N ' HG23 ' B' ' 123' ' ' VAL . 13.0 mt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 141' ' ' LYS . . . . . . . . . . . . . 19.1 mmtp . . . . . 0 N--CA 1.457 -0.11 0 CA-C-O 120.842 0.354 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 142' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -107.57 -29.07 9.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 143' ' ' THR . . . . . . . . . . . . . 95.0 m -52.55 -53.94 39.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.111 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 144' ' ' MET . . . . . 0.643 ' HG3' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -58.83 -47.15 85.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.84 179.917 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -52.23 -38.7 58.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 146' ' ' ARG . . . . . . . . . . . . . 25.4 tpt180 -82.03 -23.37 35.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 147' ' ' LEU . . . . . 0.666 HD13 ' HG3' ' A' ' 44' ' ' MET . 19.4 mt -69.35 -24.56 63.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 148' ' ' LEU . . . . . 0.403 HD11 HG22 ' A' ' 51' ' ' THR . 4.3 mm? -58.15 -22.98 53.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.967 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -80.42 -17.76 50.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.978 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -65.74 -32.24 73.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 151' ' ' THR . . . . . 0.405 HG22 HD11 ' A' ' 48' ' ' LEU . 26.3 p -51.46 -30.23 19.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.138 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -54.64 -27.28 38.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -72.32 -30.45 64.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 3.4 m -113.73 22.13 5.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.153 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 155' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 . . . . . 0 C--N 1.33 -0.269 0 CA-C-O 121.633 0.73 . . . . 0.0 110.898 -179.983 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.768 0.318 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -97.26 158.53 15.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -64.4 -69.46 0.28 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.513 ' O ' ' HB3' ' A' ' 5' ' ' ALA . 6.5 mmm180 -107.53 -72.96 0.7 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' A' ' 4' ' ' ARG . . . 72.22 30.93 1.99 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.121 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 m -89.51 112.48 51.89 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.624 0.726 . . . . 0.0 110.862 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.81 -46.65 1.13 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.67 2.246 . . . . 0.0 112.321 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.1 mt -59.67 -54.68 43.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.924 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.717 ' HA ' HD12 ' A' ' 12' ' ' ILE . 31.1 p -53.18 -31.53 43.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 59.1 m -73.15 -34.19 65.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.851 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.679 ' O ' HG23 ' A' ' 15' ' ' VAL . 41.4 mm -76.79 -40.09 31.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.098 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.717 HD12 ' HA ' ' A' ' 9' ' ' THR . 14.6 mt -59.74 -41.72 86.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.5 p -69.35 -36.3 76.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.821 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.49 -43.25 66.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.103 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 11' ' ' ILE . 97.0 t -60.07 -54.25 37.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.054 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.699 HG13 HG13 ' B' ' 116' ' ' VAL . 57.6 t -51.46 -54.94 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.085 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.587 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -44.6 -53.9 6.84 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.488 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.676 ' O ' HG23 ' A' ' 22' ' ' VAL . 36.1 mt -68.05 -33.43 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.866 0.365 . . . . 0.0 111.066 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.669 ' CD1' HG12 ' A' ' 15' ' ' VAL . 31.0 mt -59.52 -51.04 71.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.987 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.432 HD12 HG12 ' A' ' 16' ' ' VAL . 1.4 mt -60.2 -41.78 93.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 17' ' ' GLY . 44.3 t -67.66 -27.46 38.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.086 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 18' ' ' ILE . 40.0 t -74.96 -54.9 13.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.188 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.585 ' O ' HG23 ' A' ' 27' ' ' VAL . 4.4 m -49.15 -48.46 17.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.097 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.497 HD23 HD21 ' B' ' 124' ' ' LEU . 13.1 mt -58.64 -51.66 68.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.94 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -46.43 -39.06 9.71 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.472 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 94.4 t -70.17 -39.17 76.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.833 0.349 . . . . 0.0 111.08 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 23' ' ' VAL . 12.5 t -68.71 -42.6 83.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.088 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -63.72 -48.07 78.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.451 ' HA2' HD12 ' A' ' 32' ' ' ILE . . . -59.03 -40.98 96.2 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.503 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 43.0 mt -59.72 -54.48 34.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.86 0.362 . . . . 0.0 111.109 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.43 ' HA ' HD23 ' A' ' 31' ' ' LEU . 10.2 mt -49.79 -53.93 22.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.92 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.451 HD12 ' HA2' ' A' ' 29' ' ' GLY . 31.9 mt -48.88 -56.93 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.73 -23.59 65.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.855 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -81.62 -18.0 46.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.795 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.12 -38.91 10.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.956 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -58.5 -23.45 57.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.932 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -97.33 28.4 3.7 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.0 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 32.1 mmtm -80.88 151.53 28.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.401 ' O ' HG22 ' A' ' 39' ' ' ILE . 78.2 mt -63.31 -16.51 18.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.123 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -90.3 24.43 2.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.928 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -51.35 -33.33 29.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 -50.84 -38.76 50.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.026 0.441 . . . . 0.0 110.965 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 53.3 m -51.58 -52.36 47.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.14 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.571 ' HG2' HD11 ' B' ' 147' ' ' LEU . 22.2 mtt -59.44 -46.96 87.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.05 -40.79 61.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.938 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.5 tpp180 -81.26 -23.35 38.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.787 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.552 HD11 ' HG2' ' B' ' 144' ' ' MET . 17.0 mt -68.62 -26.58 65.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.427 HD23 ' O ' ' A' ' 44' ' ' MET . 4.3 mm? -58.3 -22.93 54.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -80.36 -17.18 52.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -64.89 -32.02 73.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 36.2 p -51.35 -29.93 16.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.199 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -54.45 -27.42 37.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -72.49 -30.67 64.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.958 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.5 m -113.35 23.6 4.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.1 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -124.57 69.09 53.19 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.631 0.729 . . . . 0.0 110.911 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 170.38 16.74 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.706 2.271 . . . . 0.0 112.321 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 60.1 mt -99.13 150.76 21.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.957 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 CA-C-O 119.16 -0.8 . . . . 0.0 112.514 179.89 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.089 0 CA-C-O 120.719 0.295 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -70.71 -25.55 63.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.917 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -48.09 118.99 2.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.962 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 104' ' ' ARG . . . . . 0.567 ' O ' ' HB3' ' B' ' 105' ' ' ALA . 54.6 mtt180 -48.64 -78.02 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.81 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 105' ' ' ALA . . . . . 0.567 ' HB3' ' O ' ' B' ' 104' ' ' ARG . . . 75.21 38.02 0.44 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 1.7 m -84.55 112.38 41.7 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.682 0.753 . . . . 0.0 110.866 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.65 -47.28 1.0 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.685 2.257 . . . . 0.0 112.363 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . 0.402 ' O ' HG13 ' B' ' 112' ' ' ILE . 6.0 mt -59.14 -54.26 48.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.969 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 109' ' ' THR . . . . . 0.753 ' HA ' HD12 ' B' ' 112' ' ' ILE . 32.0 p -53.23 -32.44 48.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.136 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 60.9 m -72.45 -34.4 67.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.809 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 111' ' ' ILE . . . . . 0.687 ' O ' HG23 ' B' ' 115' ' ' VAL . 40.9 mm -76.38 -40.1 34.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.14 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 112' ' ' ILE . . . . . 0.753 HD12 ' HA ' ' B' ' 109' ' ' THR . 12.8 mt -59.6 -40.53 82.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 6.3 p -69.88 -37.27 76.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.793 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -71.05 -43.67 67.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.128 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 115' ' ' VAL . . . . . 0.687 HG23 ' O ' ' B' ' 111' ' ' ILE . 95.5 t -59.02 -54.63 31.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.089 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 116' ' ' VAL . . . . . 0.699 HG13 HG13 ' A' ' 16' ' ' VAL . 57.5 t -51.44 -55.01 9.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.107 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 117' ' ' GLY . . . . . 0.554 ' O ' HG23 ' B' ' 121' ' ' VAL . . . -43.75 -54.34 5.87 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.437 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 118' ' ' ILE . . . . . 0.66 ' O ' HG23 ' B' ' 122' ' ' VAL . 31.7 mt -67.66 -33.62 63.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.915 0.388 . . . . 0.0 111.165 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 119' ' ' LEU . . . . . 0.667 ' CD1' HG12 ' B' ' 115' ' ' VAL . 33.4 mt -59.24 -50.72 72.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.95 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . 0.454 HD12 HG12 ' B' ' 116' ' ' VAL . 1.4 mt -60.25 -42.16 94.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.952 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 121' ' ' VAL . . . . . 0.554 HG23 ' O ' ' B' ' 117' ' ' GLY . 42.4 t -68.22 -27.16 36.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.18 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 122' ' ' VAL . . . . . 0.66 HG23 ' O ' ' B' ' 118' ' ' ILE . 39.8 t -76.76 -53.82 14.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.195 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 123' ' ' VAL . . . . . 0.738 ' O ' HG23 ' B' ' 127' ' ' VAL . 6.3 m -49.48 -48.45 19.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.111 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . 0.497 HD21 HD23 ' A' ' 24' ' ' LEU . 13.3 mt -63.51 -52.48 61.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 125' ' ' GLY . . . . . . . . . . . . . . . -45.38 -37.9 6.54 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.501 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 126' ' ' VAL . . . . . 0.434 HG12 ' CD1' ' B' ' 130' ' ' ILE . 94.1 t -72.86 -40.96 60.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.833 0.349 . . . . 0.0 111.109 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 127' ' ' VAL . . . . . 0.738 HG23 ' O ' ' B' ' 123' ' ' VAL . 12.2 t -66.7 -42.29 89.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.163 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 128' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -61.75 -51.95 66.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.846 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 129' ' ' GLY . . . . . 0.553 ' HA2' HD12 ' B' ' 132' ' ' ILE . . . -60.5 -38.21 94.51 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.446 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 130' ' ' ILE . . . . . 0.434 ' CD1' HG12 ' B' ' 126' ' ' VAL . 31.0 mt -57.99 -49.15 82.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.92 0.39 . . . . 0.0 111.133 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 131' ' ' LEU . . . . . 0.481 ' O ' ' HG2' ' B' ' 134' ' ' ARG . 11.6 mt -59.25 -46.48 88.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.928 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 132' ' ' ILE . . . . . 0.553 HD12 ' HA2' ' B' ' 129' ' ' GLY . 27.8 mt -57.36 -48.45 82.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.15 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -58.06 -45.76 86.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 134' ' ' ARG . . . . . 0.481 ' HG2' ' O ' ' B' ' 131' ' ' LEU . 3.8 ptm180 -73.5 -5.91 43.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.06 -39.58 8.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -58.49 98.22 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 52.54 51.24 16.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -152.99 89.87 1.41 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 56.9 mt -84.01 100.38 7.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.176 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 140' ' ' ARG . . . . . . . . . . . . . 48.6 mmm-85 -93.12 -11.5 32.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.828 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 141' ' ' LYS . . . . . . . . . . . . . 32.0 mmtm 56.32 32.12 19.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 142' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -51.26 -31.42 20.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 143' ' ' THR . . . . . . . . . . . . . 57.7 m -52.07 -54.57 28.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.152 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 144' ' ' MET . . . . . 0.552 ' HG2' HD11 ' A' ' 47' ' ' LEU . 23.1 mtt -58.17 -47.67 82.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.2 -40.81 62.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.93 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 146' ' ' ARG . . . . . . . . . . . . . 15.5 tpp180 -81.14 -23.25 38.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 147' ' ' LEU . . . . . 0.571 HD11 ' HG2' ' A' ' 44' ' ' MET . 17.2 mt -68.55 -26.87 65.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 148' ' ' LEU . . . . . 0.422 HD23 ' O ' ' B' ' 144' ' ' MET . 4.3 mm? -58.2 -22.92 53.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.943 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -80.66 -16.79 53.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -65.05 -31.78 73.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 36.8 p -51.19 -30.0 15.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.114 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -54.35 -27.45 36.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.945 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -72.69 -30.87 64.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.915 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 3.5 m -113.2 24.0 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.146 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 155' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -130.57 68.18 81.18 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 121.629 0.728 . . . . 0.0 110.906 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 156' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.66 170.54 16.22 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.672 2.248 . . . . 0.0 112.309 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 157' ' ' LEU . . . . . . . . . . . . . 92.1 mt -97.16 -39.29 9.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 158' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.481 179.918 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.809 0.338 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -146.87 -179.43 6.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.839 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -117.32 8.36 13.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.931 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 72.9 mtt-85 -95.0 46.09 1.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.6 37.31 1.48 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.103 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 m -76.77 114.64 40.95 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.667 0.746 . . . . 0.0 110.861 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -44.69 1.9 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.634 2.223 . . . . 0.0 112.348 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 mt -61.57 -54.61 40.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.748 ' HA ' HD12 ' A' ' 12' ' ' ILE . 34.6 p -52.69 -33.04 45.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.118 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.3 m -70.94 -34.23 71.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.871 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.693 ' O ' HG23 ' A' ' 15' ' ' VAL . 37.9 mm -74.95 -38.03 42.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.139 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.748 HD12 ' HA ' ' A' ' 9' ' ' THR . 25.8 mt -59.89 -57.9 9.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.085 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 55.8 p -57.49 -32.84 67.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.833 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.17 -41.76 66.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.083 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 11' ' ' ILE . 77.9 t -64.14 -55.7 20.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.156 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.887 HG13 ' CG1' ' B' ' 116' ' ' VAL . 4.7 t -49.65 -50.67 17.