data_2n10_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 2n10 _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 ' 15' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 16' ' ' SER . 13.7 mt . . . . . 0 N--CA 1.461 0.098 0 CA-C-O 120.774 0.321 . . . . 0.0 110.431 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 15' ' ' LEU . 2.0 t -39.03 -50.05 1.77 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.952 0.406 . . . . 0.0 110.415 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 44.2 tptt -164.31 128.31 2.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.787 179.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.51 ' CG ' ' OE2' ' A' ' 22' ' ' GLU . 2.9 m0 -121.47 165.36 15.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.969 -179.754 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.528 ' H ' ' CD ' ' A' ' 22' ' ' GLU . 19.3 mmtm -97.82 164.13 12.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.196 179.655 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -66.9 -41.88 86.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.937 0.398 . . . . 0.0 110.561 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.21 -56.07 26.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.177 -179.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.528 ' CD ' ' H ' ' A' ' 19' ' ' LYS . 14.5 pt-20 -64.85 -38.54 91.32 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.973 -179.479 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.4 mt -54.44 -56.24 20.72 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.308 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 55.5 ttt180 -62.67 -49.6 74.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.802 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.468 ' O ' ' OG1' ' A' ' 29' ' ' THR . 14.5 t70 -55.86 -54.06 49.16 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.746 -179.754 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 22' ' ' GLU . 6.7 m -58.29 -35.87 72.48 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.374 -179.581 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -77.5 -21.65 14.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 120.492 -0.483 . . . . 0.0 110.809 -179.448 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.405 ' ND2' ' CG2' ' A' ' 29' ' ' THR . 0.0 OUTLIER -105.59 -2.96 22.88 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.064 -179.653 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.468 ' OG1' ' O ' ' A' ' 25' ' ' ASP . 35.3 p -116.78 -48.17 2.68 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.746 0.308 . . . . 0.0 110.477 179.595 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.85 168.68 11.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.175 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 48.2 t -158.44 123.78 4.39 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.903 0.382 . . . . 0.0 110.854 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -174.59 132.73 0.36 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.11 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.411 HG13 ' H ' ' A' ' 34' ' ' GLU . 1.7 pt -38.38 -39.94 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.85 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.411 ' H ' HG13 ' A' ' 33' ' ' ILE . 2.3 mt-10 -74.41 -52.08 13.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.155 -179.72 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.85 -52.54 60.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.826 0.346 . . . . 0.0 110.246 -179.627 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 25.9 mt -65.22 -51.81 58.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.931 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.03 -49.19 66.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.881 0.372 . . . . 0.0 110.295 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.57 -48.8 75.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.48 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 12.7 t -53.36 -49.43 67.18 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.268 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 47.9 mtp180 -59.57 -45.12 92.77 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.551 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -54.72 -44.19 73.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.392 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.514 ' N ' ' OE1' ' A' ' 42' ' ' GLU . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.464 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.466 ' O ' ' C ' ' A' ' 16' ' ' SER . 10.5 mt . . . . . 0 CA--C 1.521 -0.17 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.48 ' H ' ' HG ' ' A' ' 16' ' ' SER . 0.7 OUTLIER -32.75 -43.39 0.09 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.499 -179.742 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.4 tptm -164.16 127.71 2.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.902 178.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.53 ' CG ' ' OE2' ' A' ' 22' ' ' GLU . 2.9 m0 -123.74 161.71 24.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.868 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.9 mptt -93.94 158.03 15.83 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -61.17 -40.4 93.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.887 0.375 . . . . 0.0 110.873 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.94 -62.21 1.85 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.308 -179.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.53 ' OE2' ' CG ' ' A' ' 18' ' ' TRP . 22.5 pt-20 -60.58 -37.59 81.83 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.088 -179.266 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.8 mt -54.52 -56.07 22.68 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.35 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -62.15 -51.2 68.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.835 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.459 ' O ' ' OG1' ' A' ' 29' ' ' THR . 13.2 t70 -55.65 -54.1 48.32 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.956 -179.595 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.436 ' OG1' ' O ' ' A' ' 22' ' ' GLU . 6.8 m -57.92 -36.21 72.15 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.347 -179.373 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -77.79 -21.5 13.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.815 -179.426 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.408 ' ND2' ' CG2' ' A' ' 29' ' ' THR . 0.0 OUTLIER -105.03 -2.84 23.92 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.044 -179.791 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.493 ' HG1' ' H ' ' A' ' 30' ' ' SER . 35.3 p -116.93 -48.15 2.67 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.833 0.349 . . . . 0.0 110.444 179.688 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.493 ' H ' ' HG1' ' A' ' 29' ' ' THR . 0.4 OUTLIER -92.02 167.74 11.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.247 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 45.3 t -158.34 123.95 4.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.81 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -174.55 134.34 0.39 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.073 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.417 HG13 ' H ' ' A' ' 34' ' ' GLU . 1.6 pt -38.74 -41.27 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.705 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.417 ' H ' HG13 ' A' ' 33' ' ' ILE . 2.3 mt-10 -74.9 -51.77 12.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.099 -179.566 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.86 -52.38 60.6 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.272 -179.649 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 32.9 mt -65.36 -51.94 57.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.939 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.99 -51.76 60.53 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.289 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.03 -47.42 85.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.298 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 11.6 t -54.22 -46.9 72.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.172 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 31.4 ttm180 -59.47 -46.55 88.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.373 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -54.77 -44.95 74.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.295 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.352 179.741 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 16' ' ' SER . 15.1 mt . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.674 0.273 . . . . 0.0 110.283 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 15' ' ' LEU . 1.6 t -38.59 -50.37 1.58 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.445 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -163.53 127.94 2.87 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.855 179.26 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 3.1 m0 -123.22 152.28 41.42 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.994 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.518 ' CB ' ' HZ1' ' A' ' 19' ' ' LYS . 0.1 OUTLIER -86.76 160.27 18.86 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 179.631 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -63.76 -37.3 86.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.964 0.412 . . . . 0.0 110.346 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.9 -59.5 5.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.159 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.428 ' O ' ' OG1' ' A' ' 26' ' ' THR . 14.9 pt-20 -62.12 -37.72 86.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.98 -179.521 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.7 mt -55.38 -56.04 24.7 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.247 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 57.8 ttt180 -62.01 -50.18 73.07 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.796 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.465 ' O ' ' OG1' ' A' ' 29' ' ' THR . 20.1 t70 -56.25 -54.14 48.88 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 -179.658 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.428 ' OG1' ' O ' ' A' ' 22' ' ' GLU . 6.6 m -57.88 -35.88 71.6 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.47 -179.552 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -77.74 -21.76 13.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 C-N-CA 120.476 -0.49 . . . . 0.0 110.811 -179.517 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.415 ' ND2' ' C ' ' A' ' 28' ' ' ASN . 0.0 OUTLIER -105.04 -2.56 24.27 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.01 -179.756 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.465 ' OG1' ' O ' ' A' ' 25' ' ' ASP . 34.8 p -117.32 -48.39 2.62 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.872 0.368 . . . . 0.0 110.387 179.669 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.56 168.45 11.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.191 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 10.4 t -158.4 123.84 4.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.772 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 33' ' ' ILE . 4.9 t0 -174.47 132.07 0.37 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.076 179.675 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 32' ' ' ASP . 1.7 pt -38.55 -38.95 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.725 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.403 ' H ' HG13 ' A' ' 33' ' ' ILE . 2.3 mt-10 -75.1 -51.64 12.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.029 -179.68 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.96 -52.41 60.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.781 0.324 . . . . 0.0 110.238 -179.758 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.3 mt -65.49 -50.86 63.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.823 -179.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.85 -47.5 67.73 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.155 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.79 -44.67 85.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.225 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 13.2 t -56.59 -50.7 71.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.1 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 21.2 mtp85 -58.12 -46.98 84.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.373 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -54.79 -41.29 70.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.384 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.402 179.977 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 16' ' ' SER . 15.0 mt . . . . . 0 N--CA 1.461 0.09 0 N-CA-C 110.097 -0.335 . . . . 0.0 110.097 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 15' ' ' LEU . 1.7 t -35.93 -52.11 0.73 Allowed 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.646 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 43.3 tptt -164.49 128.33 2.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.891 179.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.532 ' CG ' ' OE2' ' A' ' 22' ' ' GLU . 3.3 m0 -121.53 164.83 16.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.926 -179.704 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.524 ' H ' ' CD ' ' A' ' 22' ' ' GLU . 32.1 mmtm -99.81 163.25 12.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.811 0.338 . . . . 0.0 110.409 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -65.23 -39.3 92.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.787 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.37 -57.83 11.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.135 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.532 ' OE2' ' CG ' ' A' ' 18' ' ' TRP . 11.7 pt-20 -63.32 -36.74 84.69 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.869 -179.482 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.0 mt -56.48 -56.02 26.45 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.31 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 58.9 ttt180 -61.31 -50.49 72.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.775 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.464 ' O ' ' OG1' ' A' ' 29' ' ' THR . 14.2 t70 -55.79 -54.17 47.76 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 -179.632 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.437 ' OG1' ' O ' ' A' ' 22' ' ' GLU . 6.8 m -58.24 -35.42 71.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.403 -179.538 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -78.03 -21.59 13.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.769 -179.475 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.408 ' ND2' ' C ' ' A' ' 28' ' ' ASN . 0.0 OUTLIER -105.71 -2.67 23.03 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.983 -179.665 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.464 ' OG1' ' O ' ' A' ' 25' ' ' ASP . 35.8 p -116.88 -48.48 2.66 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.862 0.363 . . . . 0.0 110.39 179.614 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.81 168.58 11.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.114 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 24.5 t -158.41 123.74 4.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.979 0.418 . . . . 0.0 110.779 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 33' ' ' ILE . 1.0 OUTLIER -174.74 131.32 0.33 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.014 179.689 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.403 ' C ' ' O ' ' A' ' 32' ' ' ASP . 1.8 pt -38.64 -38.29 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.659 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -75.52 -51.83 12.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.916 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.05 -52.44 60.86 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.077 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 25.9 mt -64.57 -51.03 64.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.732 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.89 -49.45 65.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.932 0.396 . . . . 0.0 110.005 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.424 ' O ' ' OE2' ' A' ' 42' ' ' GLU . . . -63.56 -48.13 78.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.199 179.666 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 11.3 t -55.2 -45.71 75.85 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.19 179.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 44.3 ttt85 -59.85 -46.0 90.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.393 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 -54.75 -50.91 67.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.327 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.491 ' N ' ' OE1' ' A' ' 42' ' ' GLU . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.306 179.624 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.7 mt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.649 0.261 . . . . 0.0 110.387 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.6 t -39.99 -49.39 2.49 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.938 0.399 . . . . 0.0 110.292 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.4 tmtt? -164.44 128.07 2.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.792 179.294 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.524 ' CG ' ' OE2' ' A' ' 22' ' ' GLU . 2.7 m0 -121.23 166.28 14.23 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.941 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.7 mmtm -97.38 159.29 15.01 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 179.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.565 ' CD1' ' N ' ' A' ' 21' ' ' ALA . 48.8 p90 -63.38 -39.6 94.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.943 0.402 . . . . 0.0 110.641 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.565 ' N ' ' CD1' ' A' ' 20' ' ' TYR . . . -58.14 -60.14 4.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.17 -179.642 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.524 ' OE2' ' CG ' ' A' ' 18' ' ' TRP . 22.5 pt-20 -61.59 -37.01 82.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.928 -179.41 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.5 mt -55.46 -56.01 25.11 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.262 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 64.9 ttt180 -61.53 -50.02 74.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.783 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.458 ' O ' ' OG1' ' A' ' 29' ' ' THR . 21.8 t70 -56.17 -54.06 49.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.994 -179.688 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.429 ' OG1' ' O ' ' A' ' 22' ' ' GLU . 6.1 m -58.18 -35.51 71.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.403 -179.563 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -77.92 -22.07 13.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 C-N-CA 120.58 -0.448 . . . . 0.0 110.756 -179.47 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.405 ' ND2' ' CG2' ' A' ' 29' ' ' THR . 0.0 OUTLIER -104.18 -3.78 23.95 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.929 -179.645 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.458 ' OG1' ' O ' ' A' ' 25' ' ' ASP . 34.2 p -115.8 -48.27 2.76 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.895 0.379 . . . . 0.0 110.388 179.751 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.0 168.05 11.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.251 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 42.6 t -158.36 123.89 4.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.729 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 33' ' ' ILE . 1.9 t70 -174.56 132.79 0.36 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.015 179.693 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.411 ' C ' ' O ' ' A' ' 32' ' ' ASP . 1.7 pt -37.91 -40.12 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.731 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.409 ' H ' HG13 ' A' ' 33' ' ' ILE . 2.3 mt-10 -74.71 -52.84 10.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.016 -179.661 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.87 -52.65 59.78 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.195 -179.705 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 33.0 mt -64.22 -52.99 56.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.966 -179.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.93 -51.93 59.6 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.325 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.48 -46.35 89.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.465 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 12.3 t -54.69 -51.98 63.82 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.304 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 65.4 mtp85 -55.65 -46.5 77.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.444 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -54.75 -44.24 73.43 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.285 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.321 179.841 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.9 mt . . . . . 0 N--CA 1.46 0.071 0 CA-C-O 120.72 0.295 . . . . 0.0 110.276 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.9 t -39.19 -50.68 1.93 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.322 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.8 tmtt? -164.45 128.11 2.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.785 179.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.528 ' CG ' ' OE2' ' A' ' 22' ' ' GLU . 3.3 m0 -121.51 165.84 15.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.101 -0.499 . . . . 0.0 109.801 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.533 ' H ' ' CD ' ' A' ' 22' ' ' GLU . 23.4 mmtm -100.88 163.71 12.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.778 0.323 . . . . 0.0 110.396 179.788 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.435 ' CG ' ' N ' ' A' ' 21' ' ' ALA . 41.1 p90 -65.24 -39.85 93.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.715 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.435 ' N ' ' CG ' ' A' ' 20' ' ' TYR . . . -59.41 -57.45 12.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.143 -179.684 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.533 ' CD ' ' H ' ' A' ' 19' ' ' LYS . 11.6 pt-20 -63.8 -36.17 83.02 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.93 -179.419 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.4 mt -57.13 -55.93 28.3 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.324 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 -61.54 -50.63 71.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.735 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.459 ' O ' ' OG1' ' A' ' 29' ' ' THR . 14.6 t70 -55.62 -54.06 48.86 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.953 -179.606 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.434 ' OG1' ' O ' ' A' ' 22' ' ' GLU . 7.7 m -58.38 -35.56 72.19 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.459 -179.442 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -78.31 -21.45 13.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.506 -0.478 . . . . 0.0 110.803 -179.422 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.413 ' ND2' ' C ' ' A' ' 28' ' ' ASN . 0.0 OUTLIER -104.26 -3.72 23.92 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.806 -179.855 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.459 ' OG1' ' O ' ' A' ' 25' ' ' ASP . 34.2 p -115.74 -48.79 2.75 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.866 0.365 . . . . 0.0 110.293 179.62 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.57 168.6 11.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.165 179.671 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.8 t -158.32 123.83 4.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.968 0.413 . . . . 0.0 110.895 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 33' ' ' ILE . 1.8 t70 -174.55 132.14 0.36 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.025 179.684 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.409 ' C ' ' O ' ' A' ' 32' ' ' ASP . 1.8 pt -38.16 -39.62 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.772 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.403 ' H ' HG13 ' A' ' 33' ' ' ILE . 2.1 mt-10 -74.83 -51.47 13.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.112 -179.626 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.95 -52.46 60.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.815 0.341 . . . . 0.0 110.129 -179.709 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 22.8 mt -65.42 -52.05 56.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.911 -179.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.83 -49.93 64.72 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.183 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.6 -42.85 99.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.302 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 18.5 t -56.84 -52.32 65.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.145 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 87.4 mtt180 -56.25 -46.43 79.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.293 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -54.64 -43.59 72.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.293 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.452 179.832 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.8 mt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.664 0.269 . . . . 0.0 110.377 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.6 t -39.71 -49.88 2.3 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.922 0.391 . . . . 0.0 110.347 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -164.22 128.21 2.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.642 179.118 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.464 ' CD2' ' OE2' ' A' ' 22' ' ' GLU . 3.1 m0 -122.17 159.93 26.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.019 -179.665 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.512 ' H ' ' CD ' ' A' ' 22' ' ' GLU . 0.1 OUTLIER -94.57 164.21 13.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.296 179.839 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.447 ' CD1' ' N ' ' A' ' 21' ' ' ALA . 18.0 p90 -66.99 -38.8 86.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.566 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.447 ' N ' ' CD1' ' A' ' 20' ' ' TYR . . . -58.97 -56.27 24.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.112 -179.734 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.512 ' CD ' ' H ' ' A' ' 19' ' ' LYS . 12.3 pt-20 -64.74 -38.72 91.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.962 -179.654 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.3 mt -54.84 -56.21 21.87 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.264 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 69.9 ttt-85 -61.81 -49.73 75.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.782 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.456 ' O ' ' OG1' ' A' ' 29' ' ' THR . 25.1 t70 -56.59 -53.91 52.07 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.84 -179.632 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.427 ' OG1' ' O ' ' A' ' 22' ' ' GLU . 6.3 m -58.16 -35.62 71.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.336 -179.509 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -77.54 -22.64 14.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.774 -179.474 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.404 ' ND2' ' CG2' ' A' ' 29' ' ' THR . 0.0 OUTLIER -103.39 -4.12 24.55 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.9 -179.721 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.492 ' HG1' ' H ' ' A' ' 30' ' ' SER . 34.6 p -115.59 -48.24 2.78 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.836 0.351 . . . . 0.0 110.372 179.615 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.492 ' H ' ' HG1' ' A' ' 29' ' ' THR . 0.4 OUTLIER -93.38 168.83 10.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.205 179.785 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 43.9 t -158.33 123.96 4.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.956 0.408 . . . . 0.0 110.853 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 33' ' ' ILE . 3.5 t0 -174.61 131.73 0.35 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.05 179.689 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.413 ' C ' ' O ' ' A' ' 32' ' ' ASP . 1.8 pt -37.69 -39.7 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.844 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.408 ' H ' HG13 ' A' ' 33' ' ' ILE . 2.3 mt-10 -74.75 -52.21 12.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.063 -179.73 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.95 -52.55 60.3 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.129 -179.705 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 27.3 mt -64.32 -51.75 61.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.818 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.03 -52.33 58.8 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.383 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.34 -45.86 91.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.325 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 49.5 t -53.9 -50.23 66.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.263 179.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 66.1 mtt85 -58.23 -46.34 86.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.319 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -54.65 -40.9 69.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.303 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.418 179.837 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.2 mt . . . . . 0 N--CA 1.461 0.077 0 CA-C-O 120.725 0.298 . . . . 0.0 110.431 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.8 t -40.28 -50.0 2.74 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.945 0.402 . . . . 0.0 110.408 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.21 128.21 2.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.74 179.358 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.522 ' CG ' ' OE2' ' A' ' 22' ' ' GLU . 2.8 m0 -121.33 167.34 12.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.09 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.518 ' H ' ' CD ' ' A' ' 22' ' ' GLU . 46.5 mmtt -99.97 165.33 11.59 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.809 0.337 . . . . 0.0 110.397 179.745 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -67.36 -43.4 81.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.659 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.83 -55.11 36.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.181 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.522 ' OE2' ' CG ' ' A' ' 18' ' ' TRP . 14.7 pt-20 -66.41 -38.78 88.24 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.14 -179.403 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.0 mt -54.24 -56.32 19.52 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.212 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 58.6 ttt180 -63.12 -49.2 75.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.712 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.466 ' O ' ' OG1' ' A' ' 29' ' ' THR . 23.7 t70 -55.74 -53.94 50.42 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.707 -179.766 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' A' ' 22' ' ' GLU . 5.5 m -58.85 -35.54 73.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.316 -179.566 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -78.12 -20.65 13.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 C-N-CA 120.427 -0.509 . . . . 0.0 110.89 -179.423 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.408 ' ND2' ' C ' ' A' ' 28' ' ' ASN . 0.0 OUTLIER -105.65 -3.84 21.75 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.976 -179.869 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.466 ' OG1' ' O ' ' A' ' 25' ' ' ASP . 34.5 p -115.55 -48.7 2.77 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.819 0.342 . . . . 0.0 110.357 179.661 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.42 168.74 11.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.171 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 44.3 t -158.37 123.84 4.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.863 0.363 . . . . 0.0 110.834 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 33' ' ' ILE . 1.7 t70 -174.58 132.85 0.36 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.099 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 32' ' ' ASP . 1.7 pt -38.59 -39.7 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.826 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.405 ' H ' HG13 ' A' ' 33' ' ' ILE . 2.5 mt-10 -74.9 -51.95 12.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.046 -179.526 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.69 -52.13 61.01 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.182 -179.54 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.2 mt -65.49 -52.94 49.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.84 -179.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.02 -47.41 68.35 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.338 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.64 -42.87 95.