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.099 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -50.18 -56.61 12.01 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.494 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.539 ' O ' HG23 ' A' ' 22' ' ' VAL . 60.5 mt -60.81 -44.96 98.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.843 0.354 . . . . 0.0 111.102 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.3 mt -52.55 -52.07 56.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.74 HD12 ' O ' ' A' ' 16' ' ' VAL . 0.9 OUTLIER -54.0 -41.55 68.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 179.875 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 99.8 t -66.11 -27.3 40.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 18' ' ' ILE . 99.9 t -75.71 -55.42 11.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.175 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.768 ' O ' HG23 ' A' ' 27' ' ' VAL . 16.8 m -48.29 -41.92 11.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.121 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.464 HD23 ' HA ' ' A' ' 24' ' ' LEU . 12.6 mt -64.77 -52.17 58.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.937 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -46.3 -37.3 8.07 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.464 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 84.9 t -73.7 -38.56 51.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.851 0.358 . . . . 0.0 111.134 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.768 HG23 ' O ' ' A' ' 23' ' ' VAL . 15.9 t -69.2 -41.01 81.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.168 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -63.73 -49.2 73.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.839 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -61.71 -36.43 92.68 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.483 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 36.0 mt -61.27 -50.99 78.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.846 0.355 . . . . 0.0 111.122 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.452 ' HA ' ' HG2' ' A' ' 34' ' ' ARG . 10.7 mt -56.26 -51.34 68.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 30.7 mt -52.78 -41.08 37.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.139 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.78 -41.82 99.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.452 ' HG2' ' HA ' ' A' ' 31' ' ' LEU . 2.7 ptm180 -75.56 -13.01 60.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.832 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.34 -39.75 11.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -55.8 100.79 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -119.05 -40.59 2.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.9 mtmm -150.15 177.35 9.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.8 mp -50.52 103.23 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.094 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 13.2 mmt85 -121.68 18.13 11.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.847 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.62 -62.05 1.76 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.963 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -54.81 -26.58 35.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 98.9 m -51.75 -48.7 63.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.14 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.548 ' HG2' HD22 ' B' ' 147' ' ' LEU . 23.8 mtt -82.23 -43.86 17.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.23 -35.22 59.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 25.5 tpt180 -74.78 -23.64 58.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.496 HD22 ' HG2' ' B' ' 144' ' ' MET . 12.3 mt -80.43 -21.6 41.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.666 HD11 HG22 ' B' ' 151' ' ' THR . 4.2 mm? -58.54 -22.75 56.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -76.92 -8.58 57.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.905 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -81.71 -29.87 32.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.717 HG22 HD11 ' B' ' 148' ' ' LEU . 40.6 p -52.09 -28.76 18.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.127 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -56.34 -24.96 47.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.937 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -73.51 -22.74 60.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.937 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 1.6 m -115.7 13.2 7.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.55 161.75 22.07 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.64 0.733 . . . . 0.0 110.929 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 167.64 23.92 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.713 2.275 . . . . 0.0 112.298 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.3 mp -95.0 136.15 35.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.464 179.892 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.715 0.293 . . . . 0.0 111.098 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -160.59 169.95 21.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.941 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -101.45 -176.58 3.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 2.5 mmm180 57.15 50.99 10.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.866 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -132.12 31.21 4.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.099 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 1.2 m -86.69 113.98 55.69 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.649 0.738 . . . . 0.0 110.85 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -45.56 1.51 Allowed 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.692 2.261 . . . . 0.0 112.307 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 1.9 mt -60.74 -55.02 38.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.891 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 109' ' ' THR . . . . . 0.673 ' HA ' HD12 ' B' ' 112' ' ' ILE . 32.7 p -52.79 -31.96 41.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 52.5 m -71.94 -33.85 68.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.822 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 111' ' ' ILE . . . . . 0.689 ' O ' HG23 ' B' ' 115' ' ' VAL . 37.9 mm -75.36 -37.72 38.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.106 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 112' ' ' ILE . . . . . 0.673 HD12 ' HA ' ' B' ' 109' ' ' THR . 27.2 mt -60.85 -58.89 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 56.8 p -57.37 -29.64 64.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -74.54 -42.07 59.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.053 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 115' ' ' VAL . . . . . 0.689 HG23 ' O ' ' B' ' 111' ' ' ILE . 70.0 t -64.37 -57.2 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.166 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 116' ' ' VAL . . . . . 0.887 ' CG1' HG13 ' A' ' 16' ' ' VAL . 3.8 t -50.45 -49.18 24.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.147 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -49.87 -57.43 9.8 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.488 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 118' ' ' ILE . . . . . 0.558 ' O ' HG23 ' B' ' 122' ' ' VAL . 62.1 mt -60.18 -45.95 95.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.856 0.36 . . . . 0.0 111.131 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 18.2 mt -51.58 -51.45 55.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . 0.735 HD12 ' O ' ' B' ' 116' ' ' VAL . 0.8 OUTLIER -54.97 -41.76 71.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.936 179.877 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 96.5 t -66.58 -26.91 38.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 122' ' ' VAL . . . . . 0.558 HG23 ' O ' ' B' ' 118' ' ' ILE . 97.6 t -76.75 -54.8 12.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.12 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 123' ' ' VAL . . . . . 0.793 ' O ' HG23 ' B' ' 127' ' ' VAL . 19.0 m -48.73 -41.85 12.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.098 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' B' ' 124' ' ' LEU . 13.1 mt -65.64 -52.3 52.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 125' ' ' GLY . . . . . . . . . . . . . . . -45.64 -36.85 6.5 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.515 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 88.4 t -74.79 -39.36 45.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.916 0.388 . . . . 0.0 111.179 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 127' ' ' VAL . . . . . 0.793 HG23 ' O ' ' B' ' 123' ' ' VAL . 15.8 t -68.22 -41.51 84.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.097 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 128' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -64.29 -47.81 78.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 129' ' ' GLY . . . . . . . . . . . . . . . -63.62 -35.02 91.49 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.516 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 39.3 mt -62.39 -52.11 64.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.875 0.369 . . . . 0.0 111.175 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 131' ' ' LEU . . . . . 0.455 ' HA ' ' HG2' ' B' ' 134' ' ' ARG . 11.0 mt -56.33 -54.38 46.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.882 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 36.2 mt -50.25 -42.5 20.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.115 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -61.29 -41.82 97.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 134' ' ' ARG . . . . . 0.455 ' HG2' ' HA ' ' B' ' 131' ' ' LEU . 0.2 OUTLIER -76.46 -12.82 60.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.31 -39.34 11.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.827 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -51.58 168.65 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.929 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -61.41 -19.13 61.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 22.3 mmtp -51.5 -77.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 59.5 mt -82.66 112.09 19.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.135 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 140' ' ' ARG . . . . . . . . . . . . . 33.7 mtp180 -119.72 19.54 12.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 141' ' ' LYS . . . . . . . . . . . . . 16.8 ttmt -123.91 14.61 9.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 142' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -107.81 1.03 22.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 143' ' ' THR . . . . . . . . . . . . . 99.0 m -51.94 -56.08 16.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.153 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 144' ' ' MET . . . . . 0.496 ' HG2' HD22 ' A' ' 47' ' ' LEU . 23.5 mtt -85.53 -40.22 16.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.53 -35.74 61.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 146' ' ' ARG . . . . . . . . . . . . . 25.3 tpt180 -74.52 -23.52 58.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 147' ' ' LEU . . . . . 0.548 HD22 ' HG2' ' A' ' 44' ' ' MET . 12.3 mt -79.71 -21.73 44.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 148' ' ' LEU . . . . . 0.717 HD11 HG22 ' A' ' 51' ' ' THR . 4.3 mm? -58.86 -22.85 59.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.945 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -76.89 -8.88 58.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.938 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -80.62 -30.5 36.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 151' ' ' THR . . . . . 0.666 HG22 HD11 ' A' ' 48' ' ' LEU . 40.4 p -51.8 -29.13 17.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.131 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -55.95 -26.61 48.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -73.73 -25.41 60.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.918 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 2.7 m -116.7 21.41 6.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.102 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 155' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -133.42 68.25 76.72 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.599 0.714 . . . . 0.0 110.877 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 156' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 170.51 16.47 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.687 2.258 . . . . 0.0 112.285 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 157' ' ' LEU . . . . . . . . . . . . . 6.4 mp -88.48 -40.88 13.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 158' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.492 179.865 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.734 0.302 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -160.14 163.91 33.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.913 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -94.81 -178.14 4.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.97 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 13.6 mtp180 56.04 58.47 4.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.82 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -134.01 32.21 3.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.17 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -90.43 114.22 60.34 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-O 121.673 0.749 . . . . 0.0 110.85 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -44.44 2.07 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.701 2.267 . . . . 0.0 112.281 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.8 mt -59.42 -55.06 39.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.666 ' HA ' HD12 ' A' ' 12' ' ' ILE . 65.3 p -55.11 -29.15 57.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.182 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 56.5 m -73.95 -32.52 63.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.844 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.671 ' O ' HG23 ' A' ' 15' ' ' VAL . 41.7 mm -79.13 -38.42 20.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.083 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.74 HG21 HG21 ' B' ' 112' ' ' ILE . 19.5 mt -61.21 -44.76 98.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.156 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 88.4 p -69.26 -32.47 71.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.18 -42.56 62.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.085 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.671 HG23 ' O ' ' A' ' 11' ' ' ILE . 82.8 t -61.82 -61.68 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.127 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.767 ' HA ' HD12 ' A' ' 19' ' ' LEU . 61.6 t -47.76 -46.77 11.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.149 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -49.56 -57.92 8.86 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.504 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.735 ' O ' HG23 ' A' ' 22' ' ' VAL . 42.8 mt -61.99 -35.24 67.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.902 0.382 . . . . 0.0 111.156 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.767 HD12 ' HA ' ' A' ' 16' ' ' VAL . 62.0 mt -59.46 -54.28 48.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.967 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.534 HD12 HG12 ' A' ' 16' ' ' VAL . 1.0 OUTLIER -53.99 -38.6 65.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.963 179.823 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 67.7 t -69.05 -38.93 78.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.07 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.735 HG23 ' O ' ' A' ' 18' ' ' ILE . 96.0 t -68.15 -54.67 20.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.152 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.839 ' O ' HG23 ' A' ' 27' ' ' VAL . 18.0 m -47.77 -44.51 10.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.058 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.464 HD23 ' HA ' ' A' ' 24' ' ' LEU . 12.5 mt -58.36 -59.23 5.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.883 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -43.86 -36.63 3.75 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.432 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.402 HG12 HG13 ' A' ' 30' ' ' ILE . 93.1 t -74.41 -42.37 49.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.829 0.347 . . . . 0.0 111.122 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.839 HG23 ' O ' ' A' ' 23' ' ' VAL . 16.4 t -62.45 -39.11 83.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.161 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -67.24 -55.26 14.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.898 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -63.39 -50.94 58.48 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.448 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.402 HG13 HG12 ' A' ' 26' ' ' VAL . 8.3 mm -48.81 -63.89 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.877 0.37 . . . . 0.0 111.107 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.639 HD22 ' NH1' ' A' ' 35' ' ' ARG . 9.7 mt -47.79 -63.03 1.17 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.963 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 50.3 mt -47.02 -36.0 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.177 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.66 -37.89 85.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.422 ' HG2' ' HA ' ' A' ' 31' ' ' LEU . 2.5 ptm180 -80.44 -12.38 59.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.862 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.639 ' NH1' HD22 ' A' ' 31' ' ' LEU . 1.0 OUTLIER -100.24 -11.81 20.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.834 -179.85 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -83.17 103.57 12.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -110.77 -43.91 3.73 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.951 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.1 pttp -63.7 148.02 50.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 48.7 mt -57.74 103.7 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.105 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.6 mmt85 -103.83 19.35 20.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.904 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.7 tttp -79.93 -65.77 0.96 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -64.0 -23.59 67.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 78.7 m -54.55 -68.13 0.21 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.179 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 19.9 mmt -52.0 -52.33 51.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.864 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.36 -36.5 53.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.934 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.6 tpt85 -81.21 -23.58 38.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 35.9 mt -71.82 -16.72 62.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -57.64 -22.85 47.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.933 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -83.3 -19.12 36.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.944 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -73.54 -30.49 63.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 43.8 p -53.83 -27.12 27.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.183 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.526 ' CG ' HD22 ' A' ' 53' ' ' LEU . 18.3 pt-20 -54.98 -26.33 35.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.526 HD22 ' CG ' ' A' ' 52' ' ' GLU . 4.3 mm? -73.7 -28.88 61.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.0 m -114.74 21.37 6.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.159 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -113.71 74.06 2.32 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.607 0.718 . . . . 0.0 110.85 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.85 164.02 36.19 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.674 2.249 . . . . 0.0 112.328 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.9 mp -132.18 122.35 25.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.896 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 CA-C-O 119.13 -0.817 . . . . 0.0 112.517 179.92 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.778 0.323 . . . . 0.0 111.073 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -149.46 164.99 33.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -101.57 5.34 41.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 26.3 mmm-85 -91.86 54.36 2.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -149.03 40.83 0.89 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.102 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . 0.462 ' CB ' ' HG1' ' B' ' 109' ' ' THR . 10.0 t -83.01 114.43 52.61 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.675 0.75 . . . . 0.0 110.87 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -41.77 3.98 Favored 'Trans proline' 0 C--O 1.233 0.246 0 C-N-CA 122.636 2.224 . . . . 0.0 112.33 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 1.3 mt -61.23 -54.73 40.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 109' ' ' THR . . . . . 0.802 ' HA ' HD12 ' B' ' 112' ' ' ILE . 80.5 p -55.45 -29.82 59.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.149 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 49.6 m -73.33 -33.46 65.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 111' ' ' ILE . . . . . 0.668 ' O ' HG23 ' B' ' 115' ' ' VAL . 40.1 mm -79.01 -38.29 20.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.173 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 112' ' ' ILE . . . . . 0.802 HD12 ' HA ' ' B' ' 109' ' ' THR . 14.3 mt -60.42 -43.57 94.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.146 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 93.0 p -70.29 -34.48 72.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.826 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -72.06 -41.6 67.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.055 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 115' ' ' VAL . . . . . 0.668 HG23 ' O ' ' B' ' 111' ' ' ILE . 71.0 t -61.7 -61.97 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.183 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 116' ' ' VAL . . . . . 0.741 ' HA ' HD12 ' B' ' 119' ' ' LEU . 67.0 t -47.28 -46.92 9.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.149 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -49.62 -58.03 8.79 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.453 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 118' ' ' ILE . . . . . 0.723 ' O ' HG23 ' B' ' 122' ' ' VAL . 44.2 mt -61.69 -35.29 66.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.915 0.388 . . . . 0.0 111.18 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 119' ' ' LEU . . . . . 0.741 HD12 ' HA ' ' B' ' 116' ' ' VAL . 66.0 mt -59.37 -54.83 42.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.882 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . 0.507 HD12 HG12 ' B' ' 116' ' ' VAL . 1.0 OUTLIER -53.3 -39.0 63.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.946 179.876 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 70.9 t -68.39 -38.22 79.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.063 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 122' ' ' VAL . . . . . 0.723 HG23 ' O ' ' B' ' 118' ' ' ILE . 99.7 t -68.28 -55.68 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.133 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 123' ' ' VAL . . . . . 0.834 ' O ' HG23 ' B' ' 127' ' ' VAL . 16.2 m -46.89 -44.5 7.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.156 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . 0.458 HD23 ' HA ' ' B' ' 124' ' ' LEU . 12.5 mt -58.46 -58.73 7.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.939 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 125' ' ' GLY . . . . . . . . . . . . . . . -44.01 -37.06 4.11 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.503 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 87.2 t -73.7 -42.24 54.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.91 0.386 . . . . 0.0 111.166 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 127' ' ' VAL . . . . . 0.834 HG23 ' O ' ' B' ' 123' ' ' VAL . 15.5 t -62.87 -39.59 85.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.171 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 128' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -66.2 -52.2 50.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.934 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 129' ' ' GLY . . . . . . . . . . . . . . . -65.75 -47.79 72.91 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.413 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 7.2 mm -50.31 -63.82 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.82 0.343 . . . . 0.0 111.152 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 131' ' ' LEU . . . . . 0.628 HD22 ' NH1' ' B' ' 135' ' ' ARG . 9.4 mt -49.08 -62.14 1.69 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.912 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 57.1 mt -48.67 -33.27 4.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.13 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp -69.72 -32.34 70.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.858 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 134' ' ' ARG . . . . . 0.432 ' HG2' ' HA ' ' B' ' 131' ' ' LEU . 0.9 OUTLIER -87.05 -8.75 56.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.886 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 135' ' ' ARG . . . . . 0.628 ' NH1' HD22 ' B' ' 131' ' ' LEU . 0.5 OUTLIER -104.51 -19.53 13.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.913 -179.942 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -71.03 -27.8 63.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.966 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -78.37 -69.61 0.55 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -150.1 143.99 25.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.962 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 139' ' ' ILE . . . . . 0.458 HG22 ' H ' ' B' ' 141' ' ' LYS . 53.2 mt -62.17 108.07 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.15 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 140' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? -64.46 -15.72 61.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.837 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 141' ' ' LYS . . . . . 0.458 ' H ' HG22 ' B' ' 139' ' ' ILE . 19.4 mtpt 63.83 36.75 10.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.854 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 142' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -76.92 -5.23 47.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.002 0.43 . . . . 0.0 110.962 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 143' ' ' THR . . . . . . . . . . . . . 88.2 m -54.9 -68.56 0.18 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.155 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 20.1 mmt -52.5 -51.98 56.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.51 -36.44 55.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.821 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 146' ' ' ARG . . . . . . . . . . . . . 13.9 tpt85 -81.24 -23.62 37.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 147' ' ' LEU . . . . . . . . . . . . . 37.4 mt -71.7 -16.68 62.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 148' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -57.68 -22.85 48.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.947 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -83.13 -18.75 38.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -73.23 -30.48 63.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 44.7 p -53.42 -27.55 25.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.131 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 152' ' ' GLU . . . . . 0.529 ' CG ' HD22 ' B' ' 153' ' ' LEU . 18.3 pt-20 -55.0 -26.6 37.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.895 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 153' ' ' LEU . . . . . 0.529 HD22 ' CG ' ' B' ' 152' ' ' GLU . 4.3 mm? -73.89 -28.96 61.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.928 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 3.1 m -114.66 22.3 5.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.079 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 155' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -123.44 68.22 39.19 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.586 0.708 . . . . 0.0 110.888 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 156' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 154.64 67.56 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.728 2.286 . . . . 0.0 112.311 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 157' ' ' LEU . . . . . . . . . . . . . 66.9 tp -67.92 114.52 6.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 158' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.48 179.899 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.099 0 CA-C-O 120.781 0.324 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -158.27 167.05 30.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 8.3 tp60 -99.05 171.92 7.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 16.4 mmt180 63.66 61.16 1.02 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.946 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -135.91 33.26 2.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.125 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.1 m -90.72 114.4 61.17 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.611 0.72 . . . . 0.0 110.941 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 -45.66 1.53 Allowed 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.715 2.277 . . . . 0.0 112.361 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.7 mp -59.56 -55.17 37.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.898 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.613 ' HA ' HD12 ' A' ' 12' ' ' ILE . 43.4 p -53.94 -30.44 46.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.178 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 57.2 m -73.68 -31.85 63.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.857 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.652 ' O ' HG23 ' A' ' 15' ' ' VAL . 39.6 mm -79.96 -38.86 19.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.138 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.755 HG21 HG21 ' B' ' 112' ' ' ILE . 21.9 mt -60.62 -44.59 97.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.184 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.7 m -70.14 -32.59 70.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.835 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.98 -42.41 63.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.075 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 11' ' ' ILE . 75.5 t -62.17 -61.75 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.772 ' HA ' HD12 ' A' ' 19' ' ' LEU . 64.3 t -47.67 -46.3 11.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.16 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -50.13 -57.96 9.39 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.451 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.724 ' O ' HG23 ' A' ' 22' ' ' VAL . 43.8 mt -62.16 -35.25 67.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.862 0.363 . . . . 0.0 111.108 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.772 HD12 ' HA ' ' A' ' 16' ' ' VAL . 63.1 mt -59.08 -54.47 46.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.506 HD12 HG12 ' A' ' 16' ' ' VAL . 1.0 OUTLIER -54.16 -39.03 66.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 179.915 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 63.9 t -68.97 -38.09 78.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.077 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 18' ' ' ILE . 93.1 t -68.6 -55.12 17.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.836 ' O ' HG23 ' A' ' 27' ' ' VAL . 18.0 m -47.56 -44.23 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.181 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.456 HD23 ' HA ' ' A' ' 24' ' ' LEU . 12.7 mt -58.67 -58.54 8.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -44.42 -36.2 4.25 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.449 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 84.4 t -74.96 -40.78 45.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.829 0.347 . . . . 0.0 111.139 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.836 HG23 ' O ' ' A' ' 23' ' ' VAL . 17.6 t -64.31 -38.64 83.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -67.99 -52.28 37.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.23 -50.44 56.56 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.478 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 8.1 mm -50.34 -63.69 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.819 0.342 . . . . 0.0 111.15 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.637 HD22 ' NH1' ' A' ' 35' ' ' ARG . 9.3 mt -48.32 -64.22 0.86 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.938 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 60.9 mt -47.6 -34.9 3.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.9 mmtp -68.73 -35.53 77.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.43 ' HG2' ' HA ' ' A' ' 31' ' ' LEU . 0.9 OUTLIER -83.49 -8.98 59.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.637 ' NH1' HD22 ' A' ' 31' ' ' LEU . 0.7 OUTLIER -103.17 -18.54 14.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 -179.922 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.5 mm-40 -74.09 100.5 3.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.916 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -56.54 -179.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.857 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -57.27 97.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.6 mp -62.19 111.43 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.067 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.4 mtt85 -89.85 -13.41 36.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? 63.38 30.17 15.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -107.12 -37.35 6.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.957 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 96.2 m -52.3 -47.98 65.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.128 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.409 ' HG2' HD13 ' B' ' 147' ' ' LEU . 11.9 mtt -62.81 -43.28 99.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.825 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.49 -39.27 57.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.85 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 20.0 tpt180 -81.73 -23.64 36.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.835 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 19.1 mt -69.28 -24.11 63.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.404 HD23 ' O ' ' A' ' 44' ' ' MET . 4.3 mm? -58.48 -22.89 56.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.007 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -80.6 -16.28 54.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.959 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -67.79 -30.34 69.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 24.0 p -51.21 -30.43 17.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.148 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.53 ' CG ' HD22 ' A' ' 53' ' ' LEU . 14.0 pt-20 -54.18 -31.44 52.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.53 HD22 ' CG ' ' A' ' 52' ' ' GLU . 4.3 mm? -67.52 -30.21 69.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.927 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.3 m -114.1 21.59 6.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.155 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -123.47 68.19 39.52 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.696 0.76 . . . . 0.0 110.89 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 170.52 16.38 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.644 2.229 . . . . 0.0 112.391 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.0 mp -121.71 145.35 48.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.933 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 CA-C-O 119.155 -0.803 . . . . 0.0 112.439 179.906 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.669 0.271 . . . . 0.0 111.053 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -126.76 164.35 21.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.85 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 3.3 tm0? -80.49 -70.46 0.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.916 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -106.9 120.36 41.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -146.51 39.51 1.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.064 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 17.8 m -90.83 113.99 59.88 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.669 0.747 . . . . 0.0 110.865 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -46.09 1.36 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.66 2.24 . . . . 0.0 112.377 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 2.5 mp -59.36 -55.06 39.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 109' ' ' THR . . . . . 0.717 ' HA ' HD12 ' B' ' 112' ' ' ILE . 43.9 p -53.3 -32.1 47.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.105 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 49.2 m -72.9 -32.42 65.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.869 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 111' ' ' ILE . . . . . 0.66 ' O ' HG23 ' B' ' 115' ' ' VAL . 37.9 mm -79.56 -38.58 19.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.133 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 112' ' ' ILE . . . . . 0.755 HG21 HG21 ' A' ' 12' ' ' ILE . 19.1 mt -60.38 -43.47 93.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 14.6 m -70.63 -34.43 72.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -71.95 -41.48 67.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.074 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 115' ' ' VAL . . . . . 0.66 HG23 ' O ' ' B' ' 111' ' ' ILE . 73.5 t -62.19 -61.89 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.085 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 116' ' ' VAL . . . . . 0.732 ' HA ' HD12 ' B' ' 119' ' ' LEU . 66.3 t -47.22 -46.61 9.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.11 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -50.22 -58.08 9.31 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.487 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 118' ' ' ILE . . . . . 0.714 ' O ' HG23 ' B' ' 122' ' ' VAL . 43.7 mt -61.76 -35.44 67.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.894 0.378 . . . . 0.0 111.105 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 119' ' ' LEU . . . . . 0.732 HD12 ' HA ' ' B' ' 116' ' ' VAL . 64.6 mt -58.97 -54.77 43.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . 0.493 HD12 HG12 ' B' ' 116' ' ' VAL . 1.0 OUTLIER -53.64 -39.23 64.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 179.935 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 66.0 t -68.53 -38.32 78.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.108 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 122' ' ' VAL . . . . . 0.714 HG23 ' O ' ' B' ' 118' ' ' ILE . 86.5 t -68.34 -55.55 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.189 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 123' ' ' VAL . . . . . 0.834 ' O ' HG23 ' B' ' 127' ' ' VAL . 17.2 m -47.03 -44.42 7.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.122 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . 0.455 HD23 ' HA ' ' B' ' 124' ' ' LEU . 12.5 mt -58.55 -58.83 6.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.949 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 125' ' ' GLY . . . . . . . . . . . . . . . -43.92 -36.87 3.93 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.854 -0.688 . . . . 0.0 112.456 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 85.8 t -74.13 -41.89 51.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.837 0.351 . . . . 0.0 111.136 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 127' ' ' VAL . . . . . 