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.253 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 16.7 t -57.27 -52.28 65.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.007 0.432 . . . . 0.0 110.148 179.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.23 -40.66 86.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.299 179.751 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -61.11 -42.7 99.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.419 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.436 179.905 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.0 mt . . . . . 0 C--O 1.232 0.151 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.2 t -39.45 -50.64 2.13 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.932 0.396 . . . . 0.0 110.474 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.37 128.11 2.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.715 179.334 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.517 ' CG ' ' OE2' ' A' ' 22' ' ' GLU . 3.0 m0 -121.39 167.21 13.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.938 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.498 ' H ' ' CD ' ' A' ' 22' ' ' GLU . 25.0 mmtp -100.31 162.68 12.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.356 179.694 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -65.48 -40.03 92.63 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.566 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.41 -58.27 9.23 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.094 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.517 ' OE2' ' CG ' ' A' ' 18' ' ' TRP . 15.4 pt-20 -63.17 -37.52 87.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.937 -179.43 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.9 mt -55.36 -56.03 24.78 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.32 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 47.2 ttp180 -61.91 -50.16 73.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.859 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.466 ' O ' ' OG1' ' A' ' 29' ' ' THR . 13.0 t70 -56.04 -54.15 48.37 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.768 -179.667 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.429 ' OG1' ' O ' ' A' ' 22' ' ' GLU . 6.5 m -58.02 -35.77 71.74 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.48 -179.472 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -78.25 -21.37 13.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 C-N-CA 120.416 -0.514 . . . . 0.0 110.761 -179.358 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.411 ' ND2' ' CG2' ' A' ' 29' ' ' THR . 0.0 OUTLIER -105.0 -3.13 23.63 Favored 'General case' 0 N--CA 1.462 0.172 0 C-N-CA 121.013 -0.275 . . . . 0.0 110.987 -179.841 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.466 ' OG1' ' O ' ' A' ' 25' ' ' ASP . 34.9 p -116.58 -48.3 2.69 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.805 0.336 . . . . 0.0 110.348 179.669 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.41 168.76 11.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.14 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.0 t -158.45 123.99 4.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.764 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 33' ' ' ILE . 2.0 t70 -174.6 132.54 0.36 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.01 179.647 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.405 ' C ' ' O ' ' A' ' 32' ' ' ASP . 1.7 pt -38.45 -39.55 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.762 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.402 ' H ' HG13 ' A' ' 33' ' ' ILE . 2.4 mt-10 -74.97 -51.67 13.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.057 -179.633 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.81 -52.4 60.44 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.223 -179.708 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.9 mt -65.41 -52.47 53.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.862 -179.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.9 -49.07 66.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.874 0.368 . . . . 0.0 110.227 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.16 -44.91 94.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.516 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 14.0 t -55.03 -52.34 63.47 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.272 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 31.5 mtp85 -57.19 -46.19 83.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.307 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -56.98 -40.41 76.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.417 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.44 179.931 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.7 mt . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.73 0.3 . . . . 0.0 110.265 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 t -39.53 -50.3 2.18 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.38 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -164.42 128.11 2.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.786 179.376 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 3.2 m0 -121.42 165.58 15.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.893 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.8 mmtp -100.74 152.77 20.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.761 0.315 . . . . 0.0 110.338 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -55.7 -38.7 70.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.646 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.91 -63.1 1.42 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.222 -179.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.45 ' O ' ' OG1' ' A' ' 26' ' ' THR . 16.5 pt-20 -59.84 -33.38 71.71 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.924 -179.363 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.6 mt -58.24 -55.99 27.84 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.181 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -61.19 -50.25 73.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.788 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.463 ' O ' ' OG1' ' A' ' 29' ' ' THR . 29.1 t70 -56.17 -54.13 48.83 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.028 -179.586 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.45 ' OG1' ' O ' ' A' ' 22' ' ' GLU . 7.5 m -58.27 -35.41 71.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.422 -179.512 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -78.03 -22.1 13.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 C-N-CA 120.471 -0.492 . . . . 0.0 110.765 -179.409 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.407 ' ND2' ' CG2' ' A' ' 29' ' ' THR . 0.0 OUTLIER -104.22 -3.68 24.01 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.958 -179.668 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.463 ' OG1' ' O ' ' A' ' 25' ' ' ASP . 34.4 p -115.84 -48.56 2.75 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.938 0.399 . . . . 0.0 110.367 179.737 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.31 168.54 11.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.148 179.692 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 11.6 t -158.23 123.85 4.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.898 0.38 . . . . 0.0 110.831 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 33' ' ' ILE . 1.7 t70 -174.61 131.52 0.35 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.018 179.635 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.411 ' C ' ' O ' ' A' ' 32' ' ' ASP . 1.8 pt -38.36 -38.72 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.77 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -75.26 -51.86 12.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.986 -179.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.79 -52.59 59.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.945 0.402 . . . . 0.0 110.151 -179.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.7 mt -64.88 -52.12 58.26 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.965 -179.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.81 -49.16 66.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.968 0.414 . . . . 0.0 110.18 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.26 -44.47 95.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.268 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 14.4 t -56.59 -51.47 68.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.18 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 50.4 ttt180 -55.6 -50.02 71.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.315 179.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -54.66 -46.72 74.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.251 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.247 179.652 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.9 mt . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.666 0.27 . . . . 0.0 110.442 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.8 t -40.3 -50.09 2.77 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.959 0.409 . . . . 0.0 110.254 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -164.56 128.21 2.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.541 179.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 3.3 m0 -121.29 165.7 15.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.922 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.2 mmtp -101.11 153.17 19.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.395 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 58.6 t80 -55.89 -38.55 70.34 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.663 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.01 -63.18 1.4 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.153 -179.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.45 ' O ' ' OG1' ' A' ' 26' ' ' THR . 16.2 pt-20 -59.83 -33.65 72.05 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.866 -0.334 . . . . 0.0 110.947 -179.395 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.5 mt -58.11 -56.03 27.29 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.295 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 55.2 ttp180 -61.43 -50.12 74.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.774 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.457 ' O ' ' OG1' ' A' ' 29' ' ' THR . 18.9 t70 -56.13 -54.08 49.41 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.972 -179.62 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.45 ' OG1' ' O ' ' A' ' 22' ' ' GLU . 8.7 m -58.39 -35.43 72.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.347 -179.534 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -77.68 -22.2 13.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 C-N-CA 120.591 -0.443 . . . . 0.0 110.8 -179.472 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.405 ' ND2' ' CG2' ' A' ' 29' ' ' THR . 0.0 OUTLIER -104.31 -3.63 23.96 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.007 -179.705 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.457 ' OG1' ' O ' ' A' ' 25' ' ' ASP . 35.4 p -116.08 -48.14 2.74 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.862 0.363 . . . . 0.0 110.472 179.69 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.44 167.94 11.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.23 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 49.2 t -158.25 123.84 4.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.96 0.409 . . . . 0.0 110.76 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -174.59 132.77 0.36 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.044 179.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.407 HG13 ' H ' ' A' ' 34' ' ' GLU . 1.7 pt -38.79 -39.78 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.702 -179.783 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.407 ' H ' HG13 ' A' ' 33' ' ' ILE . 2.4 mt-10 -75.19 -51.75 12.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.101 -179.611 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.77 -52.32 60.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.871 0.367 . . . . 0.0 110.191 -179.745 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 30.3 mt -65.43 -52.01 56.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.834 -179.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.86 -49.32 66.04 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.236 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.44 -46.23 89.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.3 179.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 11.1 t -55.62 -51.8 65.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.157 179.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 73.7 ttt-85 -55.12 -48.26 73.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.45 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 40.5 mm-40 -54.6 -47.32 73.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.579 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.566 -179.978 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 16' ' ' SER . 20.3 mt . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.718 0.294 . . . . 0.0 110.273 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 15' ' ' LEU . 1.9 t -38.97 -51.27 1.8 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.365 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -164.37 128.03 2.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.875 179.344 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.534 ' CG ' ' OE2' ' A' ' 22' ' ' GLU . 2.8 m0 -122.02 161.21 23.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.849 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.0 mptt -93.83 161.94 14.12 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.863 0.363 . . . . 0.0 110.194 179.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.601 ' CD1' ' N ' ' A' ' 21' ' ' ALA . 38.9 p90 -64.63 -40.83 96.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.724 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.601 ' N ' ' CD1' ' A' ' 20' ' ' TYR . . . -56.34 -58.91 5.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.201 -179.518 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.534 ' OE2' ' CG ' ' A' ' 18' ' ' TRP . 20.7 pt-20 -63.57 -38.26 90.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.076 -179.344 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.5 mt -53.69 -56.22 19.26 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.226 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.7 ttt-85 -62.86 -49.13 76.1 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.791 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.466 ' O ' ' OG1' ' A' ' 29' ' ' THR . 13.0 t70 -56.19 -53.92 51.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 -179.776 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.409 ' OG1' ' O ' ' A' ' 22' ' ' GLU . 5.3 m -58.38 -35.7 72.38 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.344 -179.661 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -77.99 -21.14 13.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.744 -179.473 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.414 ' ND2' ' C ' ' A' ' 28' ' ' ASN . 0.0 OUTLIER -105.58 -3.23 22.59 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.081 -179.731 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.466 ' OG1' ' O ' ' A' ' 25' ' ' ASP . 34.0 p -116.23 -48.58 2.71 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.932 0.396 . . . . 0.0 110.32 179.716 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.456 ' H ' ' HG1' ' A' ' 29' ' ' THR . 0.4 OUTLIER -92.44 166.21 12.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.102 179.807 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 42.2 t -156.85 123.67 5.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.979 0.418 . . . . 0.0 110.693 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 33' ' ' ILE . 4.4 t0 -174.66 131.1 0.34 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.956 179.709 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.414 ' C ' ' O ' ' A' ' 32' ' ' ASP . 1.8 pt -38.07 -38.48 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.753 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -75.62 -51.78 12.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.051 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.04 -52.45 60.8 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.042 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 25.1 mt -64.84 -49.66 69.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.95 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.97 -49.49 66.03 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.109 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.3 -44.26 92.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.204 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 10.2 t -55.94 -50.11 71.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.225 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -59.0 -46.03 89.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.279 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -54.75 -41.73 70.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.239 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.411 179.848 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 16' ' ' SER . 29.5 mt . . . . . 0 N--CA 1.462 0.149 0 N-CA-C 110.132 -0.322 . . . . 0.0 110.132 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 15' ' ' LEU . 1.9 t -36.75 -51.83 0.89 Allowed 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.506 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -164.28 127.88 2.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.987 -0.552 . . . . 0.0 109.86 179.288 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.533 ' CG ' ' OE2' ' A' ' 22' ' ' GLU . 3.4 m0 -122.54 161.97 22.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 0.0 109.884 -179.688 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.533 ' H ' ' CD ' ' A' ' 22' ' ' GLU . 54.4 mmtt -97.75 164.03 12.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.911 0.386 . . . . 0.0 110.442 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 20.4 p90 -66.33 -38.04 86.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.611 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.45 -56.87 16.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.023 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.533 ' OE2' ' CG ' ' A' ' 18' ' ' TRP . 11.6 pt-20 -63.94 -37.47 87.54 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.804 -179.505 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.7 mt -56.07 -55.75 29.21 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.079 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.6 tpp85 -60.61 -51.35 69.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.77 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.482 ' O ' ' OG1' ' A' ' 29' ' ' THR . 13.8 t70 -56.08 -54.18 48.11 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.008 -179.517 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.417 ' OG1' ' O ' ' A' ' 22' ' ' GLU . 6.9 m -58.25 -35.24 71.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.569 -179.266 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -78.99 -21.24 12.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 C-N-CA 120.438 -0.505 . . . . 0.0 110.72 -179.412 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.418 ' ND2' ' C ' ' A' ' 28' ' ' ASN . 0.0 OUTLIER -105.53 -2.29 23.77 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.963 -179.778 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.482 ' OG1' ' O ' ' A' ' 25' ' ' ASP . 35.6 p -117.91 -48.34 2.56 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.816 0.341 . . . . 0.0 110.353 179.654 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.5 167.42 12.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.131 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 38.3 t -158.36 123.71 4.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.768 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 33' ' ' ILE . 2.4 t0 -174.58 131.62 0.35 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.844 -0.617 . . . . 0.0 109.954 179.71 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.409 ' C ' ' O ' ' A' ' 32' ' ' ASP . 1.8 pt -38.83 -38.47 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.643 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -75.5 -51.75 12.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.935 -179.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.06 -52.67 60.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.887 0.375 . . . . 0.0 110.199 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.3 mt -64.62 -50.23 67.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.654 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.03 -45.55 68.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.979 0.418 . . . . 0.0 110.004 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.27 -40.6 81.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.239 179.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 8.9 t -60.37 -50.58 73.04 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.157 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 58.8 mtt-85 -58.93 -49.85 76.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.091 179.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -59.69 -35.72 75.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.189 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 . . . . . 0 N--CA 1.451 -0.407 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.258 179.712 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 16' ' ' SER . 14.0 mt . . . . . 0 C--O 1.232 0.133 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 15' ' ' LEU . 1.7 t -36.56 -51.18 0.83 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.663 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 39.9 tptt -164.2 128.23 2.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.939 179.378 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.536 ' CG ' ' OE2' ' A' ' 22' ' ' GLU . 2.9 m0 -122.45 159.27 27.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.955 -179.739 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.433 ' H ' ' CD ' ' A' ' 22' ' ' GLU . 7.1 mptt -92.99 163.29 13.72 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.401 179.649 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -65.21 -41.29 94.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.624 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.09 -58.06 9.51 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.206 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.536 ' OE2' ' CG ' ' A' ' 18' ' ' TRP . 15.5 pt-20 -63.99 -39.29 93.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.135 -179.365 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.5 mt -53.26 -56.01 19.96 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.56 -0.456 . . . . 0.0 110.271 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 -62.75 -50.69 70.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.819 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.464 ' O ' ' OG1' ' A' ' 29' ' ' THR . 8.4 t70 -55.41 -53.96 49.7 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.944 -179.674 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' A' ' 22' ' ' GLU . 5.3 m -58.53 -35.79 72.83 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.375 -179.479 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -78.41 -20.6 13.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 120.444 -0.503 . . . . 0.0 110.794 -179.442 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.417 ' ND2' ' C ' ' A' ' 28' ' ' ASN . 0.0 OUTLIER -105.9 -2.87 22.48 Favored 'General case' 0 N--CA 1.463 0.191 0 C-N-CA 120.956 -0.297 . . . . 0.0 111.03 -179.824 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.48 ' HG1' ' H ' ' A' ' 30' ' ' SER . 34.8 p -116.95 -48.42 2.65 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.805 0.336 . . . . 0.0 110.388 179.553 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.48 ' H ' ' HG1' ' A' ' 29' ' ' THR . 0.4 OUTLIER -91.62 168.79 11.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.172 179.855 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 42.8 t -158.43 123.74 4.38 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.93 0.395 . . . . 0.0 110.796 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 33' ' ' ILE . 2.3 t70 -174.65 131.32 0.34 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.915 179.716 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.414 ' C ' ' O ' ' A' ' 32' ' ' ASP . 1.8 pt -38.01 -38.61 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.737 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -75.28 -52.2 11.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.87 -179.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.05 -52.45 60.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.94 0.4 . . . . 0.0 110.235 -179.783 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 25.6 mt -64.58 -52.04 59.64 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.968 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.0 -50.98 63.11 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.261 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.59 -46.33 90.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.291 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 12.1 t -53.36 -49.69 66.64 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.194 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 69.8 ttt-85 -58.93 -46.46 87.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.42 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -54.8 -40.17 69.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.36 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.48 179.827 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.0 mt . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.691 0.281 . . . . 0.0 110.394 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.3 t -39.26 -49.71 1.93 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.374 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 40.3 tptt -164.14 128.16 2.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.717 179.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.528 ' CG ' ' OE2' ' A' ' 22' ' ' GLU . 2.9 m0 -122.12 165.33 16.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.782 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.448 ' H ' ' CD ' ' A' ' 22' ' ' GLU . 21.9 mmtp -96.87 158.7 15.3 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 179.517 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -63.09 -38.14 89.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.873 0.368 . . . . 0.0 110.381 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.72 -60.52 3.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.101 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.528 ' OE2' ' CG ' ' A' ' 18' ' ' TRP . 18.3 pt-20 -61.09 -35.84 78.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.724 -179.431 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.3 mt -56.48 -55.94 27.47 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.08 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 52.6 ttt85 -61.81 -50.5 72.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.701 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.464 ' O ' ' OG1' ' A' ' 29' ' ' THR . 24.8 t70 -55.86 -54.22 47.26 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.993 -179.618 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.428 ' OG1' ' O ' ' A' ' 22' ' ' GLU . 7.5 m -57.76 -36.05 71.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.332 -179.573 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.413 ' CD1' ' SG ' ' A' ' 39' ' ' CYS . 0.4 OUTLIER -77.37 -21.75 14.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 C-N-CA 120.556 -0.457 . . . . 0.0 110.814 -179.485 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.424 ' ND2' ' C ' ' A' ' 28' ' ' ASN . 0.0 OUTLIER -105.81 -2.0 23.64 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.03 -179.655 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.464 ' OG1' ' O ' ' A' ' 25' ' ' ASP . 34.2 p -117.29 -48.48 2.62 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.789 0.328 . . . . 0.0 110.332 179.657 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.55 168.9 10.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.207 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 44.1 t -158.38 124.01 4.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.876 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -174.47 133.5 0.38 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.113 179.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.403 HG13 ' H ' ' A' ' 34' ' ' GLU . 1.6 pt -39.03 -39.84 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.786 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.403 ' H ' HG13 ' A' ' 33' ' ' ILE . 2.2 mt-10 -74.57 -51.68 13.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.964 -179.639 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.06 -52.35 61.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.771 0.32 . . . . 0.0 110.271 -179.687 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 27.1 mt -66.07 -49.82 66.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.039 -179.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.81 -51.23 61.62 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.305 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.61 -50.79 68.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.391 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.413 ' SG ' ' CD1' ' A' ' 27' ' ' ILE . 24.3 t -51.14 -49.63 60.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.371 179.75 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 18.0 mtp-105 -58.82 -47.14 85.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.418 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -54.78 -37.8 66.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.422 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.425 179.773 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.8 mt . . . . . 0 C--O 1.233 0.203 0 CA-C-O 120.631 0.253 . . . . 0.0 110.404 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.6 t -40.63 -49.52 3.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.883 0.373 . . . . 0.0 110.301 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -164.49 127.95 2.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.925 -0.579 . . . . 0.0 109.726 179.309 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.541 ' CG ' ' OE2' ' A' ' 22' ' ' GLU . 3.3 m0 -121.97 161.22 23.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.899 -179.757 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.8 mptt -94.8 159.28 15.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.224 179.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.7 p90 -62.3 -38.47 89.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.488 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.99 -62.21 1.98 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.226 -179.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.541 ' OE2' ' CG ' ' A' ' 18' ' ' TRP . 20.1 pt-20 -60.59 -36.7 79.18 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.853 -179.338 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.3 mt -54.71 -56.04 23.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.886 0.374 . . . . 0.0 110.187 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 -61.5 -50.61 72.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.766 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.464 ' O ' ' OG1' ' A' ' 29' ' ' THR . 19.7 t70 -55.86 -54.05 49.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.913 -179.601 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.421 ' OG1' ' O ' ' A' ' 22' ' ' GLU . 5.6 m -58.2 -35.57 71.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.379 -179.385 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -77.85 -21.83 13.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.862 -179.511 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.407 ' ND2' ' CG2' ' A' ' 29' ' ' THR . 0.0 OUTLIER -104.69 -3.23 23.94 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.935 -179.735 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.47 ' HG1' ' H ' ' A' ' 30' ' ' SER . 34.1 p -116.14 -48.21 2.74 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.783 0.325 . . . . 0.0 110.477 179.673 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.47 ' H ' ' HG1' ' A' ' 29' ' ' THR . 0.4 OUTLIER -92.98 168.22 11.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.201 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 43.7 t -158.32 123.74 4.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.843 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 33' ' ' ILE . 4.1 t0 -174.5 133.41 0.38 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.11 179.787 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.409 HG13 ' H ' ' A' ' 34' ' ' GLU . 1.7 pt -38.79 -40.0 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.689 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.409 ' H ' HG13 ' A' ' 33' ' ' ILE . 2.5 mt-10 -74.63 -52.29 12.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.091 -179.647 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.78 -52.52 59.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.862 0.363 . . . . 0.0 110.23 -179.575 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 29.6 mt -65.13 -52.3 56.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.962 -179.