0.834 HG23 ' O ' ' B' ' 123' ' ' VAL . 16.1 t -63.26 -39.02 83.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.155 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 128' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -67.06 -52.12 46.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 129' ' ' GLY . . . . . . . . . . . . . . . -65.48 -48.98 63.12 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.43 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 8.2 mm -50.23 -63.71 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.877 0.37 . . . . 0.0 111.074 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 131' ' ' LEU . . . . . 0.62 HD22 ' NH1' ' B' ' 135' ' ' ARG . 9.3 mt -48.7 -62.92 1.26 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 56.8 mt -48.54 -34.3 5.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.138 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 1.8 mmtt -68.78 -33.54 74.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 134' ' ' ARG . . . . . 0.417 ' HG2' ' HA ' ' B' ' 131' ' ' LEU . 4.2 ptm180 -85.72 -9.68 56.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 135' ' ' ARG . . . . . 0.62 ' NH1' HD22 ' B' ' 131' ' ' LEU . 0.7 OUTLIER -103.31 -18.61 14.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -72.9 -24.92 60.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.847 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -61.47 -68.65 0.3 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.867 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 20.8 pttm -165.7 152.82 10.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.946 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 77.1 mt -71.38 110.31 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.111 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 140' ' ' ARG . . . . . . . . . . . . . 26.5 mtp85 -73.49 -11.39 60.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 141' ' ' LYS . . . . . . . . . . . . . 34.6 mmtm 61.78 47.85 5.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 142' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -80.9 -26.11 37.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 143' ' ' THR . . . . . . . . . . . . . 98.9 m -52.22 -48.75 64.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.141 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 12.3 mtt -63.47 -44.15 95.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.835 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.02 -39.06 58.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.855 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 146' ' ' ARG . . . . . . . . . . . . . 19.8 tpt180 -81.61 -23.62 36.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 147' ' ' LEU . . . . . 0.409 HD13 ' HG2' ' A' ' 44' ' ' MET . 19.5 mt -69.03 -24.08 64.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 148' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -58.47 -22.9 56.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -80.46 -16.31 54.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -67.82 -30.15 69.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.832 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 23.9 p -51.02 -30.52 15.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.149 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 152' ' ' GLU . . . . . 0.529 ' CG ' HD22 ' B' ' 153' ' ' LEU . 14.1 pt-20 -54.45 -31.43 55.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.846 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 153' ' ' LEU . . . . . 0.529 HD22 ' CG ' ' B' ' 152' ' ' GLU . 4.3 mm? -67.6 -29.73 69.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 3.2 m -114.24 21.22 6.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.149 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 155' ' ' GLU . . . . . 0.425 ' HB2' ' HD2' ' B' ' 156' ' ' PRO . 2.8 pt-20 -60.63 160.36 19.64 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.678 0.752 . . . . 0.0 110.851 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 156' ' ' PRO . . . . . 0.425 ' HD2' ' HB2' ' B' ' 155' ' ' GLU . 53.7 Cg_endo -69.79 130.54 19.49 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.704 2.269 . . . . 0.0 112.335 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 157' ' ' LEU . . . . . 0.645 HD23 ' N ' ' B' ' 158' ' ' GLY . 2.0 tt -91.84 145.12 24.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.937 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 158' ' ' GLY . . . . . 0.645 ' N ' HD23 ' B' ' 157' ' ' LEU . . . . . . . . 0 N--CA 1.452 -0.268 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.441 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.769 0.319 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -148.67 175.49 11.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.874 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -112.29 -175.57 2.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 13.0 ptt-85 38.28 54.14 1.75 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -122.87 25.65 8.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.108 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 m -83.7 113.89 50.17 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.648 0.737 . . . . 0.0 110.902 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -40.67 4.97 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.691 2.26 . . . . 0.0 112.303 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -63.67 -55.25 24.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.952 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.783 ' HA ' HD12 ' A' ' 12' ' ' ILE . 68.8 p -53.68 -31.01 46.09 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.174 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 49.6 m -72.86 -33.53 66.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.604 ' O ' HG23 ' A' ' 15' ' ' VAL . 37.5 mm -79.87 -33.75 14.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.139 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.783 HD12 ' HA ' ' A' ' 9' ' ' THR . 24.7 mt -63.69 -43.34 98.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.089 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.1 p -72.83 -30.12 63.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.798 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.81 -45.72 34.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.143 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 11' ' ' ILE . 78.4 t -60.47 -62.82 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.078 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.757 HG13 HG13 ' B' ' 116' ' ' VAL . 56.3 t -48.87 -47.07 16.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.124 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.461 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -47.15 -56.55 7.76 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.528 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.684 ' O ' HG23 ' A' ' 22' ' ' VAL . 39.7 mt -65.34 -34.59 71.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.878 0.37 . . . . 0.0 111.091 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.4 mt -57.92 -52.33 65.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.953 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.556 HD12 HG12 ' A' ' 16' ' ' VAL . 0.9 OUTLIER -58.18 -43.03 87.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 179.905 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 17' ' ' GLY . 47.9 t -67.15 -26.88 37.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.115 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.684 HG23 ' O ' ' A' ' 18' ' ' ILE . 43.3 t -75.66 -54.32 14.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.139 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.669 ' O ' HG23 ' A' ' 27' ' ' VAL . 5.2 m -49.51 -46.41 20.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.156 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.452 HD21 HD23 ' B' ' 124' ' ' LEU . 13.2 mt -61.65 -52.28 65.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -45.66 -38.14 7.28 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.499 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.409 HG12 ' CD1' ' A' ' 30' ' ' ILE . 94.6 t -72.04 -40.21 67.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.879 0.371 . . . . 0.0 111.137 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 23' ' ' VAL . 13.8 t -67.39 -43.1 87.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -61.23 -50.78 71.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.902 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.495 ' HA2' HD12 ' A' ' 32' ' ' ILE . . . -61.04 -39.79 97.59 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.495 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.409 ' CD1' HG12 ' A' ' 26' ' ' VAL . 33.1 mt -56.61 -50.0 75.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.804 0.335 . . . . 0.0 111.13 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.423 ' HA ' ' HG2' ' A' ' 34' ' ' ARG . 11.1 mt -58.17 -50.45 73.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.495 HD12 ' HA2' ' A' ' 29' ' ' GLY . 31.5 mt -53.38 -48.84 56.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.099 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.28 -45.37 80.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.423 ' HG2' ' HA ' ' A' ' 31' ' ' LEU . 2.8 ptm180 -71.61 -16.2 62.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.842 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.05 -42.36 12.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.503 HE21 HG23 ' A' ' 43' ' ' THR . 28.1 mm-40 -52.7 163.23 0.48 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.987 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -97.36 -70.09 0.73 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.986 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -116.12 -36.66 4.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.69 HG23 ' HB2' ' A' ' 42' ' ' TYR . 74.2 mt -51.31 123.75 3.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.53 -68.43 0.73 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -124.14 10.32 8.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.69 ' HB2' HG23 ' A' ' 39' ' ' ILE . 7.3 m-85 -91.23 13.36 17.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.976 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.503 HG23 HE21 ' A' ' 36' ' ' GLN . 65.7 m -55.3 -74.38 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.078 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 13.1 mmm -52.95 -48.66 67.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.874 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.66 -32.58 52.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.0 tpp180 -82.16 -23.55 35.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.478 HD22 ' SD ' ' B' ' 144' ' ' MET . 51.2 mt -75.06 -17.68 60.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -58.41 -22.76 55.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.98 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -80.4 -15.92 55.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.972 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -77.43 -22.41 51.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 45.1 p -52.13 -29.04 20.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.526 ' CG ' HD22 ' A' ' 53' ' ' LEU . 15.0 pt-20 -54.95 -26.9 39.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.526 HD22 ' CG ' ' A' ' 52' ' ' GLU . 4.3 mm? -74.18 -28.9 61.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.905 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.0 m -114.5 21.44 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.07 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -84.24 162.15 52.46 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.577 0.703 . . . . 0.0 110.912 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 166.79 26.36 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.694 2.263 . . . . 0.0 112.332 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 29.8 mt -119.51 135.31 54.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.941 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 CA-C-O 119.129 -0.817 . . . . 0.0 112.527 179.9 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.783 0.325 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 9.7 mp0 -148.62 178.21 8.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -116.28 7.24 13.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 36.4 ptt85 -93.73 43.19 1.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -138.33 35.02 2.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.134 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 1.6 m -77.71 113.97 37.05 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-O 121.72 0.771 . . . . 0.0 110.887 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 -40.01 5.92 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.701 2.267 . . . . 0.0 112.319 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . 0.419 ' O ' HG13 ' B' ' 112' ' ' ILE . 2.3 mm? -64.37 -54.9 25.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 109' ' ' THR . . . . . 0.795 ' HA ' HD12 ' B' ' 112' ' ' ILE . 69.8 p -53.7 -31.79 49.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.163 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 42.3 m -71.98 -33.71 68.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.862 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 111' ' ' ILE . . . . . 0.596 ' O ' HG23 ' B' ' 115' ' ' VAL . 36.4 mm -79.5 -33.4 15.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.095 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 112' ' ' ILE . . . . . 0.795 HD12 ' HA ' ' B' ' 109' ' ' THR . 25.8 mt -63.52 -42.95 97.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.104 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 3.1 p -72.77 -31.59 65.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -74.85 -44.8 47.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.099 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 115' ' ' VAL . . . . . 0.596 HG23 ' O ' ' B' ' 111' ' ' ILE . 65.4 t -60.6 -62.1 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.17 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 116' ' ' VAL . . . . . 0.757 HG13 HG13 ' A' ' 16' ' ' VAL . 57.9 t -48.5 -48.18 14.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.092 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 117' ' ' GLY . . . . . 0.47 ' O ' HG23 ' B' ' 121' ' ' VAL . . . -47.14 -56.29 7.99 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.462 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 118' ' ' ILE . . . . . 0.702 ' O ' HG23 ' B' ' 122' ' ' VAL . 41.5 mt -65.2 -34.6 71.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.835 0.35 . . . . 0.0 111.171 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 12.5 mt -57.95 -52.99 63.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.913 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . 0.514 HD12 HG12 ' B' ' 116' ' ' VAL . 1.0 OUTLIER -57.53 -43.01 84.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 121' ' ' VAL . . . . . 0.47 HG23 ' O ' ' B' ' 117' ' ' GLY . 47.9 t -66.44 -27.96 41.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 122' ' ' VAL . . . . . 0.702 HG23 ' O ' ' B' ' 118' ' ' ILE . 49.0 t -74.05 -55.51 12.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.15 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 123' ' ' VAL . . . . . 0.595 ' O ' HG23 ' B' ' 127' ' ' VAL . 4.4 m -48.57 -46.36 14.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.117 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . 0.455 HD23 ' HA ' ' B' ' 124' ' ' LEU . 12.4 mt -59.83 -51.89 67.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.024 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 125' ' ' GLY . . . . . . . . . . . . . . . -46.95 -37.85 9.86 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.466 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 84.2 t -71.1 -38.54 71.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.929 0.395 . . . . 0.0 111.144 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 127' ' ' VAL . . . . . 0.595 HG23 ' O ' ' B' ' 123' ' ' VAL . 16.5 t -68.99 -41.81 81.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.099 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 128' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -63.55 -49.5 73.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 129' ' ' GLY . . . . . 0.554 ' HA2' HD12 ' B' ' 132' ' ' ILE . . . -57.58 -42.68 94.22 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.472 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 44.1 mt -58.23 -54.07 37.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.834 0.349 . . . . 0.0 111.151 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 10.5 mt -49.56 -53.18 25.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.955 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 132' ' ' ILE . . . . . 0.554 HD12 ' HA2' ' B' ' 129' ' ' GLY . 25.1 mt -49.65 -58.45 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.11 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.97 -22.89 63.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.837 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 134' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.26 -18.28 43.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.59 -40.77 10.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -57.47 -30.28 64.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -83.91 -68.69 0.69 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.84 154.06 4.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.921 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 59.9 mt -81.67 96.03 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.103 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 140' ' ' ARG . . . . . . . . . . . . . 1.5 mmm180 -88.69 -13.28 40.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 141' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 63.79 56.45 1.5 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.865 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 142' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -58.55 -24.98 61.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.894 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 143' ' ' THR . . . . . . . . . . . . . 66.9 m -52.0 -65.74 0.5 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.079 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 144' ' ' MET . . . . . 0.478 ' SD ' HD22 ' A' ' 47' ' ' LEU . 8.8 mmm -49.84 -49.26 49.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.82 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -52.9 -35.2 57.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.818 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 146' ' ' ARG . . . . . . . . . . . . . 15.1 tpp180 -82.3 -23.4 35.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.868 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 147' ' ' LEU . . . . . . . . . . . . . 52.3 mt -72.77 -16.55 61.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.96 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 148' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -57.73 -22.9 49.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -80.67 -16.86 52.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -78.26 -21.23 50.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 45.8 p -51.38 -29.86 17.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.172 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 152' ' ' GLU . . . . . 0.54 ' CG ' HD22 ' B' ' 153' ' ' LEU . 15.0 pt-20 -55.07 -27.05 41.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 153' ' ' LEU . . . . . 0.54 HD22 ' CG ' ' B' ' 152' ' ' GLU . 4.3 mm? -74.43 -28.68 61.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 3.0 m -114.3 22.06 5.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.131 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 155' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -83.86 162.17 53.33 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.605 0.716 . . . . 0.0 110.861 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 156' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 130.42 19.35 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.675 2.25 . . . . 0.0 112.364 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 157' ' ' LEU . . . . . . . . . . . . . 20.7 tp -100.72 111.04 23.