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.05 -49.07 67.09 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.31 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.33 -46.47 86.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.456 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 14.1 t -53.55 -50.6 65.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.177 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 48.9 ttt85 -58.4 -47.63 83.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.293 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -55.02 -39.77 69.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.442 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.561 179.939 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 16' ' ' SER . 17.9 mt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.662 0.268 . . . . 0.0 110.308 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 15' ' ' LEU . 4.2 t -38.49 -50.77 1.57 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.993 0.425 . . . . 0.0 110.452 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.9 tmtp? -164.4 128.33 2.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.57 179.179 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 2.9 m0 -120.69 164.09 17.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.093 -179.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.5 mmmm -97.61 149.27 22.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.322 179.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -53.22 -39.08 63.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.585 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.22 -63.0 1.42 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.143 -179.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.462 ' O ' ' OG1' ' A' ' 26' ' ' THR . 17.3 pt-20 -61.04 -33.54 73.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.077 -179.312 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.3 mt -58.03 -56.25 24.38 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.383 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.7 ttm180 -63.95 -47.47 80.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.639 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.457 ' O ' ' OG1' ' A' ' 29' ' ' THR . 32.1 t70 -56.51 -53.94 51.68 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.683 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.462 ' OG1' ' O ' ' A' ' 22' ' ' GLU . 10.0 m -58.56 -35.56 72.56 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.273 -179.775 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.418 ' CD1' ' SG ' ' A' ' 39' ' ' CYS . 0.5 OUTLIER -77.2 -21.98 14.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 C-N-CA 120.496 -0.482 . . . . 0.0 110.751 -179.521 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.404 ' ND2' ' CG2' ' A' ' 29' ' ' THR . 0.0 OUTLIER -105.09 -3.52 23.0 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.997 -179.622 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.457 ' OG1' ' O ' ' A' ' 25' ' ' ASP . 35.3 p -116.48 -48.31 2.7 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.746 0.307 . . . . 0.0 110.351 179.736 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.58 168.81 11.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.195 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 9.6 t -158.45 123.86 4.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.998 0.427 . . . . 0.0 110.771 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 33' ' ' ILE . 1.7 t70 -174.65 131.85 0.35 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.987 179.671 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.401 ' C ' ' O ' ' A' ' 32' ' ' ASP . 1.8 pt -38.77 -39.16 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.653 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.4 ' H ' HG13 ' A' ' 33' ' ' ILE . 2.1 mt-10 -75.24 -51.21 13.85 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.072 -179.528 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.97 -52.42 60.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.862 0.363 . . . . 0.0 110.122 -179.698 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.8 mt -65.67 -50.63 64.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.965 -179.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.93 -48.73 67.09 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.287 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.75 -43.72 88.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.416 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.418 ' SG ' ' CD1' ' A' ' 27' ' ' ILE . 22.4 t -58.56 -51.01 71.72 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.396 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -57.74 -49.0 78.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.529 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -54.94 -40.98 70.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.575 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.556 -179.871 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.1 mt . . . . . 0 N--CA 1.46 0.064 0 CA-C-O 120.768 0.318 . . . . 0.0 110.362 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.8 t -38.81 -50.49 1.69 Allowed 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.398 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.9 tptp -164.26 128.09 2.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.741 179.326 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.523 ' CG ' ' OE2' ' A' ' 22' ' ' GLU . 3.3 m0 -121.78 165.59 15.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.954 -179.74 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.525 ' H ' ' CD ' ' A' ' 22' ' ' GLU . 25.7 mmtp -100.38 163.68 12.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.81 0.338 . . . . 0.0 110.391 179.705 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 92.0 t80 -65.8 -39.8 91.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.624 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.95 -57.26 13.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.082 -179.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.525 ' CD ' ' H ' ' A' ' 19' ' ' LYS . 11.6 pt-20 -63.87 -37.43 87.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.991 -179.507 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.0 mt -55.7 -55.94 26.31 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.349 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -61.79 -49.97 74.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.769 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.468 ' O ' ' OG1' ' A' ' 29' ' ' THR . 21.2 t70 -55.99 -54.09 48.99 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.796 -179.677 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.423 ' OG1' ' O ' ' A' ' 22' ' ' GLU . 6.5 m -58.36 -35.44 71.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.435 -179.486 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -78.11 -21.43 13.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.768 -179.554 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.41 ' ND2' ' C ' ' A' ' 28' ' ' ASN . 0.0 OUTLIER -105.5 -2.76 23.26 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-N 116.654 -0.248 . . . . 0.0 111.059 -179.747 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.48 ' HG1' ' H ' ' A' ' 30' ' ' SER . 34.5 p -116.94 -48.25 2.66 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.858 0.361 . . . . 0.0 110.374 179.667 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.48 ' H ' ' HG1' ' A' ' 29' ' ' THR . 0.4 OUTLIER -92.09 168.14 11.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.118 179.856 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 35.8 t -158.32 123.83 4.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.691 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 33' ' ' ILE . 1.9 t0 -174.63 131.9 0.35 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.949 179.652 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.413 ' C ' ' O ' ' A' ' 32' ' ' ASP . 1.8 pt -38.37 -39.07 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.678 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.402 ' H ' HG13 ' A' ' 33' ' ' ILE . 2.2 mt-10 -75.11 -52.23 11.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.003 -179.669 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.03 -52.62 60.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.901 0.382 . . . . 0.0 110.167 -179.821 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 29.8 mt -64.13 -52.27 59.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.822 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.02 -49.87 65.37 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.081 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.1 -48.87 79.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.424 179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 8.1 t -51.42 -47.79 62.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.128 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.33 -47.31 86.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.363 179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -54.78 -36.75 65.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.309 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.452 179.787 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 16' ' ' SER . 19.6 mt . . . . . 0 C--O 1.232 0.154 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 15' ' ' LEU . 2.1 t -38.42 -51.38 1.55 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.378 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.6 tmtt? -164.47 128.38 2.55 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.698 179.263 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.532 ' CG ' ' OE2' ' A' ' 22' ' ' GLU . 2.6 m0 -121.33 163.67 18.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.07 -179.572 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.9 mptt -97.05 163.0 13.13 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.258 179.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.62 ' CD2' ' N ' ' A' ' 21' ' ' ALA . 52.7 p90 -63.58 -49.06 74.87 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.613 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.62 ' N ' ' CD2' ' A' ' 20' ' ' TYR . . . -50.11 -54.66 19.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.657 -179.357 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.532 ' OE2' ' CG ' ' A' ' 18' ' ' TRP . 24.4 pt-20 -68.11 -35.84 78.79 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.76 -0.376 . . . . 0.0 111.197 -179.065 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.3 mt -55.66 -56.62 18.25 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.43 -0.508 . . . . 0.0 110.563 -179.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -65.38 -47.64 75.66 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.389 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.449 ' O ' ' OG1' ' A' ' 29' ' ' THR . 24.5 t70 -54.63 -53.75 50.6 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.651 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.45 ' OG1' ' O ' ' A' ' 22' ' ' GLU . 7.2 m -59.98 -35.22 74.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.226 -179.718 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -77.61 -20.14 13.99 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 C-N-CA 120.566 -0.454 . . . . 0.0 110.866 -179.423 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -105.92 -5.74 19.42 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.979 -179.569 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.449 ' OG1' ' O ' ' A' ' 25' ' ' ASP . 35.2 p -113.84 -48.64 2.91 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.805 0.335 . . . . 0.0 110.426 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.04 168.51 11.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.179 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 44.7 t -158.32 123.7 4.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.931 0.396 . . . . 0.0 110.79 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 33' ' ' ILE . 1.1 t70 -174.63 131.55 0.35 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.977 179.689 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 32' ' ' ASP . 1.7 pt -38.44 -38.92 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.627 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -75.2 -52.26 11.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.987 -179.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.95 -52.58 60.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.876 0.369 . . . . 0.0 110.094 -179.762 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 28.0 mt -64.72 -50.79 65.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.968 -179.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.88 -49.38 65.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.962 0.41 . . . . 0.0 110.233 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.3 -46.53 83.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.391 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 12.0 t -54.47 -51.97 63.35 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.29 179.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 46.7 mtp180 -57.64 -45.58 85.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.371 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -54.72 -41.47 70.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.202 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.373 179.747 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.3 mt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.654 0.264 . . . . 0.0 110.339 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.7 t -39.76 -50.1 2.34 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.363 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.9 tmtp? -164.41 128.38 2.57 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.604 179.294 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.527 ' CG ' ' OE2' ' A' ' 22' ' ' GLU . 2.8 m0 -120.47 163.93 17.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.023 -179.61 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.8 mptt -96.44 153.97 17.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.165 179.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -57.34 -39.31 75.63 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.935 0.397 . . . . 0.0 110.639 -179.719 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.03 -63.24 1.27 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.331 -179.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.527 ' OE2' ' CG ' ' A' ' 18' ' ' TRP . 26.6 pt-20 -60.74 -36.2 78.3 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.099 -179.311 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.5 mt -55.21 -56.09 23.88 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.143 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.8 ttm-85 -62.02 -50.57 71.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.646 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.466 ' O ' ' OG1' ' A' ' 29' ' ' THR . 15.4 t70 -55.54 -54.11 48.0 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.956 -179.566 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' A' ' 22' ' ' GLU . 5.8 m -58.44 -35.65 72.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.43 -179.476 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.442 ' CD1' ' HG ' ' A' ' 39' ' ' CYS . 0.6 OUTLIER -78.25 -21.17 13.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.802 -179.354 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.411 ' ND2' ' CG2' ' A' ' 29' ' ' THR . 0.0 OUTLIER -105.54 -3.08 22.81 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.0 -179.708 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.466 ' OG1' ' O ' ' A' ' 25' ' ' ASP . 35.3 p -116.65 -48.37 2.68 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.903 0.382 . . . . 0.0 110.357 179.662 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.14 168.23 11.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.152 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 29.3 t -158.26 123.83 4.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.891 0.376 . . . . 0.0 110.763 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 33' ' ' ILE . 2.0 t70 -174.43 133.14 0.38 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.081 179.578 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.407 HG13 ' H ' ' A' ' 34' ' ' GLU . 1.7 pt -38.44 -40.05 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.749 -179.731 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.407 ' H ' HG13 ' A' ' 33' ' ' ILE . 2.3 mt-10 -74.67 -51.74 13.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.07 -179.642 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.87 -52.54 60.15 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.23 -179.643 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.9 mt -65.43 -52.36 53.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.991 -179.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.94 -48.85 67.02 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.28 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.88 -44.13 90.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.441 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.442 ' HG ' ' CD1' ' A' ' 27' ' ' ILE . 32.1 t -57.11 -50.69 72.01 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.256 179.679 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 45.0 mtp180 -59.22 -42.97 92.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.453 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -60.36 -36.69 78.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.338 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.484 179.937 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.607 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -75.67 147.45 39.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.871 0.367 . . . . 0.0 110.467 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 68.2 mttt -84.6 -163.03 0.75 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.621 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.1 mmmt -47.42 -68.7 0.17 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.456 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -127.95 150.85 49.71 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.322 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -149.25 109.68 4.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.332 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 16' ' ' SER . 13.7 mt -122.81 59.25 1.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.431 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 15' ' ' LEU . 2.0 t -39.03 -50.05 1.77 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.952 0.406 . . . . 0.0 110.415 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 44.2 tptt -164.31 128.31 2.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.787 179.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.51 ' CG ' ' OE2' ' A' ' 22' ' ' GLU . 2.9 m0 -121.47 165.36 15.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.969 -179.754 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.528 ' H ' ' CD ' ' A' ' 22' ' ' GLU . 19.3 mmtm -97.82 164.13 12.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.196 179.655 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -66.9 -41.88 86.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.937 0.398 . . . . 0.0 110.561 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.21 -56.07 26.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.177 -179.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.528 ' CD ' ' H ' ' A' ' 19' ' ' LYS . 14.5 pt-20 -64.85 -38.54 91.32 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.973 -179.479 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.4 mt -54.44 -56.24 20.72 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.308 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 55.5 ttt180 -62.67 -49.6 74.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.802 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.468 ' O ' ' OG1' ' A' ' 29' ' ' THR . 14.5 t70 -55.86 -54.06 49.16 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.746 -179.754 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 22' ' ' GLU . 6.7 m -58.29 -35.87 72.48 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.374 -179.581 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -77.5 -21.65 14.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 120.492 -0.483 . . . . 0.0 110.809 -179.448 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.405 ' ND2' ' CG2' ' A' ' 29' ' ' THR . 0.0 OUTLIER -105.59 -2.96 22.88 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.064 -179.653 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.468 ' OG1' ' O ' ' A' ' 25' ' ' ASP . 35.3 p -116.78 -48.17 2.68 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.746 0.308 . . . . 0.0 110.477 179.595 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.85 168.68 11.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.175 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 48.2 t -158.44 123.78 4.39 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.903 0.382 . . . . 0.0 110.854 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -174.59 132.73 0.36 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.11 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.411 HG13 ' H ' ' A' ' 34' ' ' GLU . 1.7 pt -38.38 -39.94 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.85 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.411 ' H ' HG13 ' A' ' 33' ' ' ILE . 2.3 mt-10 -74.41 -52.08 13.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.155 -179.72 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.85 -52.54 60.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.826 0.346 . . . . 0.0 110.246 -179.627 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 25.9 mt -65.22 -51.81 58.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.931 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.03 -49.19 66.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.881 0.372 . . . . 0.0 110.295 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.57 -48.8 75.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.48 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 12.7 t -53.36 -49.43 67.18 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.268 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 47.9 mtp180 -59.57 -45.12 92.77 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.551 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -54.72 -44.19 73.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.392 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.514 ' N ' ' OE1' ' A' ' 42' ' ' GLU . 0.2 OUTLIER -66.31 -43.82 85.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.464 179.931 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.96 -52.79 61.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.284 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 16.4 t-80 -58.45 -39.51 80.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.559 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 32.3 ttm180 -62.65 -53.71 50.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.591 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 45.4 ttp85 -58.51 -38.61 78.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.527 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.9 mt -71.99 -32.45 67.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.494 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -65.87 -53.18 43.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.511 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.513 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 34.0 m -67.37 -39.73 83.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.482 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -67.05 -30.15 70.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.454 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -80.31 -33.75 37.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.479 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.401 ' O ' ' OG ' ' A' ' 55' ' ' SER . . . -74.09 -33.55 63.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.553 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.513 ' CD1' ' O ' ' A' ' 49' ' ' VAL . 18.3 m0 -58.49 -73.63 0.07 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.546 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.522 ' O ' ' N ' ' A' ' 56' ' ' LYS . 36.4 pttt -49.14 -38.87 26.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.536 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 57' ' ' ASN . 40.2 m 55.08 -82.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.682 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.522 ' N ' ' O ' ' A' ' 54' ' ' LYS . 2.2 mmmm 54.32 -88.85 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.474 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 55' ' ' SER . 3.7 m120 -50.44 96.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.523 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -172.15 136.6 0.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.476 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 55.7 mttp -136.72 100.05 4.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.61 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 69.5 mtp85 . . . . . 0 C--O 1.221 -0.402 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.558 179.963 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.618 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.7 p -61.02 177.41 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.766 0.317 . . . . 0.0 110.557 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 54.1 mmtt -46.26 104.57 0.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.634 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 22.1 mtpp -79.36 -55.07 5.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.463 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -139.0 145.4 39.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.325 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -140.18 118.63 12.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.393 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.466 ' O ' ' C ' ' A' ' 16' ' ' SER . 10.5 mt -139.0 40.44 2.13 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.48 ' H ' ' HG ' ' A' ' 16' ' ' SER . 0.7 OUTLIER -32.75 -43.39 0.09 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.499 -179.742 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.4 tptm -164.16 127.71 2.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.902 178.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.53 ' CG ' ' OE2' ' A' ' 22' ' ' GLU . 2.9 m0 -123.74 161.71 24.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.868 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.9 mptt -93.94 158.03 15.83 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -61.17 -40.4 93.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.887 0.375 . . . . 0.0 110.873 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.94 -62.21 1.85 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.308 -179.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.53 ' OE2' ' CG ' ' A' ' 18' ' ' TRP . 22.5 pt-20 -60.58 -37.59 81.83 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.088 -179.266 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.8 mt -54.52 -56.07 22.68 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.35 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -62.15 -51.2 68.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.835 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.459 ' O ' ' OG1' ' A' ' 29' ' ' THR . 13.2 t70 -55.65 -54.1 48.32 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.956 -179.595 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.436 ' OG1' ' O ' ' A' ' 22' ' ' GLU . 6.8 m -57.92 -36.21 72.15 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.347 -179.373 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -77.79 -21.5 13.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.815 -179.426 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.408 ' ND2' ' CG2' ' A' ' 29' ' ' THR . 0.0 OUTLIER -105.03 -2.84 23.92 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.044 -179.791 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.493 ' HG1' ' H ' ' A' ' 30' ' ' SER . 35.3 p -116.93 -48.15 2.67 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.833 0.349 . . . . 0.0 110.444 179.688 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.493 ' H ' ' HG1' ' A' ' 29' ' ' THR . 0.4 OUTLIER -92.02 167.74 11.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.247 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 45.3 t -158.34 123.95 4.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.81 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -174.55 134.34 0.39 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.073 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.417 HG13 ' H ' ' A' ' 34' ' ' GLU . 1.6 pt -38.74 -41.27 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.705 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.417 ' H ' HG13 ' A' ' 33' ' ' ILE . 2.3 mt-10 -74.9 -51.77 12.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.099 -179.566 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.86 -52.38 60.6 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.272 -179.649 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 32.9 mt -65.36 -51.94 57.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.939 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.99 -51.76 60.53 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.289 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.03 -47.42 85.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.298 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 11.6 t -54.22 -46.9 72.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.172 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 31.4 ttm180 -59.47 -46.55 88.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.373 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -54.77 -44.95 74.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.295 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -60.74 -51.32 69.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.352 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -59.24 -48.7 80.63 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.076 179.715 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 69.3 t60 -51.9 -46.42 64.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.413 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -60.48 -55.21 36.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.56 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -54.82 -42.35 71.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.402 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.2 mt -56.8 -56.55 20.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.463 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.517 ' O ' ' N ' ' A' ' 52' ' ' ALA . 9.1 mtmp? -65.22 -50.88 64.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.436 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 39.2 t -53.38 -42.26 47.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.357 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -69.38 -46.22 67.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.525 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 26.5 t-80 -74.2 -19.26 60.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.601 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.517 ' N ' ' O ' ' A' ' 48' ' ' LYS . . . -86.94 -57.16 3.08 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.621 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 29.1 m0 -50.19 -10.59 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.559 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.507 ' H ' ' C ' ' A' ' 52' ' ' ALA . 2.0 tmtp? -57.59 -51.85 67.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.66 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 40.1 m -50.46 118.85 3.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.566 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 18.4 mmmt -88.85 85.0 6.66 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.607 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 68.0 m-20 -85.24 158.63 20.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.573 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.443 ' O ' ' O ' ' A' ' 59' ' ' LYS . 72.9 tttt -161.88 -3.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.406 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.443 ' O ' ' O ' ' A' ' 58' ' ' LYS . 78.1 tttt 58.54 147.86 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.61 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 60.2 mtt85 . . . . . 0 C--O 1.221 -0.435 0 CA-C-O 118.024 -0.989 . . . . 0.0 110.593 179.909 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.671 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -74.93 149.91 39.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.774 0.321 . . . . 0.0 110.455 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.6 mtmt -82.89 -164.45 0.87 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.463 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -80.12 -54.07 6.11 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.527 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -128.91 150.69 50.26 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.343 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -142.7 111.37 6.