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.854 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 158' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.509 179.871 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.742 0.305 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -162.23 163.73 28.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.906 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -95.89 -175.57 3.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.97 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.5 mtp-105 57.74 48.56 13.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.783 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -129.07 29.17 5.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.07 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.8 m -87.11 114.3 57.8 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.654 0.74 . . . . 0.0 110.779 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.79 -43.01 2.88 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.743 2.296 . . . . 0.0 112.261 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.92 -55.06 33.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.58 ' HA ' HD12 ' A' ' 12' ' ' ILE . 48.7 p -54.92 -27.44 43.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.059 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 68.6 m -75.01 -34.56 61.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.863 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.678 ' O ' HG23 ' A' ' 15' ' ' VAL . 42.7 mm -77.05 -40.74 30.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.136 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.886 HG21 HG21 ' B' ' 112' ' ' ILE . 17.8 mt -59.96 -44.59 94.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.174 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.2 m -67.08 -33.85 76.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.817 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.97 -42.62 63.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.144 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.678 HG23 ' O ' ' A' ' 11' ' ' ILE . 97.6 t -61.19 -55.32 25.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.091 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.71 HG13 HG13 ' B' ' 116' ' ' VAL . 60.8 t -51.64 -52.39 21.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.172 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.569 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -46.19 -53.99 8.8 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.49 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.689 ' O ' HG23 ' A' ' 22' ' ' VAL . 39.0 mt -67.77 -34.01 65.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.915 0.388 . . . . 0.0 111.17 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.661 ' CD1' HG12 ' A' ' 15' ' ' VAL . 33.5 mt -58.91 -51.05 71.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.449 HD12 HG12 ' A' ' 16' ' ' VAL . 1.3 mt -60.16 -41.72 93.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.937 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 17' ' ' GLY . 46.0 t -67.88 -27.69 38.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.1 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.689 HG23 ' O ' ' A' ' 18' ' ' ILE . 42.5 t -74.92 -54.93 13.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.099 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.622 ' O ' HG23 ' A' ' 27' ' ' VAL . 5.0 m -49.22 -47.83 18.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.223 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.445 HD23 HD21 ' B' ' 124' ' ' LEU . 13.3 mt -59.53 -51.38 70.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.933 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -46.41 -39.12 9.7 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.525 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 90.9 t -70.66 -39.21 75.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.891 0.377 . . . . 0.0 111.137 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 23' ' ' VAL . 11.2 t -68.59 -43.54 83.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.214 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -61.37 -51.96 66.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.667 ' HA2' HD12 ' A' ' 32' ' ' ILE . . . -58.34 -39.15 92.29 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.486 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 35.5 mt -58.44 -48.57 84.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.895 0.378 . . . . 0.0 111.142 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.429 ' O ' ' HG2' ' A' ' 34' ' ' ARG . 11.4 mt -58.3 -43.29 88.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.967 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.667 HD12 ' HA2' ' A' ' 29' ' ' GLY . 24.6 mt -59.92 -51.13 76.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.11 -47.86 74.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.429 ' HG2' ' O ' ' A' ' 31' ' ' LEU . 0.3 OUTLIER -70.64 -10.88 60.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.868 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.01 -43.98 8.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.942 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -53.06 102.21 0.05 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.987 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -116.42 -42.24 3.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.898 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.8 mmtm -147.81 172.28 14.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.8 mp -50.42 105.33 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.161 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.8 mmm180 -117.0 21.31 13.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -73.27 -43.48 60.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -52.08 -33.35 38.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.945 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 96.5 m -55.72 -59.3 5.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.169 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.451 ' O ' HD23 ' A' ' 48' ' ' LEU . 0.9 OUTLIER -51.52 -40.82 60.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 179.889 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.19 -33.75 54.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.813 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 28.4 tpt180 -82.32 -33.63 28.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.22 -36.5 83.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.946 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.451 HD23 ' O ' ' A' ' 44' ' ' MET . 4.1 mm? -56.91 -24.51 52.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -84.45 -21.66 30.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -73.88 -24.18 59.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 45.6 p -51.9 -29.02 18.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.178 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.55 ' CG ' HD22 ' A' ' 53' ' ' LEU . 16.2 pt-20 -54.97 -26.69 38.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.55 HD22 ' CG ' ' A' ' 52' ' ' GLU . 4.3 mm? -74.7 -28.91 61.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.947 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.1 m -114.63 23.11 5.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.152 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -84.93 162.13 50.69 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.605 0.717 . . . . 0.0 110.933 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.65 167.33 24.62 Favored 'Trans proline' 0 C--O 1.233 0.239 0 C-N-CA 122.659 2.239 . . . . 0.0 112.37 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.3 mp -73.96 -61.27 1.91 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.878 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 CA-C-O 119.15 -0.806 . . . . 0.0 112.55 179.892 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 120.724 0.297 . . . . 0.0 111.092 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -139.44 -175.51 4.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -71.34 -23.24 61.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.915 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 104' ' ' ARG . . . . . 0.619 ' O ' ' HB3' ' B' ' 105' ' ' ALA . 10.6 mmp_? -52.45 172.61 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.86 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 105' ' ' ALA . . . . . 0.619 ' HB3' ' O ' ' B' ' 104' ' ' ARG . . . 79.18 41.08 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.076 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.13 113.54 52.52 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.679 0.752 . . . . 0.0 110.844 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -42.85 3.05 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.678 2.252 . . . . 0.0 112.314 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -62.23 -54.44 40.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.935 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 109' ' ' THR . . . . . 0.691 ' HA ' HD12 ' B' ' 112' ' ' ILE . 41.7 p -54.49 -29.52 50.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.108 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 58.8 m -73.57 -35.05 65.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.824 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 111' ' ' ILE . . . . . 0.694 ' O ' HG23 ' B' ' 115' ' ' VAL . 39.8 mm -76.09 -40.45 37.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.133 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 112' ' ' ILE . . . . . 0.886 HG21 HG21 ' A' ' 12' ' ' ILE . 14.5 mt -59.83 -42.36 88.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.071 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 32.3 m -68.07 -36.16 79.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.838 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -71.63 -42.87 67.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.049 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 115' ' ' VAL . . . . . 0.694 HG23 ' O ' ' B' ' 111' ' ' ILE . 96.7 t -59.91 -55.45 23.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.163 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 116' ' ' VAL . . . . . 0.71 HG13 HG13 ' A' ' 16' ' ' VAL . 57.5 t -51.28 -53.29 15.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.152 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 117' ' ' GLY . . . . . 0.535 ' O ' HG23 ' B' ' 121' ' ' VAL . . . -44.95 -54.89 6.63 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.489 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 118' ' ' ILE . . . . . 0.681 ' O ' HG23 ' B' ' 122' ' ' VAL . 36.1 mt -66.62 -34.61 71.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.899 0.381 . . . . 0.0 111.118 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 119' ' ' LEU . . . . . 0.676 ' CD1' HG12 ' B' ' 115' ' ' VAL . 35.5 mt -58.65 -51.28 70.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . 0.475 HD12 HG12 ' B' ' 116' ' ' VAL . 1.2 mt -59.2 -41.98 89.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 121' ' ' VAL . . . . . 0.535 HG23 ' O ' ' B' ' 117' ' ' GLY . 43.3 t -68.26 -27.19 36.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.077 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 122' ' ' VAL . . . . . 0.681 HG23 ' O ' ' B' ' 118' ' ' ILE . 47.1 t -76.61 -53.58 14.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.085 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 123' ' ' VAL . . . . . 0.699 ' O ' HG23 ' B' ' 127' ' ' VAL . 6.0 m -49.75 -47.62 21.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.174 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . 0.445 HD21 HD23 ' A' ' 24' ' ' LEU . 13.3 mt -62.32 -53.13 59.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 125' ' ' GLY . . . . . . . . . . . . . . . -44.66 -38.23 5.44 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.504 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 126' ' ' VAL . . . . . 0.489 HG12 ' CD1' ' B' ' 130' ' ' ILE . 88.5 t -72.05 -41.8 67.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.933 0.397 . . . . 0.0 111.154 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 127' ' ' VAL . . . . . 0.699 HG23 ' O ' ' B' ' 123' ' ' VAL . 11.4 t -66.08 -44.77 91.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.074 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 128' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -59.87 -53.11 61.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.852 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 129' ' ' GLY . . . . . . . . . . . . . . . -61.2 -35.96 91.67 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.474 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 130' ' ' ILE . . . . . 0.489 ' CD1' HG12 ' B' ' 126' ' ' VAL . 18.3 mt -57.54 -51.39 70.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.864 0.364 . . . . 0.0 111.108 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 131' ' ' LEU . . . . . 0.412 ' HA ' ' HG2' ' B' ' 134' ' ' ARG . 11.2 mt -59.75 -48.49 81.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.946 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 38.1 mt -56.07 -49.69 74.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.151 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.51 -44.44 76.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 134' ' ' ARG . . . . . 0.412 ' HG2' ' HA ' ' B' ' 131' ' ' LEU . 0.1 OUTLIER -71.82 -19.46 61.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.832 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.09 -38.24 19.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.861 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -55.87 178.61 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -52.05 -28.64 18.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 19.9 mmmt -86.94 104.61 16.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 139' ' ' ILE . . . . . 0.702 HG22 ' H ' ' B' ' 141' ' ' LYS . 15.7 mt -75.08 142.37 14.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.143 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 140' ' ' ARG . . . . . . . . . . . . . 55.2 mmm-85 -114.53 1.4 14.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.857 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 141' ' ' LYS . . . . . 0.702 ' H ' HG22 ' B' ' 139' ' ' ILE . 19.7 mttt 52.51 30.59 8.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 142' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -82.86 -15.22 52.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.943 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 143' ' ' THR . . . . . . . . . . . . . 98.8 m -53.56 -62.06 1.9 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.199 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 144' ' ' MET . . . . . 0.451 ' O ' HD23 ' B' ' 148' ' ' LEU . 0.7 OUTLIER -50.94 -41.28 58.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.842 179.928 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.73 -33.63 56.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.808 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 146' ' ' ARG . . . . . . . . . . . . . 28.3 tpt180 -82.27 -34.05 28.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 147' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.11 -37.03 83.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 148' ' ' LEU . . . . . 0.451 HD23 ' O ' ' B' ' 144' ' ' MET . 4.1 mm? -56.82 -25.33 55.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.848 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -84.56 -21.83 30.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.901 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -73.88 -24.25 59.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.96 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 45.4 p -51.61 -29.75 18.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 152' ' ' GLU . . . . . 0.561 ' CG ' HD22 ' B' ' 153' ' ' LEU . 16.2 pt-20 -55.27 -26.64 41.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.879 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 153' ' ' LEU . . . . . 0.561 HD22 ' CG ' ' B' ' 152' ' ' GLU . 4.3 mm? -74.71 -28.38 60.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 2.9 m -114.42 23.05 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.083 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 155' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -127.66 68.23 74.03 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.667 0.746 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 156' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 170.48 16.54 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.694 2.263 . . . . 0.0 112.341 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 157' ' ' LEU . . . . . . . . . . . . . 7.4 tt -109.76 -34.87 6.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.976 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 158' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.499 179.905 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.747 0.308 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -159.36 170.01 22.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -100.92 -179.76 4.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.943 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.1 mtt180 59.25 53.64 5.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.821 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -132.79 31.4 3.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.107 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m -90.16 114.71 61.94 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.699 0.761 . . . . 0.0 110.885 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -43.9 2.4 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.699 2.266 . . . . 0.0 112.275 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.1 mt -62.56 -54.69 35.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.885 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.559 ' HA ' HD12 ' A' ' 12' ' ' ILE . 31.1 p -53.81 -28.83 37.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.096 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 70.0 m -74.0 -34.1 64.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.867 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.685 ' O ' HG23 ' A' ' 15' ' ' VAL . 41.9 mm -76.82 -40.95 32.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.095 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.921 HG21 HG21 ' B' ' 112' ' ' ILE . 21.4 mt -59.38 -45.24 93.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.112 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 13.6 t -66.53 -34.49 78.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.831 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.73 -42.64 63.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.121 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 11' ' ' ILE . 94.7 t -60.48 -55.84 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.088 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.714 HG13 HG13 ' B' ' 116' ' ' VAL . 60.3 t -51.58 -52.68 19.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.123 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.546 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -45.18 -54.53 7.09 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.526 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.651 ' O ' HG23 ' A' ' 22' ' ' VAL . 34.9 mt -67.86 -33.97 64.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.84 0.352 . . . . 0.0 111.068 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.665 ' CD1' HG12 ' A' ' 15' ' ' VAL . 33.6 mt -58.61 -50.64 73.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.469 HD12 HG12 ' A' ' 16' ' ' VAL . 1.3 mt -60.78 -42.2 97.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.882 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 17' ' ' GLY . 43.7 t -68.56 -27.52 36.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.135 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.651 HG23 ' O ' ' A' ' 18' ' ' ILE . 36.8 t -75.7 -53.09 16.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.15 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.697 ' O ' HG23 ' A' ' 27' ' ' VAL . 6.5 m -50.7 -47.53 28.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.14 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.442 HD23 ' HA ' ' A' ' 24' ' ' LEU . 13.3 mt -61.97 -52.25 64.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -45.56 -38.64 7.35 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.435 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.415 HG12 ' CD1' ' A' ' 30' ' ' ILE . 87.8 t -71.61 -40.47 71.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.859 0.361 . . . . 0.0 111.123 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.697 HG23 ' O ' ' A' ' 23' ' ' VAL . 11.1 t -67.57 -44.15 86.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.052 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -60.38 -51.55 69.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.486 ' HA2' HD12 ' A' ' 32' ' ' ILE . . . -61.47 -38.68 96.17 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.442 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.415 ' CD1' HG12 ' A' ' 26' ' ' VAL . 26.1 mt -56.37 -49.0 78.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.859 0.362 . . . . 0.0 111.122 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.455 ' HA ' ' HG2' ' A' ' 34' ' ' ARG . 11.2 mt -60.64 -48.59 81.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.486 HD12 ' HA2' ' A' ' 29' ' ' GLY . 33.8 mt -55.23 -49.07 75.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.18 -45.39 83.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.455 ' HG2' ' HA ' ' A' ' 31' ' ' LEU . 0.8 OUTLIER -71.26 -13.76 62.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.0 -42.1 10.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.552 ' NE2' HD11 ' A' ' 39' ' ' ILE . 3.8 mt-30 -54.81 101.14 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.952 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -116.94 -40.72 3.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.961 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.7 ptpt -153.25 98.51 2.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.875 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.552 HD11 ' NE2' ' A' ' 36' ' ' GLN . 65.9 mt -75.91 101.11 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.124 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -115.24 -7.92 12.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.86 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? 54.61 33.7 19.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.929 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -107.11 -15.81 14.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.945 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 75.1 m -53.36 -44.26 68.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.095 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 9.8 mmt -85.42 -49.77 7.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.818 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.75 -30.41 22.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.1 tpp180 -82.01 -31.23 31.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.834 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.8 mt -67.75 -20.06 65.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -57.81 -23.34 52.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -77.36 -18.96 56.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -73.01 -24.08 60.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.858 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.974 HG22 HD11 ' B' ' 148' ' ' LEU . 76.2 p -54.26 -28.29 40.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.16 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -60.74 -19.1 58.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -88.5 -24.63 22.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.952 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.561 HG11 ' CD ' ' B' ' 145' ' ' ARG . 2.6 m -116.93 25.35 4.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.11 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.428 ' HB2' ' HD2' ' A' ' 56' ' ' PRO . 3.6 pt-20 -146.64 160.04 42.48 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.647 0.736 . . . . 0.0 110.834 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.428 ' HD2' ' HB2' ' A' ' 55' ' ' GLU . 54.6 Cg_endo -69.76 150.51 68.34 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.688 2.259 . . . . 0.0 112.381 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 13.7 mt -91.55 -31.37 15.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.926 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 CA-C-O 119.138 -0.812 . . . . 0.0 112.485 179.891 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.687 0.28 . . . . 0.0 111.066 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -160.48 174.59 13.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -112.34 -170.01 1.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.953 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 38.52 47.75 1.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.836 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -118.56 22.84 11.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.148 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 16.1 m -82.94 113.89 48.72 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.63 0.728 . . . . 0.0 110.832 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -45.54 1.55 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.673 2.249 . . . . 0.0 112.331 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 6.1 mt -60.85 -54.7 41.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 109' ' ' THR . . . . . 0.583 ' HA ' HD12 ' B' ' 112' ' ' ILE . 31.4 p -53.69 -29.77 40.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.17 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 70.8 m -73.73 -34.04 64.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.837 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 111' ' ' ILE . . . . . 0.691 ' O ' HG23 ' B' ' 115' ' ' VAL . 42.1 mm -76.55 -41.11 34.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.133 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 112' ' ' ILE . . . . . 0.921 HG21 HG21 ' A' ' 12' ' ' ILE . 20.5 mt -59.29 -44.59 92.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.089 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 13.6 t -66.81 -34.97 78.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.856 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -72.5 -42.37 64.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.139 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 115' ' ' VAL . . . . . 0.691 HG23 ' O ' ' B' ' 111' ' ' ILE . 94.9 t -60.49 -55.89 21.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.159 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 116' ' ' VAL . . . . . 0.714 HG13 HG13 ' A' ' 16' ' ' VAL . 59.5 t -51.43 -52.58 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.147 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 117' ' ' GLY . . . . . 0.544 ' O ' HG23 ' B' ' 121' ' ' VAL . . . -45.42 -54.64 7.32 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.441 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 118' ' ' ILE . . . . . 0.655 ' O ' HG23 ' B' ' 122' ' ' VAL . 35.2 mt -67.65 -33.86 64.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.934 0.397 . . . . 0.0 111.122 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 119' ' ' LEU . . . . . 0.667 ' CD1' HG12 ' B' ' 115' ' ' VAL . 33.8 mt -58.69 -50.78 72.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . 0.473 HD12 HG12 ' B' ' 116' ' ' VAL . 1.3 mt -60.49 -42.32 96.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.949 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 121' ' ' VAL . . . . . 0.544 HG23 ' O ' ' B' ' 117' ' ' GLY . 43.6 t -68.31 -27.58 37.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.086 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 122' ' ' VAL . . . . . 0.655 HG23 ' O ' ' B' ' 118' ' ' ILE . 37.3 t -75.45 -53.37 16.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.156 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 123' ' ' VAL . . . . . 0.643 ' O ' HG23 ' B' ' 127' ' ' VAL . 5.9 m -50.55 -47.5 27.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.15 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . 0.423 ' N ' HG23 ' B' ' 123' ' ' VAL . 13.3 mt -60.39 -51.98 67.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.934 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 125' ' ' GLY . . . . . . . . . . . . . . . -46.01 -38.5 8.29 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.515 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 88.3 t -71.21 -40.23 74.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.848 0.356 . . . . 0.0 111.128 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 127' ' ' VAL . . . . . 0.643 HG23 ' O ' ' B' ' 123' ' ' VAL . 11.1 t -67.65 -44.55 86.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.175 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 128' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -60.12 -52.07 66.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.881 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 129' ' ' GLY . . . . . 0.518 ' HA2' HD12 ' B' ' 132' ' ' ILE . . . -60.52 -38.36 94.78 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.45 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 24.9 mt -56.95 -48.39 81.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.83 0.348 . . . . 0.0 111.148 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 131' ' ' LEU . . . . . 0.434 ' O ' ' HG2' ' B' ' 134' ' ' ARG . 11.4 mt -60.77 -46.28 91.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.945 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 132' ' ' ILE . . . . . 0.518 HD12 ' HA2' ' B' ' 129' ' ' GLY . 31.6 mt -57.96 -47.52 86.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.087 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.53 -46.26 84.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.914 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 134' ' ' ARG . . . . . 0.434 ' HG2' ' O ' ' B' ' 131' ' ' LEU . 3.7 ptm180 -73.35 -8.17 54.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.855 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.11 -28.29 14.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -72.3 -6.62 44.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 67.36 53.26 0.76 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.973 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -109.24 -14.73 14.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 139' ' ' ILE . . . . . 0.619 HG22 ' H ' ' B' ' 140' ' ' ARG . 1.3 mt -91.42 175.45 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.119 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 140' ' ' ARG . . . . . 0.619 ' H ' HG22 ' B' ' 139' ' ' ILE . 61.2 mtp180 -87.55 24.13 1.76 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 141' ' ' LYS . . . . . . . . . . . . . 21.7 mtpt 63.65 50.81 2.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.928 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 142' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -62.91 -23.55 67.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 143' ' ' THR . . . . . . . . . . . . . 51.7 m -53.09 -38.95 63.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.202 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 6.7 mmt -78.12 -51.41 10.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.865 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 145' ' ' ARG . . . . . 0.561 ' CD ' HG11 ' A' ' 54' ' ' VAL . 0.3 OUTLIER -52.24 -30.23 26.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 -179.88 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 146' ' ' ARG . . . . . . . . . . . . . 15.9 tpp180 -82.16 -31.2 30.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 147' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' B' ' 147' ' ' LEU . 15.0 mt -67.24 -18.44 65.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 148' ' ' LEU . . . . . 0.974 HD11 HG22 ' A' ' 51' ' ' THR . 4.3 mm? -58.02 -22.88 51.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.977 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -77.22 -18.8 57.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.953 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -75.04 -22.7 58.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 82.4 p -54.58 -27.59 40.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.18 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -63.11 -17.9 62.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.868 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -90.7 -24.1 20.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.87 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 2.3 m -116.12 21.11 6.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.153 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 155' ' ' GLU . . . . . 0.442 ' HB2' ' HD2' ' B' ' 156' ' ' PRO . 4.8 pt-20 -51.78 159.26 1.38 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.588 0.709 . . . . 0.0 110.87 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 156' ' ' PRO . . . . . 0.442 ' HD2' ' HB2' ' B' ' 155' ' ' GLU . 53.6 Cg_endo -69.73 130.59 19.64 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.685 2.257 . . . . 0.0 112.345 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 157' ' ' LEU . . . . . . . . . . . . . 33.9 mt -109.28 179.45 4.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.959 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 158' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.487 179.849 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.729 0.3 . . . . 0.0 111.08 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -123.69 -167.47 1.63 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.827 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.31 -65.54 1.18 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.94 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 18.5 ptt85 -106.13 106.99 17.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.99 35.73 1.94 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.047 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 m -87.38 114.28 57.95 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.675 0.75 . . . . 0.0 110.869 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -41.01 4.57 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.658 2.239 . . . . 0.0 112.371 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -64.74 -54.48 30.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.649 ' HA ' HD12 ' A' ' 12' ' ' ILE . 35.1 p -54.36 -28.19 41.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.109 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 65.5 m -74.0 -35.32 64.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.922 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.674 ' O ' HG23 ' A' ' 15' ' ' VAL . 44.0 mm -76.66 -40.34 32.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.151 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.773 HG21 HG21 ' B' ' 112' ' ' ILE . 17.3 mt -59.7 -42.98 90.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.095 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 63.6 m -68.05 -35.92 79.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.66 -43.75 65.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.14 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.674 HG23 ' O ' ' A' ' 11' ' ' ILE . 96.8 t -59.64 -54.12 38.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.141 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.708 HG13 HG13 ' B' ' 116' ' ' VAL . 61.3 t -51.78 -55.05 10.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.091 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.445 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -43.99 -54.69 5.95 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.451 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.662 ' O ' HG23 ' A' ' 22' ' ' VAL . 33.0 mt -67.52 -34.13 66.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.881 0.372 . . . . 0.0 111.138 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.657 ' CD1' HG12 ' A' ' 15' ' ' VAL . 31.6 mt -58.57 -50.83 72.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.873 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.434 HD12 HG12 ' A' ' 16' ' ' VAL . 1.4 mt -60.27 -42.45 95.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.998 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 17' ' ' GLY . 59.9 t -68.22 -27.22 36.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.193 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 18' ' ' ILE . 39.1 t -76.17 -53.75 14.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.618 ' O ' HG23 ' A' ' 27' ' ' VAL . 5.7 m -49.85 -48.18 22.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.055 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.441 HD23 ' HA ' ' A' ' 24' ' ' LEU . 12.6 mt -59.88 -52.33 65.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -45.95 -39.51 8.93 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.536 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 96.3 t -69.73 -39.97 78.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.838 0.351 . . . . 0.0 111.076 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 23' ' ' VAL . 15.7 t -67.42 -43.7 87.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.153 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -61.62 -52.29 64.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.934 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.705 ' HA2' HD12 ' A' ' 32' ' ' ILE . . . -58.78 -45.23 95.19 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.452 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 6.3 mm -52.81 -47.91 50.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.854 0.359 . . . . 0.0 111.175 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.513 ' O ' ' HG2' ' A' ' 34' ' ' ARG . 11.5 mt -58.77 -45.34 90.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.891 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.705 HD12 ' HA2' ' A' ' 29' ' ' GLY . 22.1 mt -57.88 -48.4 83.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.156 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.23 -43.49 92.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.513 ' HG2' ' O ' ' A' ' 31' ' ' LEU . 6.0 ptm180 -74.47 -6.25 47.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.33 -43.78 6.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -52.82 103.7 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.947 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -99.99 -67.77 0.84 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -109.0 163.12 13.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 48.7 mt -58.87 97.63 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.121 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.404 HH21 HG21 ' A' ' 43' ' ' THR . 15.5 mtp180 -101.3 20.93 14.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 32.4 mmtm -68.79 -25.04 64.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -107.42 -23.42 12.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.404 HG21 HH21 ' A' ' 40' ' ' ARG . 96.9 m -53.79 -58.35 7.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.066 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.426 ' O ' HD23 ' A' ' 48' ' ' LEU . 6.7 mtt -58.99 -38.31 78.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -54.34 -36.34 63.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.86 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.8 tpp180 -74.12 -25.74 59.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.81 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -76.17 -25.81 55.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.642 HD11 ' CG2' ' B' ' 151' ' ' THR . 4.4 mm? -62.07 -25.25 67.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.954 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -84.18 -19.9 33.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.423 ' HG3' ' HE1' ' B' ' 144' ' ' MET . 40.5 mm-40 -75.29 -22.58 57.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.631 ' CG2' HD11 ' B' ' 148' ' ' LEU . 40.1 p -51.43 -29.71 16.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.153 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -54.18 -27.71 35.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.891 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -72.87 -31.38 64.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.898 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.5 m -112.91 23.95 4.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -86.41 161.99 46.96 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.657 0.741 . . . . 0.0 110.84 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 161.97 43.86 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.747 2.298 . . . . 0.0 112.324 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 14.0 mt -124.61 156.5 37.