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.426 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 16' ' ' SER . 15.1 mt -125.26 61.88 1.19 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.283 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 15' ' ' LEU . 1.6 t -38.59 -50.37 1.58 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.445 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -163.53 127.94 2.87 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.855 179.26 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 3.1 m0 -123.22 152.28 41.42 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.994 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.518 ' CB ' ' HZ1' ' A' ' 19' ' ' LYS . 0.1 OUTLIER -86.76 160.27 18.86 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 179.631 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -63.76 -37.3 86.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.964 0.412 . . . . 0.0 110.346 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.9 -59.5 5.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.159 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.428 ' O ' ' OG1' ' A' ' 26' ' ' THR . 14.9 pt-20 -62.12 -37.72 86.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.98 -179.521 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.7 mt -55.38 -56.04 24.7 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.247 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 57.8 ttt180 -62.01 -50.18 73.07 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.796 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.465 ' O ' ' OG1' ' A' ' 29' ' ' THR . 20.1 t70 -56.25 -54.14 48.88 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 -179.658 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.428 ' OG1' ' O ' ' A' ' 22' ' ' GLU . 6.6 m -57.88 -35.88 71.6 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.47 -179.552 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -77.74 -21.76 13.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 C-N-CA 120.476 -0.49 . . . . 0.0 110.811 -179.517 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.415 ' ND2' ' C ' ' A' ' 28' ' ' ASN . 0.0 OUTLIER -105.04 -2.56 24.27 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.01 -179.756 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.465 ' OG1' ' O ' ' A' ' 25' ' ' ASP . 34.8 p -117.32 -48.39 2.62 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.872 0.368 . . . . 0.0 110.387 179.669 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.56 168.45 11.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.191 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 10.4 t -158.4 123.84 4.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.772 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 33' ' ' ILE . 4.9 t0 -174.47 132.07 0.37 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.076 179.675 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 32' ' ' ASP . 1.7 pt -38.55 -38.95 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.725 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.403 ' H ' HG13 ' A' ' 33' ' ' ILE . 2.3 mt-10 -75.1 -51.64 12.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.029 -179.68 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.96 -52.41 60.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.781 0.324 . . . . 0.0 110.238 -179.758 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.3 mt -65.49 -50.86 63.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.823 -179.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.85 -47.5 67.73 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.155 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.79 -44.67 85.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.225 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 13.2 t -56.59 -50.7 71.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.1 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 21.2 mtp85 -58.12 -46.98 84.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.373 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -54.79 -41.29 70.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.384 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -64.38 -49.55 71.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.402 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -58.4 -53.05 62.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.353 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 19.9 t60 -60.66 -31.62 70.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.521 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 26.6 ttt85 -69.32 -55.07 11.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.527 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 25.4 ttp85 -58.81 -36.55 74.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.735 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.5 mt -71.71 -38.23 70.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.422 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.4 tmtm? -61.84 -53.19 59.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.672 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 34.1 m -66.74 -39.62 84.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.499 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -55.15 -49.71 71.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.481 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 29.8 m80 -70.53 -35.67 73.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.499 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.58 -59.13 5.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.578 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.529 ' O ' ' N ' ' A' ' 55' ' ' SER . 14.1 m0 -62.43 -59.62 4.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.485 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 65.8 tttt 62.88 -69.9 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.495 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.529 ' N ' ' O ' ' A' ' 53' ' ' TRP . 10.7 t -65.49 -133.0 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.517 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.1 mmmm 45.37 30.43 0.7 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.6 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.528 ' CG ' ' H ' ' A' ' 58' ' ' LYS . 13.8 t-20 -160.89 -177.52 6.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.49 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.528 ' H ' ' CG ' ' A' ' 57' ' ' ASN . 21.5 tttp -70.86 0.51 7.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.5 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -90.56 57.14 3.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.67 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 70.8 mtp180 . . . . . 0 C--O 1.219 -0.514 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.42 179.933 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.67 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.459 ' H ' ' HG1' ' A' ' 10' ' ' THR . 0.0 OUTLIER -60.83 120.48 10.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.77 0.319 . . . . 0.0 110.454 -179.891 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -88.45 -165.78 1.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.591 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.4 mmmt -75.03 -59.65 2.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.566 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -127.22 146.14 50.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.375 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -135.76 111.87 9.66 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.498 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 16' ' ' SER . 15.0 mt -126.59 61.81 1.31 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.097 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 15' ' ' LEU . 1.7 t -35.93 -52.11 0.73 Allowed 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.646 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 43.3 tptt -164.49 128.33 2.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.891 179.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.532 ' CG ' ' OE2' ' A' ' 22' ' ' GLU . 3.3 m0 -121.53 164.83 16.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.926 -179.704 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.524 ' H ' ' CD ' ' A' ' 22' ' ' GLU . 32.1 mmtm -99.81 163.25 12.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.811 0.338 . . . . 0.0 110.409 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -65.23 -39.3 92.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.787 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.37 -57.83 11.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.135 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.532 ' OE2' ' CG ' ' A' ' 18' ' ' TRP . 11.7 pt-20 -63.32 -36.74 84.69 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.869 -179.482 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.0 mt -56.48 -56.02 26.45 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.31 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 58.9 ttt180 -61.31 -50.49 72.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.775 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.464 ' O ' ' OG1' ' A' ' 29' ' ' THR . 14.2 t70 -55.79 -54.17 47.76 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 -179.632 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.437 ' OG1' ' O ' ' A' ' 22' ' ' GLU . 6.8 m -58.24 -35.42 71.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.403 -179.538 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -78.03 -21.59 13.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.769 -179.475 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.408 ' ND2' ' C ' ' A' ' 28' ' ' ASN . 0.0 OUTLIER -105.71 -2.67 23.03 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.983 -179.665 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.464 ' OG1' ' O ' ' A' ' 25' ' ' ASP . 35.8 p -116.88 -48.48 2.66 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.862 0.363 . . . . 0.0 110.39 179.614 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.81 168.58 11.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.114 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 24.5 t -158.41 123.74 4.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.979 0.418 . . . . 0.0 110.779 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 33' ' ' ILE . 1.0 OUTLIER -174.74 131.32 0.33 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.014 179.689 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.403 ' C ' ' O ' ' A' ' 32' ' ' ASP . 1.8 pt -38.64 -38.29 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.659 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -75.52 -51.83 12.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.916 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.05 -52.44 60.86 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.077 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 25.9 mt -64.57 -51.03 64.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.732 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.89 -49.45 65.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.932 0.396 . . . . 0.0 110.005 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.424 ' O ' ' OE2' ' A' ' 42' ' ' GLU . . . -63.56 -48.13 78.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.199 179.666 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 11.3 t -55.2 -45.71 75.85 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.19 179.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 44.3 ttt85 -59.85 -46.0 90.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.393 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 -54.75 -50.91 67.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.327 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.491 ' N ' ' OE1' ' A' ' 42' ' ' GLU . 0.3 OUTLIER -60.97 -43.89 98.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.306 179.624 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.21 -46.91 88.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.08 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 62.4 t60 -58.59 -40.93 84.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.24 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -61.09 -54.97 38.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.367 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.6 ttm105 -58.37 -40.49 82.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.461 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.46 -56.49 20.5 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.32 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.88 -51.61 46.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.467 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 54.8 t -53.68 -44.15 57.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.591 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -64.67 -51.95 59.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.415 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 66.0 t-80 -58.75 -31.47 68.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.476 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -78.72 -63.98 1.28 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.59 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 22.1 m0 -47.97 -53.78 14.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.395 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.505 ' O ' ' NZ ' ' A' ' 58' ' ' LYS . 5.4 tmtt? 46.18 94.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.561 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 57.7 m -116.1 -102.14 0.42 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.493 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.2 mmpt? 54.22 40.79 32.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.551 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.402 ' O ' ' O ' ' A' ' 58' ' ' LYS . 22.7 m120 53.14 94.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.472 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.505 ' NZ ' ' O ' ' A' ' 54' ' ' LYS . 56.9 mttm -60.62 -133.75 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.589 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.8 pttp -68.16 173.76 4.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.667 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 51.5 mtm-85 . . . . . 0 C--O 1.219 -0.504 0 CA-C-O 117.995 -1.002 . . . . 0.0 110.584 179.963 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.686 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.9 t -76.87 176.65 8.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.832 0.349 . . . . 0.0 110.519 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.584 ' CG ' ' H ' ' A' ' 12' ' ' LYS . 0.3 OUTLIER -78.11 -97.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.531 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.584 ' H ' ' CG ' ' A' ' 11' ' ' LYS . 33.4 mtmt -131.81 -47.75 0.95 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.515 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -129.97 152.45 49.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.367 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -154.07 109.75 3.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.358 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.7 mt -123.05 60.95 1.03 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.387 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.6 t -39.99 -49.39 2.49 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.938 0.399 . . . . 0.0 110.292 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.4 tmtt? -164.44 128.07 2.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.792 179.294 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.524 ' CG ' ' OE2' ' A' ' 22' ' ' GLU . 2.7 m0 -121.23 166.28 14.23 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.941 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.7 mmtm -97.38 159.29 15.01 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 179.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.565 ' CD1' ' N ' ' A' ' 21' ' ' ALA . 48.8 p90 -63.38 -39.6 94.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.943 0.402 . . . . 0.0 110.641 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.565 ' N ' ' CD1' ' A' ' 20' ' ' TYR . . . -58.14 -60.14 4.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.17 -179.642 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.524 ' OE2' ' CG ' ' A' ' 18' ' ' TRP . 22.5 pt-20 -61.59 -37.01 82.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.928 -179.41 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.402 HD12 HH21 ' A' ' 46' ' ' ARG . 2.5 mt -55.46 -56.01 25.11 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.262 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 64.9 ttt180 -61.53 -50.02 74.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.783 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.458 ' O ' ' OG1' ' A' ' 29' ' ' THR . 21.8 t70 -56.17 -54.06 49.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.994 -179.688 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.429 ' OG1' ' O ' ' A' ' 22' ' ' GLU . 6.1 m -58.18 -35.51 71.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.403 -179.563 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -77.92 -22.07 13.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 C-N-CA 120.58 -0.448 . . . . 0.0 110.756 -179.47 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.405 ' ND2' ' CG2' ' A' ' 29' ' ' THR . 0.0 OUTLIER -104.18 -3.78 23.95 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.929 -179.645 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.458 ' OG1' ' O ' ' A' ' 25' ' ' ASP . 34.2 p -115.8 -48.27 2.76 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.895 0.379 . . . . 0.0 110.388 179.751 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.0 168.05 11.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.251 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 42.6 t -158.36 123.89 4.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.729 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 33' ' ' ILE . 1.9 t70 -174.56 132.79 0.36 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.015 179.693 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.411 ' C ' ' O ' ' A' ' 32' ' ' ASP . 1.7 pt -37.91 -40.12 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.731 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.409 ' H ' HG13 ' A' ' 33' ' ' ILE . 2.3 mt-10 -74.71 -52.84 10.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.016 -179.661 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.87 -52.65 59.78 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.195 -179.705 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 33.0 mt -64.22 -52.99 56.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.966 -179.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.93 -51.93 59.6 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.325 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.48 -46.35 89.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.465 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 12.3 t -54.69 -51.98 63.82 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.304 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 65.4 mtp85 -55.65 -46.5 77.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.444 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -54.75 -44.24 73.43 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.285 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -60.65 -50.51 73.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.321 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -51.66 -52.99 43.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.199 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 18.5 t-80 -56.29 -42.35 77.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.271 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 54.1 ttt-85 -63.91 -49.18 73.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.448 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.402 HH21 HD12 ' A' ' 23' ' ' LEU . 21.7 ttm-85 -54.82 -44.02 73.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.415 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 17.1 mt -68.14 -35.76 78.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.855 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 45.9 tttp -68.01 -53.24 27.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.888 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.473 ' O ' ' N ' ' A' ' 53' ' ' TRP . 13.5 m -68.2 -39.11 80.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.617 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.52 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 69.3 t80 -63.24 -42.15 99.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.431 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 34.5 t-80 -81.94 -27.22 33.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.521 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -92.29 -5.14 52.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.588 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.52 ' CD1' ' O ' ' A' ' 50' ' ' TYR . 1.3 p-90 -47.59 -30.47 3.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.597 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.49 ' N ' ' CD1' ' A' ' 53' ' ' TRP . 18.0 ptmt -59.1 -36.53 75.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.542 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 57' ' ' ASN . 45.5 m 45.69 30.81 0.87 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.543 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 18.1 ttmt 55.08 -84.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.538 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.661 HD21 ' N ' ' A' ' 58' ' ' LYS . 0.4 OUTLIER -90.73 132.96 35.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.569 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.661 ' N ' HD21 ' A' ' 57' ' ' ASN . 17.0 mmtt -148.7 -1.27 0.51 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.294 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.6 tptm -104.43 35.15 2.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.384 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 17.1 mtm180 . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.587 179.925 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.702 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.1 p -75.3 150.36 38.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.786 0.327 . . . . 0.0 110.445 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.9 mtmm -104.12 -171.49 1.94 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.531 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.5 mtpt -136.09 -56.28 0.76 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.613 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -124.83 152.87 43.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.439 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -147.83 111.72 5.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.47 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.9 mt -125.72 61.44 1.24 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.276 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.9 t -39.19 -50.68 1.93 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.322 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.8 tmtt? -164.45 128.11 2.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.785 179.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.528 ' CG ' ' OE2' ' A' ' 22' ' ' GLU . 3.3 m0 -121.51 165.84 15.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.101 -0.499 . . . . 0.0 109.801 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.533 ' H ' ' CD ' ' A' ' 22' ' ' GLU . 23.4 mmtm -100.88 163.71 12.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.778 0.323 . . . . 0.0 110.396 179.788 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.435 ' CG ' ' N ' ' A' ' 21' ' ' ALA . 41.1 p90 -65.24 -39.85 93.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.715 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.435 ' N ' ' CG ' ' A' ' 20' ' ' TYR . . . -59.41 -57.45 12.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.143 -179.684 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.533 ' CD ' ' H ' ' A' ' 19' ' ' LYS . 11.6 pt-20 -63.8 -36.17 83.02 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.93 -179.419 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.4 mt -57.13 -55.93 28.3 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.324 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 -61.54 -50.63 71.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.735 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.459 ' O ' ' OG1' ' A' ' 29' ' ' THR . 14.6 t70 -55.62 -54.06 48.86 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.953 -179.606 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.434 ' OG1' ' O ' ' A' ' 22' ' ' GLU . 7.7 m -58.38 -35.56 72.19 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.459 -179.442 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -78.31 -21.45 13.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.506 -0.478 . . . . 0.0 110.803 -179.422 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.413 ' ND2' ' C ' ' A' ' 28' ' ' ASN . 0.0 OUTLIER -104.26 -3.72 23.92 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.806 -179.855 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.459 ' OG1' ' O ' ' A' ' 25' ' ' ASP . 34.2 p -115.74 -48.79 2.75 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.866 0.365 . . . . 0.0 110.293 179.62 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.57 168.6 11.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.165 179.671 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.8 t -158.32 123.83 4.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.968 0.413 . . . . 0.0 110.895 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 33' ' ' ILE . 1.8 t70 -174.55 132.14 0.36 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.025 179.684 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.409 ' C ' ' O ' ' A' ' 32' ' ' ASP . 1.8 pt -38.16 -39.62 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.772 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.403 ' H ' HG13 ' A' ' 33' ' ' ILE . 2.1 mt-10 -74.83 -51.47 13.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.112 -179.626 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.95 -52.46 60.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.815 0.341 . . . . 0.0 110.129 -179.709 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 22.8 mt -65.42 -52.05 56.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.911 -179.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.83 -49.93 64.72 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.183 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.6 -42.85 99.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.302 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 18.5 t -56.84 -52.32 65.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.145 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 87.4 mtt180 -56.25 -46.43 79.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.293 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -54.64 -43.59 72.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.293 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -63.12 -44.6 95.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.452 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -55.95 -53.01 62.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.332 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 20.1 m-70 -57.12 -47.59 80.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.431 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 46.3 ttt-85 -61.06 -53.41 57.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.533 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.3 mmt85 -60.03 -36.03 76.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.625 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.0 tp -72.15 -41.93 66.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.545 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.3 tppt? -59.55 -53.45 57.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.607 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 22.5 m -65.9 -41.01 89.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.478 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -61.46 -29.78 70.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.299 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 30.2 m170 -80.05 -38.63 31.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.298 179.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.12 -47.58 83.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.58 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 54.3 m95 -50.83 -16.46 0.42 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.591 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 73.6 tttt -75.47 -61.76 1.8 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.552 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.9 m 53.85 -131.47 2.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.563 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.9 tppt? -158.38 -20.21 0.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.483 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -140.21 -155.88 0.63 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.452 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 70.1 tttt 47.63 47.23 17.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.456 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 58.4 mttt -65.87 101.78 0.7 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.658 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 66.7 mtt-85 . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.526 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.726 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.9 p -74.56 176.82 6.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.846 0.355 . . . . 0.0 110.484 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -63.32 94.58 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.529 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 25.2 mtpt -46.53 -66.74 0.36 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.626 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -127.9 153.92 46.11 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.404 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -152.28 109.84 3.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.313 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.8 mt -124.05 61.08 1.11 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.377 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.6 t -39.71 -49.88 2.3 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.922 0.391 . . . . 0.0 110.347 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -164.22 128.21 2.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.642 179.118 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.464 ' CD2' ' OE2' ' A' ' 22' ' ' GLU . 3.1 m0 -122.17 159.93 26.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.019 -179.665 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.512 ' H ' ' CD ' ' A' ' 22' ' ' GLU . 0.1 OUTLIER -94.57 164.21 13.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.296 179.839 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.447 ' CD1' ' N ' ' A' ' 21' ' ' ALA . 18.0 p90 -66.99 -38.8 86.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.566 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.447 ' N ' ' CD1' ' A' ' 20' ' ' TYR . . . -58.97 -56.27 24.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.112 -179.734 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.512 ' CD ' ' H ' ' A' ' 19' ' ' LYS . 12.3 pt-20 -64.74 -38.72 91.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.962 -179.654 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.3 mt -54.84 -56.21 21.87 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.264 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 69.9 ttt-85 -61.81 -49.73 75.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.782 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.456 ' O ' ' OG1' ' A' ' 29' ' ' THR . 25.1 t70 -56.59 -53.91 52.07 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.84 -179.632 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.427 ' OG1' ' O ' ' A' ' 22' ' ' GLU . 6.3 m -58.16 -35.62 71.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.336 -179.509 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -77.54 -22.64 14.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.774 -179.474 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.404 ' ND2' ' CG2' ' A' ' 29' ' ' THR . 0.0 OUTLIER -103.39 -4.12 24.55 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.9 -179.721 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.492 ' HG1' ' H ' ' A' ' 30' ' ' SER . 34.6 p -115.59 -48.24 2.78 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.836 0.351 . . . . 0.0 110.372 179.615 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.492 ' H ' ' HG1' ' A' ' 29' ' ' THR . 0.4 OUTLIER -93.38 168.83 10.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.205 179.785 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 43.9 t -158.33 123.96 4.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.956 0.408 . . . . 0.0 110.853 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 33' ' ' ILE . 3.5 t0 -174.61 131.73 0.35 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.05 179.689 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.413 ' C ' ' O ' ' A' ' 32' ' ' ASP . 