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 CA-C-O 119.094 -0.837 . . . . 0.0 112.485 179.902 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.71 0.29 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -155.58 -179.29 7.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.939 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -97.59 169.5 9.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 17.0 mtp180 64.25 61.57 0.89 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.79 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -135.73 33.45 2.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.128 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 1.5 m -96.64 114.11 63.89 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.762 0.792 . . . . 0.0 110.825 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.67 -41.24 4.56 Favored 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 122.66 2.24 . . . . 0.0 112.38 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -64.64 -54.74 27.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.979 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 109' ' ' THR . . . . . 0.587 ' HA ' HD12 ' B' ' 112' ' ' ILE . 35.7 p -54.36 -27.59 37.28 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.109 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 66.4 m -74.73 -35.2 62.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 111' ' ' ILE . . . . . 0.693 ' O ' HG23 ' B' ' 115' ' ' VAL . 43.6 mm -76.89 -40.64 31.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.175 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 112' ' ' ILE . . . . . 0.773 HG21 HG21 ' A' ' 12' ' ' ILE . 18.4 mt -59.92 -42.39 89.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.221 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 62.1 m -68.63 -35.11 76.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.785 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -72.21 -43.96 63.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.065 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 115' ' ' VAL . . . . . 0.693 HG23 ' O ' ' B' ' 111' ' ' ILE . 91.5 t -59.79 -54.24 37.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.169 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 116' ' ' VAL . . . . . 0.708 HG13 HG13 ' A' ' 16' ' ' VAL . 61.6 t -51.81 -54.85 11.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.112 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 117' ' ' GLY . . . . . 0.448 ' O ' HG23 ' B' ' 121' ' ' VAL . . . -44.13 -54.36 6.21 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.454 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 118' ' ' ILE . . . . . 0.661 ' O ' HG23 ' B' ' 122' ' ' VAL . 33.3 mt -67.93 -33.81 63.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.898 0.38 . . . . 0.0 111.136 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 119' ' ' LEU . . . . . 0.661 ' CD1' HG12 ' B' ' 115' ' ' VAL . 30.5 mt -58.87 -50.6 73.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.882 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . 0.455 HD12 HG12 ' B' ' 116' ' ' VAL . 1.3 mt -60.58 -42.49 96.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 121' ' ' VAL . . . . . 0.448 HG23 ' O ' ' B' ' 117' ' ' GLY . 58.3 t -68.0 -27.07 36.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.157 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 122' ' ' VAL . . . . . 0.661 HG23 ' O ' ' B' ' 118' ' ' ILE . 38.4 t -75.88 -54.39 13.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.103 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 123' ' ' VAL . . . . . 0.626 ' O ' HG23 ' B' ' 127' ' ' VAL . 5.2 m -49.53 -48.41 19.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . 0.425 ' N ' HG23 ' B' ' 123' ' ' VAL . 12.3 mt -60.17 -52.73 64.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 125' ' ' GLY . . . . . . . . . . . . . . . -45.8 -39.45 8.48 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.49 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 98.3 t -69.7 -40.49 79.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.884 0.373 . . . . 0.0 111.16 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 127' ' ' VAL . . . . . 0.626 HG23 ' O ' ' B' ' 123' ' ' VAL . 15.1 t -66.82 -44.33 89.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 128' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -62.66 -50.12 72.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.833 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 129' ' ' GLY . . . . . 0.438 ' HA2' HD12 ' B' ' 132' ' ' ILE . . . -61.62 -45.81 95.55 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.431 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 5.5 mm -52.42 -48.68 45.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.858 0.361 . . . . 0.0 111.083 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 131' ' ' LEU . . . . . 0.443 ' HA ' ' HG2' ' B' ' 134' ' ' ARG . 10.7 mt -58.3 -51.45 69.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 132' ' ' ILE . . . . . 0.438 HD12 ' HA2' ' B' ' 129' ' ' GLY . 27.3 mt -54.11 -50.41 54.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.041 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.12 -46.37 75.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 134' ' ' ARG . . . . . 0.443 ' HG2' ' HA ' ' B' ' 131' ' ' LEU . 0.9 OUTLIER -69.21 -17.73 63.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.913 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.39 -34.59 16.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -50.87 -33.11 22.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.898 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -158.01 105.25 1.95 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 13.5 ptpt -125.06 145.93 49.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 139' ' ' ILE . . . . . 0.476 HG22 ' H ' ' B' ' 141' ' ' LYS . 81.0 mt -71.82 131.86 34.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.068 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 140' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -75.12 -29.15 60.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 141' ' ' LYS . . . . . 0.476 ' H ' HG22 ' B' ' 139' ' ' ILE . 14.7 tttt -76.6 -7.73 55.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.89 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 142' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -92.27 14.4 16.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.893 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 143' ' ' THR . . . . . . . . . . . . . 97.5 m -56.27 -60.95 2.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.173 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 144' ' ' MET . . . . . 0.423 ' HE1' ' HG3' ' A' ' 50' ' ' GLU . 7.1 mtt -60.51 -37.52 81.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.921 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -54.31 -36.14 63.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 146' ' ' ARG . . . . . . . . . . . . . 16.9 tpp180 -74.4 -25.72 59.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 147' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -75.8 -25.4 56.35 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 148' ' ' LEU . . . . . 0.631 HD11 ' CG2' ' A' ' 51' ' ' THR . 4.4 mm? -62.3 -25.43 67.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.96 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 22.1 mm-40 -84.23 -19.63 33.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.985 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -75.39 -22.65 57.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 151' ' ' THR . . . . . 0.642 ' CG2' HD11 ' A' ' 48' ' ' LEU . 38.9 p -51.09 -30.02 14.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.187 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -54.4 -27.76 38.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.815 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -72.84 -31.04 64.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 3.5 m -112.97 24.21 4.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 155' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -125.29 68.54 58.61 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.66 0.743 . . . . 0.0 110.897 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 156' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.73 170.55 16.28 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.722 2.282 . . . . 0.0 112.337 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 157' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -133.34 118.91 19.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 158' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.505 179.925 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.059 0 CA-C-O 120.754 0.311 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -150.91 163.94 37.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.841 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -84.31 -175.22 5.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.972 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 18.3 mmt85 56.24 57.41 5.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.86 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -134.43 32.36 3.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.057 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.455 ' CB ' ' HG1' ' A' ' 9' ' ' THR . 11.5 t -93.75 114.25 62.56 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.694 0.759 . . . . 0.0 110.847 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -44.38 2.14 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.741 2.294 . . . . 0.0 112.335 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.4 mt -58.63 -55.33 36.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.674 ' HA ' HD12 ' A' ' 12' ' ' ILE . 70.6 p -55.55 -29.03 58.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.174 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 54.7 m -74.03 -32.64 63.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.918 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.67 ' O ' HG23 ' A' ' 15' ' ' VAL . 41.5 mm -79.41 -38.6 19.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.166 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.713 HG21 HG21 ' B' ' 112' ' ' ILE . 18.6 mt -60.97 -44.66 98.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.108 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 83.1 p -69.64 -32.5 71.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.99 -42.55 63.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.121 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 11' ' ' ILE . 83.8 t -61.92 -62.2 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.767 ' HA ' HD12 ' A' ' 19' ' ' LEU . 62.4 t -47.26 -46.57 9.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.11 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -49.97 -58.09 9.05 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.502 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.728 ' O ' HG23 ' A' ' 22' ' ' VAL . 41.3 mt -62.01 -34.88 65.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.819 0.342 . . . . 0.0 111.123 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.767 HD12 ' HA ' ' A' ' 16' ' ' VAL . 63.5 mt -59.63 -54.39 46.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.925 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.515 HD12 HG12 ' A' ' 16' ' ' VAL . 1.0 OUTLIER -53.99 -38.57 65.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.955 179.855 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 64.7 t -68.93 -39.24 79.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.096 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 18' ' ' ILE . 92.4 t -68.08 -55.03 18.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.064 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.843 ' O ' HG23 ' A' ' 27' ' ' VAL . 19.1 m -47.36 -44.28 8.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.153 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.464 HD23 ' HA ' ' A' ' 24' ' ' LEU . 12.5 mt -58.61 -58.93 6.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -44.0 -36.48 3.86 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.476 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.403 HG12 HG13 ' A' ' 30' ' ' ILE . 86.3 t -74.56 -42.27 48.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.836 0.35 . . . . 0.0 111.126 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.843 HG23 ' O ' ' A' ' 23' ' ' VAL . 16.3 t -62.77 -38.64 82.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.179 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -67.66 -55.43 13.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -63.16 -49.93 67.33 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.509 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.403 HG13 HG12 ' A' ' 26' ' ' VAL . 7.1 mm -49.73 -64.01 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.895 0.378 . . . . 0.0 111.079 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.647 HD22 ' NH1' ' A' ' 35' ' ' ARG . 9.8 mt -47.65 -62.49 1.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 50.3 mt -47.4 -35.95 4.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.132 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.3 tmtp? -66.75 -37.15 84.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.427 ' HG2' ' HA ' ' A' ' 31' ' ' LEU . 2.6 ptm180 -81.47 -11.87 59.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.647 ' NH1' HD22 ' A' ' 31' ' ' LEU . 1.2 mtt85 -100.67 -17.19 17.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -73.77 114.08 11.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -116.48 178.03 4.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -76.18 -19.31 58.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.95 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 48.1 mt -56.88 -25.18 21.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.098 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 14.5 mtm180 -96.78 21.34 9.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 46.8 tttt -62.27 -37.49 85.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -95.22 13.84 24.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 98.0 m -87.18 -60.99 1.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.086 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.434 ' O ' HD23 ' A' ' 48' ' ' LEU . 8.1 mtt -59.35 -31.83 69.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.95 -39.48 59.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.941 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.33 -29.52 34.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.88 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -69.76 -41.45 75.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.946 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.434 HD23 ' O ' ' A' ' 44' ' ' MET . 4.1 mm? -60.02 -22.75 63.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.962 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -82.62 -15.91 50.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -73.47 -24.3 60.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 24.1 p -51.09 -30.37 15.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.093 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.509 ' CG ' HD22 ' A' ' 53' ' ' LEU . 13.4 pt-20 -53.57 -33.69 55.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.509 HD22 ' CG ' ' A' ' 52' ' ' GLU . 4.3 mm? -65.12 -29.92 70.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.931 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.2 m -113.83 20.51 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.097 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.419 ' HB2' ' HD2' ' A' ' 56' ' ' PRO . 4.0 pt-20 -56.38 160.45 5.14 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.714 0.768 . . . . 0.0 110.793 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.419 ' HD2' ' HB2' ' A' ' 55' ' ' GLU . 53.6 Cg_endo -69.83 130.57 19.5 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.664 2.243 . . . . 0.0 112.29 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.4 tp -73.66 161.58 30.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 CA-C-O 119.2 -0.778 . . . . 0.0 112.49 179.887 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.696 0.284 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -151.45 -176.26 5.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.929 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 7.7 pm0 -78.36 -20.54 51.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.859 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 104' ' ' ARG . . . . . 0.62 ' O ' ' HB3' ' B' ' 105' ' ' ALA . 55.5 mmm-85 -53.55 174.42 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 105' ' ' ALA . . . . . 0.62 ' HB3' ' O ' ' B' ' 104' ' ' ARG . . . 78.76 39.73 0.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.014 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 1.6 m -80.19 113.71 40.95 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.587 0.708 . . . . 0.0 110.855 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -44.56 2.02 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.7 2.267 . . . . 0.0 112.309 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 1.2 mt -59.93 -54.83 41.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.95 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 109' ' ' THR . . . . . 0.748 ' HA ' HD12 ' B' ' 112' ' ' ILE . 63.2 p -54.42 -30.52 52.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 53.7 m -73.53 -33.16 64.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 111' ' ' ILE . . . . . 0.665 ' O ' HG23 ' B' ' 115' ' ' VAL . 41.0 mm -79.1 -38.52 20.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.102 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 112' ' ' ILE . . . . . 0.748 HD12 ' HA ' ' B' ' 109' ' ' THR . 15.8 mt -60.56 -43.16 93.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.169 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 83.1 p -70.55 -34.06 71.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.84 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -72.29 -41.77 66.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.074 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 115' ' ' VAL . . . . . 0.665 HG23 ' O ' ' B' ' 111' ' ' ILE . 71.8 t -61.83 -62.41 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 116' ' ' VAL . . . . . 0.765 ' HA ' HD12 ' B' ' 119' ' ' LEU . 63.2 t -47.12 -46.22 8.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.173 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -49.94 -58.12 8.99 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.45 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 118' ' ' ILE . . . . . 0.715 ' O ' HG23 ' B' ' 122' ' ' VAL . 41.5 mt -61.8 -34.55 63.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.935 0.397 . . . . 0.0 111.081 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 119' ' ' LEU . . . . . 0.765 HD12 ' HA ' ' B' ' 116' ' ' VAL . 64.4 mt -60.07 -55.09 38.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.926 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . 0.526 HD12 HG12 ' B' ' 116' ' ' VAL . 1.0 OUTLIER -53.26 -38.38 62.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.88 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 65.8 t -68.53 -39.23 80.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 122' ' ' VAL . . . . . 0.715 HG23 ' O ' ' B' ' 118' ' ' ILE . 91.8 t -67.83 -55.48 16.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.175 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 123' ' ' VAL . . . . . 0.838 ' O ' HG23 ' B' ' 127' ' ' VAL . 16.6 m -46.8 -44.78 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.152 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . 0.461 HD23 ' HA ' ' B' ' 124' ' ' LEU . 12.5 mt -58.25 -58.62 7.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 125' ' ' GLY . . . . . . . . . . . . . . . -43.87 -37.78 4.23 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.519 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 126' ' ' VAL . . . . . 0.403 HG12 HG13 ' B' ' 130' ' ' ILE . 84.0 t -73.25 -42.16 57.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.897 0.379 . . . . 0.0 111.183 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 127' ' ' VAL . . . . . 0.838 HG23 ' O ' ' B' ' 123' ' ' VAL . 15.7 t -62.99 -39.02 83.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.154 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 128' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -66.44 -55.93 13.