1.8 pt -37.69 -39.7 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.844 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.408 ' H ' HG13 ' A' ' 33' ' ' ILE . 2.3 mt-10 -74.75 -52.21 12.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.063 -179.73 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.95 -52.55 60.3 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.129 -179.705 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 27.3 mt -64.32 -51.75 61.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.818 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.03 -52.33 58.8 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.383 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.34 -45.86 91.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.325 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 49.5 t -53.9 -50.23 66.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.263 179.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 66.1 mtt85 -58.23 -46.34 86.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.319 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -54.65 -40.9 69.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.303 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -67.75 -47.68 68.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.418 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.55 -52.53 64.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.225 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -57.5 -40.86 79.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.606 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 54.2 ttt180 -61.28 -55.43 31.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.546 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 79.0 mtt85 -59.09 -40.29 84.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.538 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.1 tp -59.31 -56.54 20.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.652 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 52' ' ' ALA . 13.4 tptp -66.08 -45.9 79.62 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.496 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 41.1 t -57.33 -45.65 85.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.382 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -67.56 -44.1 79.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.485 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 12.2 t-80 -69.95 -29.39 66.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.466 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.504 ' C ' ' H ' ' A' ' 54' ' ' LYS . . . -80.38 -67.23 0.79 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.492 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -47.99 -13.06 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.407 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.504 ' H ' ' C ' ' A' ' 52' ' ' ALA . 59.6 tttp -46.58 -72.87 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.71 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.0 p -62.71 109.43 1.41 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.578 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 46.9 mtpt -87.66 -34.08 18.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.61 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -77.81 88.48 4.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.601 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 59' ' ' LYS . 74.2 mttt -81.55 -2.28 49.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.487 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 58' ' ' LYS . 16.8 pttp 31.21 59.67 0.26 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.206 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 91.8 mtt-85 . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.499 179.911 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.679 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.8 t -84.26 170.14 14.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.763 0.316 . . . . 0.0 110.602 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -97.09 103.96 15.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.405 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 30.6 mtpt -87.89 -49.88 6.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.681 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -126.7 155.24 42.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.49 -179.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -155.04 112.4 3.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.326 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.2 mt -125.95 62.49 1.24 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.431 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.8 t -40.28 -50.0 2.74 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.945 0.402 . . . . 0.0 110.408 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.21 128.21 2.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.74 179.358 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.522 ' CG ' ' OE2' ' A' ' 22' ' ' GLU . 2.8 m0 -121.33 167.34 12.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.09 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.518 ' H ' ' CD ' ' A' ' 22' ' ' GLU . 46.5 mmtt -99.97 165.33 11.59 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.809 0.337 . . . . 0.0 110.397 179.745 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -67.36 -43.4 81.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.659 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.83 -55.11 36.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.181 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.522 ' OE2' ' CG ' ' A' ' 18' ' ' TRP . 14.7 pt-20 -66.41 -38.78 88.24 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.14 -179.403 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.0 mt -54.24 -56.32 19.52 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.212 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 58.6 ttt180 -63.12 -49.2 75.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.712 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.466 ' O ' ' OG1' ' A' ' 29' ' ' THR . 23.7 t70 -55.74 -53.94 50.42 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.707 -179.766 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' A' ' 22' ' ' GLU . 5.5 m -58.85 -35.54 73.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.316 -179.566 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -78.12 -20.65 13.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 C-N-CA 120.427 -0.509 . . . . 0.0 110.89 -179.423 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.408 ' ND2' ' C ' ' A' ' 28' ' ' ASN . 0.0 OUTLIER -105.65 -3.84 21.75 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.976 -179.869 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.466 ' OG1' ' O ' ' A' ' 25' ' ' ASP . 34.5 p -115.55 -48.7 2.77 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.819 0.342 . . . . 0.0 110.357 179.661 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.42 168.74 11.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.171 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 44.3 t -158.37 123.84 4.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.863 0.363 . . . . 0.0 110.834 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 33' ' ' ILE . 1.7 t70 -174.58 132.85 0.36 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.099 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 32' ' ' ASP . 1.7 pt -38.59 -39.7 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.826 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.405 ' H ' HG13 ' A' ' 33' ' ' ILE . 2.5 mt-10 -74.9 -51.95 12.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.046 -179.526 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.69 -52.13 61.01 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.182 -179.54 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.2 mt -65.49 -52.94 49.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.84 -179.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.02 -47.41 68.35 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.338 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.64 -42.87 95.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.253 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 16.7 t -57.27 -52.28 65.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.007 0.432 . . . . 0.0 110.148 179.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.23 -40.66 86.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.299 179.751 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -61.11 -42.7 99.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.419 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -64.51 -41.41 96.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.436 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -60.15 -52.93 63.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.376 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 34.0 m80 -57.38 -48.35 79.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.676 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 38.8 ttm-85 -60.11 -50.5 73.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.493 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 43.4 ttt-85 -55.54 -44.51 76.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.511 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 19.5 mt -70.32 -29.52 66.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.505 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 47.7 tttp -64.59 -53.04 53.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.594 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 33.5 m -70.82 -38.25 71.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.585 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.533 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 58.5 t80 -65.36 -31.63 72.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.645 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.524 ' O ' ' ND1' ' A' ' 51' ' ' HIS . 6.3 t-80 -87.29 -32.36 19.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.587 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -84.02 -13.09 54.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.701 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.533 ' CD1' ' O ' ' A' ' 50' ' ' TYR . 0.8 OUTLIER -47.57 -19.69 0.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.612 -179.826 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.452 ' N ' ' CD1' ' A' ' 53' ' ' TRP . 36.7 tttm -45.32 -88.9 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.605 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 42.5 t -174.08 131.57 0.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.598 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.7 ttmt -69.39 164.73 22.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.43 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.428 ' O ' ' O ' ' A' ' 58' ' ' LYS . 20.4 m-80 -39.51 -74.46 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.82 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.428 ' O ' ' O ' ' A' ' 57' ' ' ASN . 3.7 mmmm 44.12 95.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.594 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -48.49 144.42 4.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.557 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 20.4 mmt85 . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 117.97 -1.014 . . . . 0.0 110.541 179.945 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.693 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.6 p -76.05 174.17 10.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.739 0.304 . . . . 0.0 110.54 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.6 mmtp -58.03 -157.75 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.417 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.5 mmmm -77.47 -70.88 0.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.505 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -124.33 151.21 44.59 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.173 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -144.47 109.74 5.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.51 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.0 mt -124.12 59.75 1.15 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.265 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.2 t -39.45 -50.64 2.13 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.932 0.396 . . . . 0.0 110.474 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.37 128.11 2.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.715 179.334 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.517 ' CG ' ' OE2' ' A' ' 22' ' ' GLU . 3.0 m0 -121.39 167.21 13.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.938 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.498 ' H ' ' CD ' ' A' ' 22' ' ' GLU . 25.0 mmtp -100.31 162.68 12.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.356 179.694 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -65.48 -40.03 92.63 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.566 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.41 -58.27 9.23 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.094 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.517 ' OE2' ' CG ' ' A' ' 18' ' ' TRP . 15.4 pt-20 -63.17 -37.52 87.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.937 -179.43 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.9 mt -55.36 -56.03 24.78 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.32 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 47.2 ttp180 -61.91 -50.16 73.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.859 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.466 ' O ' ' OG1' ' A' ' 29' ' ' THR . 13.0 t70 -56.04 -54.15 48.37 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.768 -179.667 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.429 ' OG1' ' O ' ' A' ' 22' ' ' GLU . 6.5 m -58.02 -35.77 71.74 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.48 -179.472 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -78.25 -21.37 13.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 C-N-CA 120.416 -0.514 . . . . 0.0 110.761 -179.358 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.411 ' ND2' ' CG2' ' A' ' 29' ' ' THR . 0.0 OUTLIER -105.0 -3.13 23.63 Favored 'General case' 0 N--CA 1.462 0.172 0 C-N-CA 121.013 -0.275 . . . . 0.0 110.987 -179.841 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.466 ' OG1' ' O ' ' A' ' 25' ' ' ASP . 34.9 p -116.58 -48.3 2.69 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.805 0.336 . . . . 0.0 110.348 179.669 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.41 168.76 11.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.14 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.0 t -158.45 123.99 4.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.764 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 33' ' ' ILE . 2.0 t70 -174.6 132.54 0.36 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.01 179.647 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.405 ' C ' ' O ' ' A' ' 32' ' ' ASP . 1.7 pt -38.45 -39.55 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.762 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.402 ' H ' HG13 ' A' ' 33' ' ' ILE . 2.4 mt-10 -74.97 -51.67 13.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.057 -179.633 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.81 -52.4 60.44 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.223 -179.708 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.9 mt -65.41 -52.47 53.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.862 -179.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.9 -49.07 66.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.874 0.368 . . . . 0.0 110.227 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.16 -44.91 94.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.516 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 14.0 t -55.03 -52.34 63.47 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.272 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 31.5 mtp85 -57.19 -46.19 83.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.307 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -56.98 -40.41 76.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.417 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -64.26 -46.05 85.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.44 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -61.22 -53.12 60.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.358 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 16.8 t60 -53.7 -45.37 70.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.354 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 55.3 ttp180 -60.37 -45.03 94.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.544 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.7 mmm180 -56.6 -50.8 70.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.602 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -66.56 -27.79 68.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.521 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.9 ttmt -71.61 -53.45 13.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.691 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.2 m -71.22 -37.43 66.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.501 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -65.85 -51.96 54.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.556 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.449 ' O ' ' ND1' ' A' ' 51' ' ' HIS . 14.5 t-80 -67.51 -32.27 72.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.582 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.46 -29.04 59.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.627 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.412 ' O ' ' O ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -51.67 -34.77 39.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.394 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.412 ' O ' ' O ' ' A' ' 53' ' ' TRP . 29.1 mmtm -49.17 -99.37 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.591 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.524 ' O ' ' N ' ' A' ' 57' ' ' ASN . 10.7 t -161.55 -24.09 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.542 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 27.6 mtpt 60.29 -74.92 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.566 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.524 ' N ' ' O ' ' A' ' 55' ' ' SER . 65.7 m-20 -69.11 -156.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.485 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 52.4 mttp -65.4 -136.74 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.619 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.3 ttmm 46.94 61.43 2.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.59 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 10.6 ttt85 . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.155 179.976 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.653 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.6 p -75.12 165.72 24.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.819 0.343 . . . . 0.0 110.444 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.2 mtpp -78.01 -155.94 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.438 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.7 mmmm -50.17 -60.03 3.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.573 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -132.17 157.64 43.75 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.404 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -151.0 109.58 3.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.444 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.7 mt -125.34 61.95 1.2 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.265 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 t -39.53 -50.3 2.18 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.38 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -164.42 128.11 2.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.786 179.376 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 3.2 m0 -121.42 165.58 15.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.893 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.8 mmtp -100.74 152.77 20.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.761 0.315 . . . . 0.0 110.338 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -55.7 -38.7 70.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.646 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.91 -63.1 1.42 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.222 -179.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.45 ' O ' ' OG1' ' A' ' 26' ' ' THR . 16.5 pt-20 -59.84 -33.38 71.71 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.924 -179.363 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.6 mt -58.24 -55.99 27.84 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.181 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -61.19 -50.25 73.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.788 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.463 ' O ' ' OG1' ' A' ' 29' ' ' THR . 29.1 t70 -56.17 -54.13 48.83 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.028 -179.586 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.45 ' OG1' ' O ' ' A' ' 22' ' ' GLU . 7.5 m -58.27 -35.41 71.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.422 -179.512 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -78.03 -22.1 13.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 C-N-CA 120.471 -0.492 . . . . 0.0 110.765 -179.409 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.407 ' ND2' ' CG2' ' A' ' 29' ' ' THR . 0.0 OUTLIER -104.22 -3.68 24.01 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.958 -179.668 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.463 ' OG1' ' O ' ' A' ' 25' ' ' ASP . 34.4 p -115.84 -48.56 2.75 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.938 0.399 . . . . 0.0 110.367 179.737 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.31 168.54 11.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.148 179.692 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 11.6 t -158.23 123.85 4.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.898 0.38 . . . . 0.0 110.831 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 33' ' ' ILE . 1.7 t70 -174.61 131.52 0.35 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.018 179.635 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.411 ' C ' ' O ' ' A' ' 32' ' ' ASP . 1.8 pt -38.36 -38.72 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.77 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -75.26 -51.86 12.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.986 -179.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.79 -52.59 59.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.945 0.402 . . . . 0.0 110.151 -179.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.7 mt -64.88 -52.12 58.26 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.965 -179.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.81 -49.16 66.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.968 0.414 . . . . 0.0 110.18 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.26 -44.47 95.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.268 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 14.4 t -56.59 -51.47 68.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.18 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 50.4 ttt180 -55.6 -50.02 71.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.315 179.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -54.66 -46.72 74.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.251 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -56.93 -42.6 80.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.247 179.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -58.88 -53.02 63.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.131 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -53.57 -42.23 67.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.35 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 29.6 ttt85 -64.85 -47.72 76.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.683 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.9 tpt180 -62.06 -45.79 91.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.737 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -67.79 -28.98 68.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.317 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.3 ttmt -68.62 -53.16 24.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.652 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 28.1 m -70.25 -38.04 73.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.532 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -63.41 -42.16 98.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.417 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 36.5 t60 -71.86 -39.0 69.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.531 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -79.03 -15.99 57.47 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.587 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -47.52 -56.64 6.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.5 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.47 ' O ' ' O ' ' A' ' 55' ' ' SER . 6.2 pttm -77.76 -93.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.493 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.518 ' C ' ' H ' ' A' ' 57' ' ' ASN . 2.6 t 57.9 127.82 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.679 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.77 24.64 0.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.495 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.528 HD21 ' N ' ' A' ' 59' ' ' LYS . 0.3 OUTLIER -165.84 128.48 2.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.573 179.886 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.0 mptt -88.69 54.14 2.93 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.593 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.528 ' N ' HD21 ' A' ' 57' ' ' ASN . 35.0 ttpt -78.61 90.56 4.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.608 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 62.5 mtm180 . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 117.957 -1.021 . . . . 0.0 110.542 -179.995 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.68 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.2 t -63.47 176.42 0.84 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.731 0.3 . . . . 0.0 110.524 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -149.49 7.17 0.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.474 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 29.9 mtmm -59.92 -47.69 84.74 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.532 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -130.55 150.6 51.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.477 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -149.55 109.76 4.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.286 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.9 mt -122.65 59.99 1.03 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.442 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.8 t -40.3 -50.09 2.77 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.959 0.409 . . . . 0.0 110.254 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -164.56 128.21 2.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.541 179.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 3.3 m0 -121.29 165.7 15.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.922 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.2 mmtp -101.11 153.17 19.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.395 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 58.6 t80 -55.89 -38.55 70.34 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.663 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.01 -63.18 1.4 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.153 -179.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.45 ' O ' ' OG1' ' A' ' 26' ' ' THR . 16.2 pt-20 -59.83 -33.65 72.05 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.866 -0.334 . . . . 0.0 110.947 -179.395 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.5 mt -58.11 -56.03 27.29 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.295 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 55.2 ttp180 -61.43 -50.12 74.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.774 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.457 ' O ' ' OG1' ' A' ' 29' ' ' THR . 18.9 t70 -56.13 -54.08 49.41 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.972 -179.62 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.45 ' OG1' ' O ' ' A' ' 22' ' ' GLU . 8.7 m -58.39 -35.43 72.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.347 -179.534 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -77.68 -22.2 13.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 C-N-CA 120.591 -0.443 . . . . 0.0 110.8 -179.472 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.405 ' ND2' ' CG2' ' A' ' 29' ' ' THR . 0.0 OUTLIER -104.31 -3.63 23.96 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.007 -179.705 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.457 ' OG1' ' O ' ' A' ' 25' ' ' ASP . 35.4 p -116.08 -48.14 2.74 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.862 0.363 . . . . 0.0 110.472 179.69 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.44 167.94 11.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.23 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 49.2 t -158.25 123.84 4.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.96 0.409 . . . . 0.0 110.76 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -174.59 132.77 0.36 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.044 179.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.407 HG13 ' H ' ' A' ' 34' ' ' GLU . 1.7 pt -38.79 -39.78 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.702 -179.783 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.407 ' H ' HG13 ' A' ' 33' ' ' ILE . 2.4 mt-10 -75.19 -51.75 12.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.101 -179.611 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.77 -52.32 60.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.871 0.367 . . . . 0.0 110.191 -179.745 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 30.3 mt -65.43 -52.01 56.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.834 -179.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.86 -49.32 66.04 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.236 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.44 -46.23 89.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.3 179.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 11.1 t -55.62 -51.8 65.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.157 179.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.671 ' NH2' ' HE2' ' A' ' 44' ' ' HIS . 73.7 ttt-85 -55.12 -48.26 73.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.45 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 40.5 mm-40 -54.6 -47.32 73.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.579 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -58.81 -45.04 90.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.566 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -58.89 -53.31 59.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.358 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.671 ' HE2' ' NH2' ' A' ' 40' ' ' ARG . 1.2 m80 -52.3 -46.72 66.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.425 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 38.2 ttt85 -66.22 -36.96 84.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.596 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 20.1 ttt85 -66.63 -47.96 70.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.709 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.4 mp -67.78 -32.07 72.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.376 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.1 tttm -66.93 -53.33 32.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.935 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.54 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 14.9 m -71.44 -37.1 63.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.631 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 92.4 t80 -63.63 -39.8 95.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.616 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 33.5 t60 -80.49 -30.63 37.36 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.579 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.01 -40.89 82.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.707 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.54 ' CD1' ' O ' ' A' ' 49' ' ' VAL . 30.4 m0 -47.57 -35.17 8.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.454 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.501 ' CD ' ' N ' ' A' ' 54' ' ' LYS . 3.4 mptp? -72.77 -38.8 67.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.523 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.419 ' O ' ' O ' ' A' ' 54' ' ' LYS . 4.9 m 59.2 120.85 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.57 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 28.2 mtpt -76.79 -67.86 0.66 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.503 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.591 HD21 ' N ' ' A' ' 57' ' ' ASN . 0.1 OUTLIER -165.33 -179.94 5.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.562 -179.932 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.43 ' CG ' ' H ' ' A' ' 59' ' ' LYS . 0.7 OUTLIER -154.43 -122.3 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.541 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.43 ' H ' ' CG ' ' A' ' 58' ' ' LYS . 1.0 OUTLIER -80.34 178.33 8.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.586 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 19.4 ttm-85 . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.619 -179.945 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.59 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.401 ' OG1' ' N ' ' A' ' 11' ' ' LYS . 4.1 t -74.43 178.45 5.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.72 0.295 . . . . 0.0 110.595 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.401 ' N ' ' OG1' ' A' ' 10' ' ' THR . 40.1 mttm -131.65 82.66 2.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.534 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.9 mtmm -86.1 -45.64 11.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.597 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -129.29 144.53 51.26 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.7 -179.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.496 ' OD1' ' N ' ' A' ' 14' ' ' ASP . 14.1 p-10 -130.97 112.93 13.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.419 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 16' ' ' SER . 20.3 mt -128.1 62.86 1.42 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.273 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 15' ' ' LEU . 1.9 t -38.97 -51.27 1.8 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.365 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -164.37 128.03 2.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.875 179.344 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.534 ' CG ' ' OE2' ' A' ' 22' ' ' GLU . 2.8 m0 -122.02 161.21 23.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.849 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.0 mptt -93.83 161.94 14.12 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.863 0.363 . . . . 0.0 110.194 179.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.601 ' CD1' ' N ' ' A' ' 21' ' ' ALA . 38.9 p90 -64.63 -40.83 96.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.724 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.601 ' N ' ' CD1' ' A' ' 20' ' ' TYR . . . -56.34 -58.91 5.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.201 -179.518 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.534 ' OE2' ' CG ' ' A' ' 18' ' ' TRP . 20.7 pt-20 -63.57 -38.26 90.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.076 -179.344 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.5 mt -53.69 -56.22 19.26 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.226 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.7 ttt-85 -62.86 -49.13 76.1 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.791 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.466 ' O ' ' OG1' ' A' ' 29' ' ' THR . 13.0 t70 -56.19 -53.92 51.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 -179.776 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.409 ' OG1' ' O ' ' A' ' 22' ' ' GLU . 5.3 m -58.38 -35.7 72.38 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.344 -179.661 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -77.99 -21.14 13.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.744 -179.473 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.414 ' ND2' ' C ' ' A' ' 28' ' ' ASN . 0.0 OUTLIER -105.58 -3.23 22.59 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.081 -179.731 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.466 ' OG1' ' O ' ' A' ' 25' ' ' ASP . 34.0 p -116.23 -48.58 2.71 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.932 0.396 . . . . 0.0 110.32 179.716 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.456 ' H ' ' HG1' ' A' ' 29' ' ' THR . 0.4 OUTLIER -92.44 166.21 12.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.102 179.807 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 42.2 t -156.85 123.67 5.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.979 0.418 . . . . 0.0 110.693 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 33' ' ' ILE . 4.4 t0 -174.66 131.1 0.34 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.956 179.709 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.414 ' C ' ' O ' ' A' ' 32' ' ' ASP . 1.8 pt -38.07 -38.48 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.753 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -75.62 -51.78 12.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.051 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.04 -52.45 60.8 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.042 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 25.1 mt -64.84 -49.66 69.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.95 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.97 -49.49 66.03 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.109 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.3 -44.26 92.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.204 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 10.2 t -55.94 -50.11 71.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.225 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -59.0 -46.03 89.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.279 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -54.75 -41.73 70.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.239 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -64.63 -49.07 72.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.411 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -55.04 -52.93 61.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.217 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 9.5 t-80 -55.13 -48.94 72.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.413 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 31.7 ttp180 -60.71 -54.13 49.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.556 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 -50.28 -40.71 49.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.415 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 19.5 mt -69.17 -37.7 78.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.491 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.1 ttpp -60.44 -53.11 61.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.697 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 26.8 m -66.99 -37.63 79.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.657 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 93.5 t80 -59.75 -59.37 5.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.647 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 75.6 m-70 -61.64 -38.33 87.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.552 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.7 -46.63 89.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.618 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -47.53 -24.87 0.95 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.49 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 46.0 mmtt -120.9 88.82 3.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.338 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 26.9 t -81.69 -119.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.601 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.5 mtpp -144.47 60.65 1.34 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.447 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -62.81 -80.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.563 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 48.2 mttp -69.52 -137.93 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.48 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? 56.41 89.78 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.371 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 73.5 mtt85 . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.069 -0.967 . . . . 0.0 110.635 179.947 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.671 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 15.3 t -50.54 172.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.741 0.305 . . . . 0.0 110.435 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.5 mtpm? -140.02 92.92 2.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.511 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -45.85 -53.87 9.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.703 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -130.69 142.69 50.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.508 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -129.27 111.94 13.38 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.584 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 16' ' ' SER . 29.5 mt -125.05 60.29 1.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.132 179.65 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 15' ' ' LEU . 1.9 t -36.75 -51.83 0.89 Allowed 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.506 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -164.28 127.88 2.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.987 -0.552 . . . . 0.0 109.86 179.288 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.533 ' CG ' ' OE2' ' A' ' 22' ' ' GLU . 3.4 m0 -122.54 161.97 22.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 0.0 109.884 -179.688 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.533 ' H ' ' CD ' ' A' ' 22' ' ' GLU . 54.4 mmtt -97.75 164.03 12.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.911 0.386 . . . . 0.0 110.442 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 20.4 p90 -66.33 -38.04 86.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.611 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.45 -56.87 16.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.023 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.533 ' OE2' ' CG ' ' A' ' 18' ' ' TRP . 11.6 pt-20 -63.94 -37.47 87.54 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.804 -179.505 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.7 mt -56.07 -55.75 29.21 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.079 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.6 tpp85 -60.61 -51.35 69.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.77 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.482 ' O ' ' OG1' ' A' ' 29' ' ' THR . 13.8 t70 -56.08 -54.18 48.11 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.008 -179.517 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.417 ' OG1' ' O ' ' A' ' 22' ' ' GLU . 6.9 m -58.25 -35.24 71.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.569 -179.266 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -78.99 -21.24 12.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 C-N-CA 120.438 -0.505 . . . . 0.0 110.72 -179.412 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.418 ' ND2' ' C ' ' A' ' 28' ' ' ASN . 0.0 OUTLIER -105.53 -2.29 23.77 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.963 -179.778 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.482 ' OG1' ' O ' ' A' ' 25' ' ' ASP . 35.6 p -117.91 -48.34 2.56 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.816 0.341 . . . . 0.0 110.353 179.654 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.5 167.42 12.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.131 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 38.3 t -158.36 123.71 4.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.768 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 33' ' ' ILE . 2.4 t0 -174.58 131.62 0.35 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.844 -0.617 . . . . 0.0 109.954 179.71 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.409 ' C ' ' O ' ' A' ' 32' ' ' ASP . 1.8 pt -38.83 -38.47 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.643 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -75.5 -51.75 12.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.935 -179.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.06 -52.67 60.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.887 0.375 . . . . 0.0 110.199 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.3 mt -64.62 -50.23 67.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.654 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.03 -45.55 68.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.979 0.418 . . . . 0.0 110.004 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.27 -40.6 81.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.239 179.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 8.9 t -60.37 -50.58 73.04 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.157 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 58.8 mtt-85 -58.93 -49.85 76.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.091 179.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -59.69 -35.72 75.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.189 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -69.23 -35.96 76.7 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.258 179.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.27 -53.33 20.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.078 179.761 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 -59.3 -38.76 81.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.322 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 46.3 ttt85 -62.83 -51.66 66.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.473 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 32.6 ttm-85 -59.89 -42.79 94.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.657 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 14.9 mt -70.13 -30.5 67.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.534 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 43.7 tttm -67.06 -53.2 33.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.562 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 29.1 m -69.05 -38.55 78.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.536 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -62.9 -39.76 95.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.571 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 10.4 t-80 -78.43 -30.66 47.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.555 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.46 -55.45 5.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.582 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -47.49 -32.02 4.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.583 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 74.6 tttt -80.24 -95.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.714 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.7 p 41.38 72.07 0.18 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.749 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 35.5 mtpt -93.59 126.93 39.01 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.552 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -81.39 -102.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.571 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 50.2 pttt -166.75 35.47 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.609 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 48.0 pttt -152.73 133.56 13.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.599 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 42.3 mtp180 . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 118.068 -0.968 . . . . 0.0 110.56 -179.973 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.722 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.5 p -70.77 156.85 39.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.735 0.302 . . . . 0.0 110.561 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.0 mttm -120.0 -151.33 0.48 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.602 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.3 mmpt? -90.33 -62.16 1.52 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.608 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -123.72 148.38 46.63 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.47 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -139.41 111.67 7.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.385 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 16' ' ' SER . 14.0 mt -125.79 61.6 1.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.18 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 15' ' ' LEU . 1.7 t -36.56 -51.18 0.83 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.663 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 39.9 tptt -164.2 128.23 2.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.939 179.378 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.536 ' CG ' ' OE2' ' A' ' 22' ' ' GLU . 2.9 m0 -122.45 159.27 27.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.955 -179.739 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.433 ' H ' ' CD ' ' A' ' 22' ' ' GLU . 7.1 mptt -92.99 163.29 13.72 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.401 179.649 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -65.21 -41.29 94.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.624 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.09 -58.06 9.51 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.206 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.536 ' OE2' ' CG ' ' A' ' 18' ' ' TRP . 15.5 pt-20 -63.99 -39.29 93.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.135 -179.365 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.5 mt -53.26 -56.01 19.96 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.56 -0.456 . . . . 0.0 110.271 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 -62.75 -50.69 70.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.819 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.464 ' O ' ' OG1' ' A' ' 29' ' ' THR . 8.4 t70 -55.41 -53.96 49.7 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.944 -179.674 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' A' ' 22' ' ' GLU . 5.3 m -58.53 -35.79 72.83 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.375 -179.479 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -78.41 -20.6 13.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 120.444 -0.503 . . . . 0.0 110.794 -179.442 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.417 ' ND2' ' C ' ' A' ' 28' ' ' ASN . 0.0 OUTLIER -105.9 -2.87 22.48 Favored 'General case' 0 N--CA 1.463 0.191 0 C-N-CA 120.956 -0.297 . . . . 0.0 111.03 -179.824 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.48 ' HG1' ' H ' ' A' ' 30' ' ' SER . 34.8 p -116.95 -48.42 2.65 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.805 0.336 . . . . 0.0 110.388 179.553 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.48 ' H ' ' HG1' ' A' ' 29' ' ' THR . 0.4 OUTLIER -91.62 168.79 11.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.172 179.855 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 42.8 t -158.43 123.74 4.38 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.93 0.395 . . . . 0.0 110.796 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 33' ' ' ILE . 2.3 t70 -174.65 131.32 0.34 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.915 179.716 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.414 ' C ' ' O ' ' A' ' 32' ' ' ASP . 1.8 pt -38.01 -38.61 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.737 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -75.28 -52.2 11.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.87 -179.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.05 -52.45 60.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.94 0.4 . . . . 0.0 110.235 -179.783 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 25.6 mt -64.58 -52.04 59.64 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.968 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.0 -50.98 63.11 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.261 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.59 -46.33 90.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.291 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 12.1 t -53.36 -49.69 66.64 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.194 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.667 ' NH2' ' HE2' ' A' ' 44' ' ' HIS . 69.8 ttt-85 -58.93 -46.46 87.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.42 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -54.8 -40.17 69.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.36 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -65.81 -50.77 63.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.48 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -53.8 -50.99 64.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.22 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.667 ' HE2' ' NH2' ' A' ' 40' ' ' ARG . 6.1 m80 -58.69 -45.56 89.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.566 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 51.0 ttt85 -57.48 -52.77 64.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.553 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.63 -43.14 99.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.448 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.5 tp -70.91 -29.93 66.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.524 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 44' ' ' HIS . 81.3 tttt -68.57 -53.35 23.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.647 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 19.7 m -68.1 -36.7 76.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.495 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -62.63 -48.3 79.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.492 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 50.6 t-80 -70.01 -32.49 70.69 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.511 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.561 ' C ' ' H ' ' A' ' 54' ' ' LYS . . . -68.75 -38.12 79.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.529 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -69.61 15.29 0.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.609 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.561 ' H ' ' C ' ' A' ' 52' ' ' ALA . 48.1 pttt -40.01 -44.25 1.7 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.791 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.436 ' N ' ' CG ' ' A' ' 54' ' ' LYS . 1.6 t 170.54 106.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.621 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -144.15 -56.0 0.36 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.434 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.4 m120 45.16 39.9 4.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.66 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 35.6 mttp 50.45 97.94 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.555 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.0 ttmt -74.23 104.05 4.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.591 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 73.7 mtt-85 . . . . . 0 C--O 1.219 -0.543 0 CA-C-O 118.022 -0.989 . . . . 0.0 110.551 179.992 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.687 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.7 t -68.33 177.32 2.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.779 0.323 . . . . 0.0 110.592 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.1 mttp -61.15 -143.68 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.612 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 19.4 mtpp -67.9 -61.59 1.8 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.63 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -127.46 155.59 43.46 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.486 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -153.67 109.6 3.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.236 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.0 mt -123.11 58.61 1.1 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.394 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.3 t -39.26 -49.71 1.93 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.374 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.659 ' HZ3' HH22 ' A' ' 46' ' ' ARG . 40.3 tptt -164.14 128.16 2.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.717 179.379 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.528 ' CG ' ' OE2' ' A' ' 22' ' ' GLU . 2.9 m0 -122.12 165.33 16.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.782 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.448 ' H ' ' CD ' ' A' ' 22' ' ' GLU . 21.9 mmtp -96.87 158.7 15.3 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 179.517 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -63.09 -38.14 89.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.873 0.368 . . . . 0.0 110.381 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.72 -60.52 3.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.101 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.528 ' OE2' ' CG ' ' A' ' 18' ' ' TRP . 18.3 pt-20 -61.09 -35.84 78.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.724 -179.431 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.3 mt -56.48 -55.94 27.47 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.08 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 52.6 ttt85 -61.81 -50.5 72.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.701 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.464 ' O ' ' OG1' ' A' ' 29' ' ' THR . 24.8 t70 -55.86 -54.22 47.26 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.993 -179.618 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.428 ' OG1' ' O ' ' A' ' 22' ' ' GLU . 7.5 m -57.76 -36.05 71.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.332 -179.573 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.413 ' CD1' ' SG ' ' A' ' 39' ' ' CYS . 0.4 OUTLIER -77.37 -21.75 14.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 C-N-CA 120.556 -0.457 . . . . 0.0 110.814 -179.485 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.424 ' ND2' ' C ' ' A' ' 28' ' ' ASN . 0.0 OUTLIER -105.81 -2.0 23.64 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.03 -179.655 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.464 ' OG1' ' O ' ' A' ' 25' ' ' ASP . 34.2 p -117.29 -48.48 2.62 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.789 0.328 . . . . 0.0 110.332 179.657 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.55 168.9 10.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.207 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 44.1 t -158.38 124.01 4.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.876 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -174.47 133.5 0.38 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.113 179.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.403 HG13 ' H ' ' A' ' 34' ' ' GLU . 1.6 pt -39.03 -39.84 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.786 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.403 ' H ' HG13 ' A' ' 33' ' ' ILE . 2.2 mt-10 -74.57 -51.68 13.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.964 -179.639 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.06 -52.35 61.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.771 0.32 . . . . 0.0 110.271 -179.687 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 27.1 mt -66.07 -49.82 66.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.039 -179.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.81 -51.23 61.62 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.305 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.61 -50.79 68.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.391 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.413 ' SG ' ' CD1' ' A' ' 27' ' ' ILE . 24.3 t -51.14 -49.63 60.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.371 179.75 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 18.0 mtp-105 -58.82 -47.14 85.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.418 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -54.78 -37.8 66.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.422 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 -67.56 -48.62 66.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.425 179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -58.09 -52.91 63.57 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.353 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 -61.29 -43.92 98.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.429 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 52.9 ttt85 -57.56 -46.84 83.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.441 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.659 HH22 ' HZ3' ' A' ' 17' ' ' LYS . 15.4 tpp180 -61.63 -47.01 87.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.63 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.5 mt -69.44 -27.6 65.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.333 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -68.72 -53.23 23.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.631 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 23.6 m -68.76 -34.44 64.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.569 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -65.9 -43.81 87.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.639 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 27.5 m80 -77.72 -29.5 51.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.595 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.05 -61.91 1.65 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.64 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 24.9 m95 -57.87 -17.73 18.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.606 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.43 -25.39 50.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.476 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 38.3 t -62.89 -48.88 77.07 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.57 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 21.5 mtpp -71.16 69.63 0.52 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.599 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 48.87 -104.7 0.13 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.617 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 17.7 tttm -168.69 94.71 0.35 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.456 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 76.8 mttt -68.72 66.54 0.13 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.873 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 44.7 mtt85 . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 117.946 -1.026 . . . . 0.0 110.349 179.984 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.674 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.7 p -77.82 172.59 13.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.727 0.299 . . . . 0.0 110.526 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.9 mttp -147.16 111.67 5.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.622 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 30.0 mtpt -79.85 -43.63 21.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.557 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -134.08 151.52 51.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.504 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -155.65 110.29 2.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.199 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.8 mt -122.91 60.88 1.02 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.404 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.6 t -40.63 -49.52 3.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.883 0.373 . . . . 0.0 110.301 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -164.49 127.95 2.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.925 -0.579 . . . . 0.0 109.726 179.309 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.541 ' CG ' ' OE2' ' A' ' 22' ' ' GLU . 3.3 m0 -121.97 161.22 23.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.899 -179.757 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.8 mptt -94.8 159.28 15.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.224 179.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.7 p90 -62.3 -38.47 89.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.488 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.99 -62.21 1.98 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.226 -179.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.541 ' OE2' ' CG ' ' A' ' 18' ' ' TRP . 20.1 pt-20 -60.59 -36.7 79.18 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.853 -179.338 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.3 mt -54.71 -56.04 23.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.886 0.374 . . . . 0.0 110.187 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 -61.5 -50.61 72.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.766 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.464 ' O ' ' OG1' ' A' ' 29' ' ' THR . 19.7 t70 -55.86 -54.05 49.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.913 -179.601 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.421 ' OG1' ' O ' ' A' ' 22' ' ' GLU . 5.6 m -58.2 -35.57 71.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.379 -179.385 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -77.85 -21.83 13.