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 129' ' ' GLY . . . . . . . . . . . . . . . -63.29 -47.38 88.31 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.478 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 130' ' ' ILE . . . . . 0.403 HG13 HG12 ' B' ' 126' ' ' VAL . 4.9 mm -50.03 -63.83 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.833 0.349 . . . . 0.0 111.12 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 131' ' ' LEU . . . . . 0.624 HD22 ' NH1' ' B' ' 135' ' ' ARG . 9.3 mt -48.46 -61.23 2.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.951 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 42.4 mt -47.43 -36.67 4.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.13 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.96 -35.28 80.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 134' ' ' ARG . . . . . 0.42 ' HG2' ' HA ' ' B' ' 131' ' ' LEU . 0.6 OUTLIER -84.21 -6.7 59.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 135' ' ' ARG . . . . . 0.624 ' NH1' HD22 ' B' ' 131' ' ' LEU . 0.9 OUTLIER -107.36 -9.93 15.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.809 -179.907 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -78.37 -62.48 1.67 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.007 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -51.88 -47.87 64.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 12.3 pttp -170.53 148.49 3.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.963 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 10.0 mt -75.99 99.26 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.109 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 140' ' ' ARG . . . . . . . . . . . . . 6.9 mtp85 -58.1 -174.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 141' ' ' LYS . . . . . . . . . . . . . 54.9 tttt -86.84 40.7 0.92 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.943 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 142' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -109.54 8.95 25.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 143' ' ' THR . . . . . . . . . . . . . 85.0 m -81.36 -59.57 2.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.133 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 144' ' ' MET . . . . . 0.445 ' O ' HD23 ' B' ' 148' ' ' LEU . 6.3 mtt -57.11 -32.5 66.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.884 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.6 -38.94 61.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 146' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.17 -30.01 31.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 147' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -68.59 -41.39 79.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 148' ' ' LEU . . . . . 0.445 HD23 ' O ' ' B' ' 144' ' ' MET . 4.1 mm? -60.51 -22.81 63.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.826 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -82.39 -15.81 51.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.877 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -73.19 -24.52 60.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.808 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 25.4 p -51.6 -29.48 17.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.139 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 152' ' ' GLU . . . . . 0.505 ' HG3' HD22 ' B' ' 153' ' ' LEU . 13.5 pt-20 -53.15 -33.75 53.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 153' ' ' LEU . . . . . 0.505 HD22 ' HG3' ' B' ' 152' ' ' GLU . 4.3 mm? -65.12 -31.01 71.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.913 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 3.5 m -113.7 22.21 5.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.163 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 155' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -85.09 162.1 50.35 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.592 0.711 . . . . 0.0 110.931 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 156' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 154.35 68.15 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.696 2.264 . . . . 0.0 112.355 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 157' ' ' LEU . . . . . . . . . . . . . 5.4 mp -71.74 155.7 40.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.951 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 158' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.513 179.886 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.769 0.318 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -149.94 164.46 35.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -87.03 -172.66 4.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? 52.64 52.34 14.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -133.27 31.51 3.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.127 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.4 m -89.84 113.91 58.74 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.742 0.782 . . . . 0.0 110.899 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -44.8 1.87 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.669 2.246 . . . . 0.0 112.364 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -61.24 -54.99 37.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.668 ' HA ' HD12 ' A' ' 12' ' ' ILE . 34.6 p -52.71 -32.58 43.62 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.183 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 49.8 m -71.37 -33.66 69.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.813 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.688 ' O ' HG23 ' A' ' 15' ' ' VAL . 38.1 mm -75.59 -37.5 36.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.118 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.941 HG23 HG23 ' B' ' 112' ' ' ILE . 31.0 mt -60.6 -57.98 9.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.07 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 17.2 t -57.95 -31.24 66.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.855 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.45 -42.46 61.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.149 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.688 HG23 ' O ' ' A' ' 11' ' ' ILE . 79.3 t -63.27 -57.62 11.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.095 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.906 HG13 HG13 ' B' ' 116' ' ' VAL . 3.5 t -49.49 -49.99 17.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.131 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -49.0 -56.79 9.56 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.536 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.578 ' O ' HG23 ' A' ' 22' ' ' VAL . 59.7 mt -60.4 -46.7 94.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.793 0.33 . . . . 0.0 111.08 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 80.1 mt -50.81 -51.6 49.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.758 HD12 ' O ' ' A' ' 16' ' ' VAL . 0.9 OUTLIER -54.96 -41.98 71.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 179.912 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 96.5 t -66.71 -26.08 36.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.125 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 18' ' ' ILE . 94.4 t -75.26 -56.51 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.174 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.761 ' O ' HG23 ' A' ' 27' ' ' VAL . 17.9 m -48.9 -43.57 14.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.16 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.445 HD23 ' HA ' ' A' ' 24' ' ' LEU . 13.3 mt -64.19 -51.79 62.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.849 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -45.76 -37.27 6.98 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.522 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 89.8 t -74.1 -39.74 50.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.917 0.389 . . . . 0.0 111.149 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.761 HG23 ' O ' ' A' ' 23' ' ' VAL . 11.9 t -68.4 -41.63 83.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.161 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -63.51 -47.18 82.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.857 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.81 -38.26 96.22 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.466 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 35.7 mt -60.21 -49.77 82.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.805 0.336 . . . . 0.0 111.128 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.432 ' HA ' ' HG2' ' A' ' 34' ' ' ARG . 11.0 mt -57.11 -53.49 57.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.449 HG23 ' OE1' ' B' ' 150' ' ' GLU . 32.8 mt -51.06 -38.41 18.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 179.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.3 -39.59 94.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.432 ' HG2' ' HA ' ' A' ' 31' ' ' LEU . 2.8 ptm180 -77.42 -15.06 59.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.405 ' HD3' ' HA ' ' A' ' 32' ' ' ILE . 0.0 OUTLIER -91.19 -36.73 13.77 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.837 -179.904 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -56.33 -27.77 56.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -112.5 22.98 14.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.3 ptmm? -69.6 151.72 45.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.943 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.7 mp -55.37 -32.93 30.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.257 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 14.5 mmt-85 -95.28 22.0 7.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.818 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.7 ptmt -53.11 -36.43 60.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -52.77 -35.62 56.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.954 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 98.0 m -53.2 -53.17 54.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.1 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.666 ' HG3' HD13 ' B' ' 147' ' ' LEU . 0.0 OUTLIER -59.04 -46.59 87.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 179.891 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -51.94 -38.82 57.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 25.3 tpt180 -82.18 -23.32 35.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.643 HD13 ' HG3' ' B' ' 144' ' ' MET . 20.1 mt -69.35 -24.43 63.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.972 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.405 HD11 HG22 ' B' ' 151' ' ' THR . 4.3 mm? -58.15 -22.89 53.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -80.48 -17.69 50.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -65.74 -32.25 73.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.403 HG22 HD11 ' B' ' 148' ' ' LEU . 25.6 p -51.35 -30.03 17.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.181 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -54.57 -27.04 36.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -72.17 -30.46 65.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.5 m -113.77 21.48 6.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.197 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.422 ' HB2' ' HD2' ' A' ' 56' ' ' PRO . 3.2 pt-20 -56.45 160.3 5.44 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.659 0.742 . . . . 0.0 110.883 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.422 ' HD2' ' HB2' ' A' ' 55' ' ' GLU . 53.1 Cg_endo -69.79 144.23 53.2 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.671 2.247 . . . . 0.0 112.356 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 86.5 mt -141.08 176.58 8.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.392 0 CA-C-O 119.145 -0.808 . . . . 0.0 112.555 179.964 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.734 0.302 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -149.58 164.93 33.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.931 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 14.0 tp60 -104.58 4.03 32.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.998 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 10.2 mpt_? -92.46 48.47 1.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -144.84 38.58 1.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.064 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 11.9 m -80.08 114.56 47.62 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.695 0.76 . . . . 0.0 110.89 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -44.39 2.1 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.631 2.221 . . . . 0.0 112.379 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . 0.403 ' O ' HG13 ' B' ' 112' ' ' ILE . 3.6 mm? -61.73 -54.7 38.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 109' ' ' THR . . . . . 0.729 ' HA ' HD12 ' B' ' 112' ' ' ILE . 36.6 p -52.54 -33.63 46.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.171 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 46.9 m -70.81 -34.16 71.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.871 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 111' ' ' ILE . . . . . 0.669 ' O ' HG23 ' B' ' 115' ' ' VAL . 36.9 mm -75.3 -37.58 39.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.123 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 112' ' ' ILE . . . . . 0.941 HG23 HG23 ' A' ' 12' ' ' ILE . 28.2 mt -59.96 -57.3 12.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.062 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 16.1 t -58.04 -33.47 69.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -71.85 -42.46 66.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.132 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 115' ' ' VAL . . . . . 0.669 HG23 ' O ' ' B' ' 111' ' ' ILE . 69.7 t -62.89 -56.63 16.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.1 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 116' ' ' VAL . . . . . 0.906 HG13 HG13 ' A' ' 16' ' ' VAL . 4.7 t -49.14 -51.07 14.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.156 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -48.93 -56.56 9.83 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.487 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 118' ' ' ILE . . . . . 0.596 ' O ' HG23 ' B' ' 122' ' ' VAL . 56.9 mt -61.09 -46.27 96.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.872 0.367 . . . . 0.0 111.119 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 119' ' ' LEU . . . . . 0.469 ' CD1' HG12 ' B' ' 115' ' ' VAL . 79.4 mt -51.02 -51.23 55.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.025 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . 0.767 HD12 ' O ' ' B' ' 116' ' ' VAL . 0.8 OUTLIER -54.47 -42.74 71.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.894 179.905 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 98.4 t -66.49 -26.21 37.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.106 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 122' ' ' VAL . . . . . 0.596 HG23 ' O ' ' B' ' 118' ' ' ILE . 87.4 t -76.07 -55.97 9.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.052 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 123' ' ' VAL . . . . . 0.756 ' O ' HG23 ' B' ' 127' ' ' VAL . 17.4 m -48.6 -43.45 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.102 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . 0.427 ' N ' HG23 ' B' ' 123' ' ' VAL . 13.0 mt -64.16 -51.65 62.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 125' ' ' GLY . . . . . . . . . . . . . . . -45.95 -37.37 7.41 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.512 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 90.5 t -74.0 -39.47 51.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.838 0.351 . . . . 0.0 111.097 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 127' ' ' VAL . . . . . 0.756 HG23 ' O ' ' B' ' 123' ' ' VAL . 12.5 t -68.69 -41.25 82.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.096 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 128' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -63.7 -47.46 81.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.831 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 129' ' ' GLY . . . . . . . . . . . . . . . -62.56 -38.75 96.89 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.485 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 38.6 mt -59.97 -49.25 84.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.82 0.343 . . . . 0.0 111.124 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 131' ' ' LEU . . . . . 0.435 ' HA ' ' HG2' ' B' ' 134' ' ' ARG . 10.7 mt -57.27 -53.9 52.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 28.9 mt -50.57 -38.59 16.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.125 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.62 -39.77 94.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 134' ' ' ARG . . . . . 0.435 ' HG2' ' HA ' ' B' ' 131' ' ' LEU . 2.7 ptm180 -78.42 -12.13 59.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.899 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 -93.81 -34.82 13.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 -58.87 -37.51 76.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.974 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -93.08 172.8 8.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.945 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.67 168.03 1.32 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 139' ' ' ILE . . . . . 0.747 HG22 ' H ' ' B' ' 141' ' ' LYS . 30.3 mt -64.88 124.14 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.121 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 140' ' ' ARG . . . . . . . . . . . . . 22.9 mtt-85 -93.58 19.34 8.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 141' ' ' LYS . . . . . 0.747 ' H ' HG22 ' B' ' 139' ' ' ILE . 19.1 mmtp 62.5 37.12 13.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 142' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -107.57 -29.07 9.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 143' ' ' THR . . . . . . . . . . . . . 95.0 m -52.55 -53.94 39.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.111 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 144' ' ' MET . . . . . 0.643 ' HG3' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -58.83 -47.15 85.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.84 179.917 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -52.23 -38.7 58.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 146' ' ' ARG . . . . . . . . . . . . . 25.4 tpt180 -82.03 -23.37 35.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 147' ' ' LEU . . . . . 0.666 HD13 ' HG3' ' A' ' 44' ' ' MET . 19.4 mt -69.35 -24.56 63.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 148' ' ' LEU . . . . . 0.403 HD11 HG22 ' A' ' 51' ' ' THR . 4.3 mm? -58.15 -22.98 53.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.967 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -80.42 -17.76 50.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.978 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 150' ' ' GLU . . . . . 0.449 ' OE1' HG23 ' A' ' 32' ' ' ILE . 8.0 mm-40 -65.74 -32.24 73.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 151' ' ' THR . . . . . 0.405 HG22 HD11 ' A' ' 48' ' ' LEU . 26.3 p -51.46 -30.23 19.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.138 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -54.64 -27.28 38.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -72.32 -30.45 64.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 3.4 m -113.73 22.13 5.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.153 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 155' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -122.73 68.19 32.16 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.633 0.73 . . . . 0.0 110.898 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 156' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 170.48 16.5 Favored 'Trans proline' 0 N--CA 1.464 -0.238 0 C-N-CA 122.735 2.29 . . . . 0.0 112.362 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 157' ' ' LEU . . . . . 0.412 ' C ' HD23 ' B' ' 157' ' ' LEU . 9.1 tt -60.88 -42.16 97.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.966 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 158' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.488 179.892 . . . . . . . . 0 0 . 1 stop_ save_