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.862 -179.511 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.407 ' ND2' ' CG2' ' A' ' 29' ' ' THR . 0.0 OUTLIER -104.69 -3.23 23.94 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.935 -179.735 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.47 ' HG1' ' H ' ' A' ' 30' ' ' SER . 34.1 p -116.14 -48.21 2.74 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.783 0.325 . . . . 0.0 110.477 179.673 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.47 ' H ' ' HG1' ' A' ' 29' ' ' THR . 0.4 OUTLIER -92.98 168.22 11.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.201 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 43.7 t -158.32 123.74 4.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.843 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 33' ' ' ILE . 4.1 t0 -174.5 133.41 0.38 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.11 179.787 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.409 HG13 ' H ' ' A' ' 34' ' ' GLU . 1.7 pt -38.79 -40.0 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.689 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.409 ' H ' HG13 ' A' ' 33' ' ' ILE . 2.5 mt-10 -74.63 -52.29 12.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.091 -179.647 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.78 -52.52 59.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.862 0.363 . . . . 0.0 110.23 -179.575 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 29.6 mt -65.13 -52.3 56.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.962 -179.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.05 -49.07 67.09 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.31 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.33 -46.47 86.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.456 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 14.1 t -53.55 -50.6 65.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.177 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 48.9 ttt85 -58.4 -47.63 83.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.293 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -55.02 -39.77 69.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.442 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -65.4 -47.52 76.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.561 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.74 -53.3 59.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.177 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 29.2 t60 -56.66 -43.61 80.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.408 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 57.5 ttp85 -63.95 -51.37 64.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.518 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 21.4 ttp180 -49.48 -51.93 32.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.497 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.0 mp -64.04 -35.58 81.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.277 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 30.1 tptt -55.84 -52.44 64.03 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.644 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.543 ' O ' ' N ' ' A' ' 53' ' ' TRP . 27.7 m -71.63 -31.95 43.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.645 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 42.8 t80 -58.02 -43.48 86.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.541 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -89.64 -24.55 21.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.745 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -97.81 5.4 49.15 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.698 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.543 ' N ' ' O ' ' A' ' 49' ' ' VAL . 0.4 OUTLIER -66.51 -8.31 25.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.321 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.416 ' HG3' ' H ' ' A' ' 55' ' ' SER . 1.0 OUTLIER -71.45 -68.24 0.46 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.463 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.416 ' H ' ' HG3' ' A' ' 54' ' ' LYS . 50.5 p -81.57 84.08 6.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.736 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.491 ' NZ ' ' CE3' ' A' ' 53' ' ' TRP . 2.1 tppt? -86.0 137.19 32.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.414 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.492 ' C ' ' H ' ' A' ' 59' ' ' LYS . 94.2 m-20 -81.31 6.09 15.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.71 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.1 mmmm -75.44 36.18 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.536 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.492 ' H ' ' C ' ' A' ' 57' ' ' ASN . 82.8 mttt -149.59 -166.66 2.61 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.476 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.474 ' CD ' ' N ' ' A' ' 60' ' ' ARG . 0.9 OUTLIER . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.489 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.631 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.402 ' H ' ' HG1' ' A' ' 10' ' ' THR . 1.6 p -71.51 171.08 11.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.74 0.305 . . . . 0.0 110.483 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 52.6 mttm -60.81 103.91 0.31 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.571 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.415 ' HG3' ' H ' ' A' ' 13' ' ' TYR . 12.4 ptmt -41.13 -50.88 3.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.664 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.415 ' H ' ' HG3' ' A' ' 12' ' ' LYS . 5.5 m-85 -137.66 149.7 46.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.127 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -140.15 109.66 6.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.475 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 16' ' ' SER . 17.9 mt -126.63 56.97 1.45 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.308 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 15' ' ' LEU . 4.2 t -38.49 -50.77 1.57 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.993 0.425 . . . . 0.0 110.452 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.9 tmtp? -164.4 128.33 2.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.57 179.179 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 2.9 m0 -120.69 164.09 17.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.093 -179.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.5 mmmm -97.61 149.27 22.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.322 179.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -53.22 -39.08 63.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.585 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.22 -63.0 1.42 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.143 -179.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.462 ' O ' ' OG1' ' A' ' 26' ' ' THR . 17.3 pt-20 -61.04 -33.54 73.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.077 -179.312 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.3 mt -58.03 -56.25 24.38 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.383 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.7 ttm180 -63.95 -47.47 80.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.639 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.457 ' O ' ' OG1' ' A' ' 29' ' ' THR . 32.1 t70 -56.51 -53.94 51.68 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.683 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.462 ' OG1' ' O ' ' A' ' 22' ' ' GLU . 10.0 m -58.56 -35.56 72.56 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.273 -179.775 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.418 ' CD1' ' SG ' ' A' ' 39' ' ' CYS . 0.5 OUTLIER -77.2 -21.98 14.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 C-N-CA 120.496 -0.482 . . . . 0.0 110.751 -179.521 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.404 ' ND2' ' CG2' ' A' ' 29' ' ' THR . 0.0 OUTLIER -105.09 -3.52 23.0 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.997 -179.622 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.457 ' OG1' ' O ' ' A' ' 25' ' ' ASP . 35.3 p -116.48 -48.31 2.7 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.746 0.307 . . . . 0.0 110.351 179.736 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.58 168.81 11.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.195 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 9.6 t -158.45 123.86 4.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.998 0.427 . . . . 0.0 110.771 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 33' ' ' ILE . 1.7 t70 -174.65 131.85 0.35 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.987 179.671 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.401 ' C ' ' O ' ' A' ' 32' ' ' ASP . 1.8 pt -38.77 -39.16 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.653 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.4 ' H ' HG13 ' A' ' 33' ' ' ILE . 2.1 mt-10 -75.24 -51.21 13.85 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.072 -179.528 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.97 -52.42 60.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.862 0.363 . . . . 0.0 110.122 -179.698 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.8 mt -65.67 -50.63 64.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.965 -179.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.93 -48.73 67.09 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.287 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.75 -43.72 88.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.416 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.418 ' SG ' ' CD1' ' A' ' 27' ' ' ILE . 22.4 t -58.56 -51.01 71.72 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.396 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -57.74 -49.0 78.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.529 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -54.94 -40.98 70.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.575 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -68.37 -36.64 79.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.556 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.34 -53.11 48.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.477 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 35.7 m-70 -60.9 -46.89 88.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.496 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 56.4 ttt180 -55.47 -48.2 74.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.586 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 54.5 ttp180 -64.19 -39.3 93.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.525 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 22.7 mt -71.61 -33.91 69.39 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.656 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.0 tmtt? -66.8 -53.64 30.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.532 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.52 ' O ' ' N ' ' A' ' 53' ' ' TRP . 19.4 m -67.32 -39.54 83.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.686 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -65.36 -42.29 92.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.708 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 48.2 t60 -75.93 -30.28 58.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.666 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.484 ' C ' ' H ' ' A' ' 54' ' ' LYS . . . -97.29 -2.09 43.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.707 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.52 ' N ' ' O ' ' A' ' 49' ' ' VAL . 0.5 OUTLIER -47.59 -14.41 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.574 -179.899 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.484 ' H ' ' C ' ' A' ' 52' ' ' ALA . 34.6 mmtt 39.76 95.71 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.851 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.417 ' C ' ' H ' ' A' ' 57' ' ' ASN . 58.5 m -152.26 112.99 4.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.467 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.412 ' O ' ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -53.49 -11.88 0.39 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.375 -179.909 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.51 ' CG ' ' H ' ' A' ' 58' ' ' LYS . 62.9 t30 46.49 -172.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.453 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.51 ' H ' ' CG ' ' A' ' 57' ' ' ASN . 28.4 tptt -157.54 122.45 4.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.581 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 32.1 pttt -98.12 75.17 2.29 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.541 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 65.3 mtm180 . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.531 179.978 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.636 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.2 p -76.61 163.64 26.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.817 0.342 . . . . 0.0 110.52 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 44.8 mtmt -84.04 32.35 0.49 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.574 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.9 mmmm -51.69 -54.45 28.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.548 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -138.41 150.54 46.61 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.375 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -148.28 109.69 4.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.421 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.1 mt -123.13 59.9 1.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.362 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.8 t -38.81 -50.49 1.69 Allowed 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.398 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.9 tptp -164.26 128.09 2.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.741 179.326 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.523 ' CG ' ' OE2' ' A' ' 22' ' ' GLU . 3.3 m0 -121.78 165.59 15.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.954 -179.74 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.525 ' H ' ' CD ' ' A' ' 22' ' ' GLU . 25.7 mmtp -100.38 163.68 12.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.81 0.338 . . . . 0.0 110.391 179.705 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 92.0 t80 -65.8 -39.8 91.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.624 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.95 -57.26 13.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.082 -179.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.525 ' CD ' ' H ' ' A' ' 19' ' ' LYS . 11.6 pt-20 -63.87 -37.43 87.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.991 -179.507 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.0 mt -55.7 -55.94 26.31 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.349 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -61.79 -49.97 74.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.769 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.468 ' O ' ' OG1' ' A' ' 29' ' ' THR . 21.2 t70 -55.99 -54.09 48.99 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.796 -179.677 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.423 ' OG1' ' O ' ' A' ' 22' ' ' GLU . 6.5 m -58.36 -35.44 71.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.435 -179.486 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -78.11 -21.43 13.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.768 -179.554 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.41 ' ND2' ' C ' ' A' ' 28' ' ' ASN . 0.0 OUTLIER -105.5 -2.76 23.26 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-N 116.654 -0.248 . . . . 0.0 111.059 -179.747 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.48 ' HG1' ' H ' ' A' ' 30' ' ' SER . 34.5 p -116.94 -48.25 2.66 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.858 0.361 . . . . 0.0 110.374 179.667 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.48 ' H ' ' HG1' ' A' ' 29' ' ' THR . 0.4 OUTLIER -92.09 168.14 11.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.118 179.856 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 35.8 t -158.32 123.83 4.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.691 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 33' ' ' ILE . 1.9 t0 -174.63 131.9 0.35 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.949 179.652 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.413 ' C ' ' O ' ' A' ' 32' ' ' ASP . 1.8 pt -38.37 -39.07 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.678 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.402 ' H ' HG13 ' A' ' 33' ' ' ILE . 2.2 mt-10 -75.11 -52.23 11.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.003 -179.669 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.03 -52.62 60.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.901 0.382 . . . . 0.0 110.167 -179.821 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 29.8 mt -64.13 -52.27 59.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.822 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.02 -49.87 65.37 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.081 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.1 -48.87 79.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.424 179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 8.1 t -51.42 -47.79 62.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.128 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.33 -47.31 86.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.363 179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -54.78 -36.75 65.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.309 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -69.27 -47.59 64.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.452 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -57.39 -52.52 65.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.264 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 79.3 m-70 -58.18 -50.08 74.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.495 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -59.36 -54.9 41.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.546 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 55.8 mmt-85 -51.43 -37.57 49.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.518 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.6 tp -71.45 -38.89 71.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.748 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -65.47 -53.29 44.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.718 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 26.2 m -64.19 -41.52 92.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.599 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -59.95 -45.88 91.22 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.523 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.41 ' CD2' ' O ' ' A' ' 51' ' ' HIS . 12.7 t60 -74.02 -28.15 61.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.549 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -79.26 -29.56 42.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.583 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -53.73 -53.12 56.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.293 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 56' ' ' LYS . 7.3 tmtm? -85.25 -60.41 2.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.422 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.7 t 42.13 -95.12 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.709 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 54' ' ' LYS . 32.9 ttmt -155.36 118.72 4.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.443 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.489 HD21 ' N ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -157.64 14.97 0.24 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.465 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -74.41 60.75 0.87 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.553 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 68.3 mttt -77.15 62.15 2.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.569 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 54.6 mtt180 . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 118.045 -0.979 . . . . 0.0 110.585 -179.97 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.618 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.9 t -45.19 163.65 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.79 0.329 . . . . 0.0 110.593 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.3 ptpp? -98.87 -17.71 18.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.523 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -44.35 -57.66 3.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.592 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -133.93 141.4 47.3 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.394 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -136.65 110.57 8.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.308 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 16' ' ' SER . 19.6 mt -123.76 59.46 1.13 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.308 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 15' ' ' LEU . 2.1 t -38.42 -51.38 1.55 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.378 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.6 tmtt? -164.47 128.38 2.55 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.698 179.263 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.532 ' CG ' ' OE2' ' A' ' 22' ' ' GLU . 2.6 m0 -121.33 163.67 18.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.07 -179.572 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.9 mptt -97.05 163.0 13.13 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.258 179.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.62 ' CD2' ' N ' ' A' ' 21' ' ' ALA . 52.7 p90 -63.58 -49.06 74.87 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.613 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.62 ' N ' ' CD2' ' A' ' 20' ' ' TYR . . . -50.11 -54.66 19.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.657 -179.357 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.532 ' OE2' ' CG ' ' A' ' 18' ' ' TRP . 24.4 pt-20 -68.11 -35.84 78.79 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.76 -0.376 . . . . 0.0 111.197 -179.065 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.3 mt -55.66 -56.62 18.25 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.43 -0.508 . . . . 0.0 110.563 -179.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -65.38 -47.64 75.66 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.389 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.449 ' O ' ' OG1' ' A' ' 29' ' ' THR . 24.5 t70 -54.63 -53.75 50.6 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.651 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.45 ' OG1' ' O ' ' A' ' 22' ' ' GLU . 7.2 m -59.98 -35.22 74.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.226 -179.718 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -77.61 -20.14 13.99 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 C-N-CA 120.566 -0.454 . . . . 0.0 110.866 -179.423 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -105.92 -5.74 19.42 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.979 -179.569 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.449 ' OG1' ' O ' ' A' ' 25' ' ' ASP . 35.2 p -113.84 -48.64 2.91 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.805 0.335 . . . . 0.0 110.426 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.04 168.51 11.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.179 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 44.7 t -158.32 123.7 4.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.931 0.396 . . . . 0.0 110.79 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 33' ' ' ILE . 1.1 t70 -174.63 131.55 0.35 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.977 179.689 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 32' ' ' ASP . 1.7 pt -38.44 -38.92 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.627 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -75.2 -52.26 11.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.987 -179.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.95 -52.58 60.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.876 0.369 . . . . 0.0 110.094 -179.762 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 28.0 mt -64.72 -50.79 65.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.968 -179.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.88 -49.38 65.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.962 0.41 . . . . 0.0 110.233 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.3 -46.53 83.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.391 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 12.0 t -54.47 -51.97 63.35 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.29 179.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 46.7 mtp180 -57.64 -45.58 85.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.371 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -54.72 -41.47 70.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.202 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -64.84 -48.63 73.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.373 179.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -57.13 -52.52 64.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.207 179.761 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 60.1 t60 -57.73 -41.12 81.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.572 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 58.2 ttt180 -63.06 -51.88 64.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.53 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 32.4 ttt-85 -55.25 -41.0 71.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.491 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 13.0 mt -72.91 -32.33 65.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.491 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -67.42 -53.12 31.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.508 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.409 ' O ' ' N ' ' A' ' 53' ' ' TRP . 19.2 m -67.06 -40.09 84.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.462 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.529 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 94.0 t80 -64.11 -36.06 82.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.402 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 51.3 t-80 -83.24 -32.14 26.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.513 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.451 ' C ' ' H ' ' A' ' 54' ' ' LYS . . . -87.82 -7.67 56.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.551 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.529 ' CD1' ' O ' ' A' ' 50' ' ' TYR . 0.8 OUTLIER -47.53 -15.94 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.653 -179.909 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.451 ' H ' ' C ' ' A' ' 52' ' ' ALA . 31.7 pttt -94.98 -32.7 13.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.528 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.416 ' N ' ' O ' ' A' ' 52' ' ' ALA . 8.7 t -46.57 -46.5 19.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.671 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.416 ' C ' ' H ' ' A' ' 58' ' ' LYS . 50.5 mtpt -141.76 80.12 1.71 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.532 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 47.6 p-10 -75.45 9.83 1.97 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.494 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.442 ' CG ' ' H ' ' A' ' 59' ' ' LYS . 3.4 tppt? -67.54 -129.41 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.488 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.442 ' H ' ' CG ' ' A' ' 58' ' ' LYS . 80.8 mttt -49.33 154.05 0.94 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.554 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 40.5 mtp180 . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 117.93 -1.033 . . . . 0.0 110.556 -179.976 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.715 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.4 ' H ' ' HG1' ' A' ' 10' ' ' THR . 1.9 p -73.53 165.84 24.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.765 0.316 . . . . 0.0 110.514 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.515 ' NZ ' ' OD2' ' A' ' 14' ' ' ASP . 26.3 mtmm -83.72 -164.25 0.89 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.598 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.5 mmmt -74.31 -81.04 0.07 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.501 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.43 ' O ' ' OD1' ' A' ' 14' ' ' ASP . 11.2 m-85 -123.29 140.25 53.21 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.394 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.515 ' OD2' ' NZ ' ' A' ' 11' ' ' LYS . 63.3 m-20 -138.19 109.7 7.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.262 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.3 mt -125.16 57.36 1.3 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.339 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.7 t -39.76 -50.1 2.34 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.363 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.9 tmtp? -164.41 128.38 2.57 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.604 179.294 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.527 ' CG ' ' OE2' ' A' ' 22' ' ' GLU . 2.8 m0 -120.47 163.93 17.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.023 -179.61 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.8 mptt -96.44 153.97 17.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.165 179.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -57.34 -39.31 75.63 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.935 0.397 . . . . 0.0 110.639 -179.719 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.03 -63.24 1.27 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.331 -179.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.527 ' OE2' ' CG ' ' A' ' 18' ' ' TRP . 26.6 pt-20 -60.74 -36.2 78.3 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.099 -179.311 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.5 mt -55.21 -56.09 23.88 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.143 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.8 ttm-85 -62.02 -50.57 71.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.646 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.466 ' O ' ' OG1' ' A' ' 29' ' ' THR . 15.4 t70 -55.54 -54.11 48.0 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.956 -179.566 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' A' ' 22' ' ' GLU . 5.8 m -58.44 -35.65 72.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.43 -179.476 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.442 ' CD1' ' HG ' ' A' ' 39' ' ' CYS . 0.6 OUTLIER -78.25 -21.17 13.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.802 -179.354 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.411 ' ND2' ' CG2' ' A' ' 29' ' ' THR . 0.0 OUTLIER -105.54 -3.08 22.81 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.0 -179.708 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.466 ' OG1' ' O ' ' A' ' 25' ' ' ASP . 35.3 p -116.65 -48.37 2.68 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.903 0.382 . . . . 0.0 110.357 179.662 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.14 168.23 11.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.152 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 29.3 t -158.26 123.83 4.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.891 0.376 . . . . 0.0 110.763 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 33' ' ' ILE . 2.0 t70 -174.43 133.14 0.38 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.081 179.578 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.407 HG13 ' H ' ' A' ' 34' ' ' GLU . 1.7 pt -38.44 -40.05 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.749 -179.731 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.407 ' H ' HG13 ' A' ' 33' ' ' ILE . 2.3 mt-10 -74.67 -51.74 13.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.07 -179.642 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.87 -52.54 60.15 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.23 -179.643 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.9 mt -65.43 -52.36 53.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.991 -179.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.94 -48.85 67.02 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.28 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.88 -44.13 90.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.441 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.442 ' HG ' ' CD1' ' A' ' 27' ' ' ILE . 32.1 t -57.11 -50.69 72.01 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.256 179.679 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 45.0 mtp180 -59.22 -42.97 92.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.453 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -60.36 -36.69 78.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.338 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -68.44 -46.53 69.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.484 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.49 ' CD1' ' NH2' ' A' ' 46' ' ' ARG . 0.5 OUTLIER -58.76 -51.61 69.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.388 179.918 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -61.1 -43.58 98.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.506 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -64.67 -55.39 20.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.649 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.49 ' NH2' ' CD1' ' A' ' 43' ' ' PHE . 19.0 ttp85 -53.5 -39.76 64.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.538 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.7 tp -62.53 -56.47 17.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.444 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? -61.95 -49.01 77.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.265 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 20.3 t -49.78 -47.72 22.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.394 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.434 ' O ' ' N ' ' A' ' 54' ' ' LYS . 2.6 m-85 -64.2 -59.17 4.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.268 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 13.6 m170 -48.32 -31.41 5.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.362 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -84.84 -67.18 0.82 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.463 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -54.41 -14.26 1.17 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.275 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -145.28 102.57 3.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.309 -179.905 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.5 p -128.72 -28.4 2.47 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.613 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 21.4 ttmt -171.66 93.95 0.16 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.619 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.521 ' C ' ' H ' ' A' ' 59' ' ' LYS . 4.1 m-20 -96.59 21.88 8.75 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.54 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -74.89 25.8 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.489 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.521 ' H ' ' C ' ' A' ' 57' ' ' ASN . 62.8 mttt -142.81 -175.5 4.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.45 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 15.8 mmm-85 . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.508 -179.99 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 16' ' ' SER . 13.7 mt . . . . . 0 N--CA 1.461 0.098 0 CA-C-O 120.774 0.321 . . . . 0.0 110.431 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 15' ' ' LEU . 2.0 t -39.03 -50.05 1.77 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.952 0.406 . . . . 0.0 110.415 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 44.2 tptt -164.31 128.31 2.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.787 179.202 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.51 ' CG ' ' OE2' ' A' ' 22' ' ' GLU . 2.9 m0 -121.47 165.36 15.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.969 -179.754 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.569 ' H ' ' CD ' ' A' ' 22' ' ' GLU . 19.3 mmtm -97.82 164.13 12.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.196 179.655 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -66.9 -41.88 86.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.937 0.398 . . . . 0.0 110.561 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.21 -56.07 26.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.177 -179.613 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.569 ' CD ' ' H ' ' A' ' 19' ' ' LYS . 14.5 pt-20 -64.85 -38.54 91.32 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.973 -179.479 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.4 mt -54.44 -56.24 20.72 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.308 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 55.5 ttt180 -62.67 -49.6 74.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.802 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -55.86 -54.06 49.16 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.746 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.7 m -58.29 -35.87 72.48 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.374 -179.581 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.562 HD12 ' SG ' ' A' ' 39' ' ' CYS . 0.6 OUTLIER -77.5 -21.65 14.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 120.492 -0.483 . . . . 0.0 110.809 -179.448 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.769 ' OD1' HG23 ' A' ' 29' ' ' THR . 0.2 OUTLIER -105.59 -2.96 22.88 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.064 -179.653 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.769 HG23 ' OD1' ' A' ' 28' ' ' ASN . 35.3 p -116.78 -48.17 2.68 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.746 0.308 . . . . 0.0 110.477 179.595 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.85 168.68 11.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.175 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 48.2 t -158.44 123.78 4.39 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.903 0.382 . . . . 0.0 110.854 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -174.59 132.73 0.36 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.11 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.7 pt -38.38 -39.94 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.85 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -74.41 -52.08 13.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.155 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.85 -52.54 60.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.826 0.346 . . . . 0.0 110.246 -179.627 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 25.9 mt -65.22 -51.81 58.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.931 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.03 -49.19 66.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.881 0.372 . . . . 0.0 110.295 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.57 -48.8 75.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.48 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.562 ' SG ' HD12 ' A' ' 27' ' ' ILE . 12.7 t -53.36 -49.43 67.18 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.268 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 47.9 mtp180 -59.57 -45.12 92.77 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.551 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -54.72 -44.19 73.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.392 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.514 ' N ' ' OE1' ' A' ' 42' ' ' GLU . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.464 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.466 ' O ' ' C ' ' A' ' 16' ' ' SER . 10.5 mt . . . . . 0 CA--C 1.521 -0.17 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.466 ' C ' ' O ' ' A' ' 15' ' ' LEU . 0.7 OUTLIER -32.75 -43.39 0.09 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.499 -179.742 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.4 tptm -164.16 127.71 2.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.902 178.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.53 ' CG ' ' OE2' ' A' ' 22' ' ' GLU . 2.9 m0 -123.74 161.71 24.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.868 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.407 ' H ' ' HD2' ' A' ' 19' ' ' LYS . 6.9 mptt -93.94 158.03 15.83 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.321 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -61.17 -40.4 93.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.887 0.375 . . . . 0.0 110.873 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.94 -62.21 1.85 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.308 -179.672 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.53 ' OE2' ' CG ' ' A' ' 18' ' ' TRP . 22.5 pt-20 -60.58 -37.59 81.83 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.088 -179.266 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.8 mt -54.52 -56.07 22.68 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.35 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -62.15 -51.2 68.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.835 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -55.65 -54.1 48.32 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.956 -179.595 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.8 m -57.92 -36.21 72.15 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.347 -179.373 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.579 HD12 ' SG ' ' A' ' 39' ' ' CYS . 0.7 OUTLIER -77.79 -21.5 13.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.815 -179.426 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.769 ' OD1' HG23 ' A' ' 29' ' ' THR . 0.2 OUTLIER -105.03 -2.84 23.92 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.044 -179.791 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.769 HG23 ' OD1' ' A' ' 28' ' ' ASN . 35.3 p -116.93 -48.15 2.67 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.833 0.349 . . . . 0.0 110.444 179.688 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.02 167.74 11.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.247 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 45.3 t -158.34 123.95 4.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.81 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -174.55 134.34 0.39 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.073 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.6 pt -38.74 -41.27 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.705 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -74.9 -51.77 12.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.099 -179.566 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.86 -52.38 60.6 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.272 -179.649 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 32.9 mt -65.36 -51.94 57.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.939 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.99 -51.76 60.53 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.289 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.416 ' HB1' ' CD1' ' A' ' 15' ' ' LEU . . . -60.03 -47.42 85.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.298 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.579 ' SG ' HD12 ' A' ' 27' ' ' ILE . 11.6 t -54.22 -46.9 72.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.172 179.752 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 31.4 ttm180 -59.47 -46.55 88.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.373 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -54.77 -44.95 74.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.295 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.352 179.741 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 16' ' ' SER . 15.1 mt . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.674 0.273 . . . . 0.0 110.283 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 15' ' ' LEU . 1.6 t -38.59 -50.37 1.58 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.445 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -163.53 127.94 2.87 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.855 179.26 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 3.1 m0 -123.22 152.28 41.42 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.994 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.76 160.27 18.86 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 179.631 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -63.76 -37.3 86.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.964 0.412 . . . . 0.0 110.346 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.9 -59.5 5.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.159 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.407 ' O ' ' OG1' ' A' ' 26' ' ' THR . 14.9 pt-20 -62.12 -37.72 86.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.98 -179.521 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.7 mt -55.38 -56.04 24.7 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.247 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 57.8 ttt180 -62.01 -50.18 73.07 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.796 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 29' ' ' THR . 20.1 t70 -56.25 -54.14 48.88 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 -179.658 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.407 ' OG1' ' O ' ' A' ' 22' ' ' GLU . 6.6 m -57.88 -35.88 71.6 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.47 -179.552 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.574 HD12 ' SG ' ' A' ' 39' ' ' CYS . 0.7 OUTLIER -77.74 -21.76 13.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 C-N-CA 120.476 -0.49 . . . . 0.0 110.811 -179.517 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.762 ' OD1' HG23 ' A' ' 29' ' ' THR . 0.2 OUTLIER -105.04 -2.56 24.27 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.01 -179.756 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.762 HG23 ' OD1' ' A' ' 28' ' ' ASN . 34.8 p -117.32 -48.39 2.62 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.872 0.368 . . . . 0.0 110.387 179.669 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.56 168.45 11.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.191 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 10.4 t -158.4 123.84 4.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.772 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 33' ' ' ILE . 4.9 t0 -174.47 132.07 0.37 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.076 179.675 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 32' ' ' ASP . 1.7 pt -38.55 -38.95 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.725 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -75.1 -51.64 12.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.029 -179.68 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.96 -52.41 60.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.781 0.324 . . . . 0.0 110.238 -179.758 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.3 mt -65.49 -50.86 63.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.823 -179.651 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.85 -47.5 67.73 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.155 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.79 -44.67 85.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.225 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.574 ' SG ' HD12 ' A' ' 27' ' ' ILE . 13.2 t -56.59 -50.7 71.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.1 179.703 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 21.2 mtp85 -58.12 -46.98 84.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.373 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -54.79 -41.29 70.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.384 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.402 179.977 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 16' ' ' SER . 15.0 mt . . . . . 0 N--CA 1.461 0.09 0 N-CA-C 110.097 -0.335 . . . . 0.0 110.097 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 15' ' ' LEU . 1.7 t -35.93 -52.11 0.73 Allowed 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.646 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 43.3 tptt -164.49 128.33 2.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.891 179.384 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.532 ' CG ' ' OE2' ' A' ' 22' ' ' GLU . 3.3 m0 -121.53 164.83 16.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.926 -179.704 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.56 ' H ' ' CD ' ' A' ' 22' ' ' GLU . 32.1 mmtm -99.81 163.25 12.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.811 0.338 . . . . 0.0 110.409 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -65.23 -39.3 92.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.787 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.37 -57.83 11.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.135 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.56 ' CD ' ' H ' ' A' ' 19' ' ' LYS . 11.7 pt-20 -63.32 -36.74 84.69 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.869 -179.482 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.0 mt -56.48 -56.02 26.45 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.31 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 58.9 ttt180 -61.31 -50.49 72.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.775 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 29' ' ' THR . 14.2 t70 -55.79 -54.17 47.76 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 -179.632 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.8 m -58.24 -35.42 71.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.403 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.554 HD12 ' SG ' ' A' ' 39' ' ' CYS . 0.6 OUTLIER -78.03 -21.59 13.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.769 -179.475 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.766 ' OD1' HG23 ' A' ' 29' ' ' THR . 0.2 OUTLIER -105.71 -2.67 23.03 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.983 -179.665 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.766 HG23 ' OD1' ' A' ' 28' ' ' ASN . 35.8 p -116.88 -48.48 2.66 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.862 0.363 . . . . 0.0 110.39 179.614 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.81 168.58 11.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.114 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 24.5 t -158.41 123.74 4.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.979 0.418 . . . . 0.0 110.779 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 33' ' ' ILE . 1.0 OUTLIER -174.74 131.32 0.33 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.014 179.689 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.403 ' C ' ' O ' ' A' ' 32' ' ' ASP . 1.8 pt -38.64 -38.29 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.659 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -75.52 -51.83 12.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.916 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.05 -52.44 60.86 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.077 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 25.9 mt -64.57 -51.03 64.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.732 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.89 -49.45 65.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.932 0.396 . . . . 0.0 110.005 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.424 ' O ' ' OE2' ' A' ' 42' ' ' GLU . . . -63.56 -48.13 78.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.199 179.666 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.554 ' SG ' HD12 ' A' ' 27' ' ' ILE . 11.3 t -55.2 -45.71 75.85 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.19 179.63 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 44.3 ttt85 -59.85 -46.0 90.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.393 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 -54.75 -50.91 67.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.327 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.491 ' N ' ' OE1' ' A' ' 42' ' ' GLU . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.306 179.624 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.7 mt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.649 0.261 . . . . 0.0 110.387 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.6 t -39.99 -49.39 2.49 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.938 0.399 . . . . 0.0 110.292 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.4 tmtt? -164.44 128.07 2.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.792 179.294 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.524 ' CG ' ' OE2' ' A' ' 22' ' ' GLU . 2.7 m0 -121.23 166.28 14.23 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.941 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.433 ' H ' ' CD ' ' A' ' 22' ' ' GLU . 23.7 mmtm -97.38 159.29 15.01 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 179.473 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.565 ' CD1' ' N ' ' A' ' 21' ' ' ALA . 48.8 p90 -63.38 -39.6 94.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.943 0.402 . . . . 0.0 110.641 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.565 ' N ' ' CD1' ' A' ' 20' ' ' TYR . . . -58.14 -60.14 4.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.17 -179.642 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.524 ' OE2' ' CG ' ' A' ' 18' ' ' TRP . 22.5 pt-20 -61.59 -37.01 82.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.928 -179.41 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.5 mt -55.46 -56.01 25.11 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.262 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 64.9 ttt180 -61.53 -50.02 74.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.783 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -56.17 -54.06 49.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.994 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.1 m -58.18 -35.51 71.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.403 -179.563 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.561 HD12 ' SG ' ' A' ' 39' ' ' CYS . 0.7 OUTLIER -77.92 -22.07 13.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 C-N-CA 120.58 -0.448 . . . . 0.0 110.756 -179.47 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.76 ' OD1' HG23 ' A' ' 29' ' ' THR . 0.2 OUTLIER -104.18 -3.78 23.95 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.929 -179.645 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.76 HG23 ' OD1' ' A' ' 28' ' ' ASN . 34.2 p -115.8 -48.27 2.76 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.895 0.379 . . . . 0.0 110.388 179.751 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.0 168.05 11.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.251 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 42.6 t -158.36 123.89 4.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.729 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 33' ' ' ILE . 1.9 t70 -174.56 132.79 0.36 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.015 179.693 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.411 ' C ' ' O ' ' A' ' 32' ' ' ASP . 1.7 pt -37.91 -40.12 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.731 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -74.71 -52.84 10.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.016 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.87 -52.65 59.78 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.195 -179.705 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 33.0 mt -64.22 -52.99 56.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.966 -179.603 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.93 -51.93 59.6 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.325 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.48 -46.35 89.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.465 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.561 ' SG ' HD12 ' A' ' 27' ' ' ILE . 12.3 t -54.69 -51.98 63.82 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.304 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 65.4 mtp85 -55.65 -46.5 77.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.444 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -54.75 -44.24 73.43 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.285 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.321 179.841 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.9 mt . . . . . 0 N--CA 1.46 0.071 0 CA-C-O 120.72 0.295 . . . . 0.0 110.276 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.9 t -39.19 -50.68 1.93 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.322 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.8 tmtt? -164.45 128.11 2.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.785 179.23 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.528 ' CG ' ' OE2' ' A' ' 22' ' ' GLU . 3.3 m0 -121.51 165.84 15.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.101 -0.499 . . . . 0.0 109.801 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.569 ' H ' ' CD ' ' A' ' 22' ' ' GLU . 23.4 mmtm -100.88 163.71 12.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.778 0.323 . . . . 0.0 110.396 179.788 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.435 ' CG ' ' N ' ' A' ' 21' ' ' ALA . 41.1 p90 -65.24 -39.85 93.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.715 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.435 ' N ' ' CG ' ' A' ' 20' ' ' TYR . . . -59.41 -57.45 12.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.143 -179.684 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.569 ' CD ' ' H ' ' A' ' 19' ' ' LYS . 11.6 pt-20 -63.8 -36.17 83.02 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.93 -179.419 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.4 mt -57.13 -55.93 28.3 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.324 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 -61.54 -50.63 71.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.735 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -55.62 -54.06 48.86 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.953 -179.606 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.407 ' OG1' ' O ' ' A' ' 22' ' ' GLU . 7.7 m -58.38 -35.56 72.19 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.459 -179.442 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.599 HD12 ' SG ' ' A' ' 39' ' ' CYS . 0.6 OUTLIER -78.31 -21.45 13.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.506 -0.478 . . . . 0.0 110.803 -179.422 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.763 ' OD1' HG23 ' A' ' 29' ' ' THR . 0.2 OUTLIER -104.26 -3.72 23.92 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.806 -179.855 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.763 HG23 ' OD1' ' A' ' 28' ' ' ASN . 34.2 p -115.74 -48.79 2.75 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.866 0.365 . . . . 0.0 110.293 179.62 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.57 168.6 11.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.165 179.671 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.8 t -158.32 123.83 4.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.968 0.413 . . . . 0.0 110.895 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 33' ' ' ILE . 1.8 t70 -174.55 132.14 0.36 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.025 179.684 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.409 ' C ' ' O ' ' A' ' 32' ' ' ASP . 1.8 pt -38.16 -39.62 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.772 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -74.83 -51.47 13.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.112 -179.626 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.95 -52.46 60.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.815 0.341 . . . . 0.0 110.129 -179.709 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 22.8 mt -65.42 -52.05 56.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.911 -179.591 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.83 -49.93 64.72 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.183 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.6 -42.85 99.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.302 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.599 ' SG ' HD12 ' A' ' 27' ' ' ILE . 18.5 t -56.84 -52.32 65.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.145 179.739 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 87.4 mtt180 -56.25 -46.43 79.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.293 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -54.64 -43.59 72.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.293 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.452 179.832 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.8 mt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.664 0.269 . . . . 0.0 110.377 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.6 t -39.71 -49.88 2.3 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.922 0.391 . . . . 0.0 110.347 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -164.22 128.21 2.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.642 179.118 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.464 ' CD2' ' OE2' ' A' ' 22' ' ' GLU . 3.1 m0 -122.17 159.93 26.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.019 -179.665 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.539 ' H ' ' CD ' ' A' ' 22' ' ' GLU . 0.1 OUTLIER -94.57 164.21 13.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.296 179.839 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.447 ' CD1' ' N ' ' A' ' 21' ' ' ALA . 18.0 p90 -66.99 -38.8 86.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.566 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.447 ' N ' ' CD1' ' A' ' 20' ' ' TYR . . . -58.97 -56.27 24.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.112 -179.734 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.539 ' CD ' ' H ' ' A' ' 19' ' ' LYS . 12.3 pt-20 -64.74 -38.72 91.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.962 -179.654 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.3 mt -54.84 -56.21 21.87 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.264 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 69.9 ttt-85 -61.81 -49.73 75.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.782 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -56.59 -53.91 52.07 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.84 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 22' ' ' GLU . 6.3 m -58.16 -35.62 71.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.336 -179.509 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.602 HD12 ' SG ' ' A' ' 39' ' ' CYS . 0.5 OUTLIER -77.54 -22.64 14.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.774 -179.474 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.771 ' OD1' HG23 ' A' ' 29' ' ' THR . 0.2 OUTLIER -103.39 -4.12 24.55 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.9 -179.721 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.771 HG23 ' OD1' ' A' ' 28' ' ' ASN . 34.6 p -115.59 -48.24 2.78 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.836 0.351 . . . . 0.0 110.372 179.615 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.38 168.83 10.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.205 179.785 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 43.9 t -158.33 123.96 4.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.956 0.408 . . . . 0.0 110.853 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 33' ' ' ILE . 3.5 t0 -174.61 131.73 0.35 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.05 179.689 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.413 ' C ' ' O ' ' A' ' 32' ' ' ASP . 1.8 pt -37.69 -39.7 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.844 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -74.75 -52.21 12.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.063 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.95 -52.55 60.3 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.129 -179.705 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 27.3 mt -64.32 -51.75 61.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.818 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.03 -52.33 58.8 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.383 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.34 -45.86 91.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.325 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.602 ' SG ' HD12 ' A' ' 27' ' ' ILE . 49.5 t -53.9 -50.23 66.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.263 179.703 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 66.1 mtt85 -58.23 -46.34 86.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.319 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -54.65 -40.9 69.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.303 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.418 179.837 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.2 mt . . . . . 0 N--CA 1.461 0.077 0 CA-C-O 120.725 0.298 . . . . 0.0 110.431 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.8 t -40.28 -50.0 2.74 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.945 0.402 . . . . 0.0 110.408 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.21 128.21 2.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.74 179.358 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.522 ' CG ' ' OE2' ' A' ' 22' ' ' GLU . 2.8 m0 -121.33 167.34 12.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.09 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.559 ' H ' ' CD ' ' A' ' 22' ' ' GLU . 46.5 mmtt -99.97 165.33 11.59 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.809 0.337 . . . . 0.0 110.397 179.745 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -67.36 -43.4 81.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.659 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.83 -55.11 36.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.181 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.559 ' CD ' ' H ' ' A' ' 19' ' ' LYS . 14.7 pt-20 -66.41 -38.78 88.24 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.14 -179.403 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.0 mt -54.24 -56.32 19.52 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.212 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 58.6 ttt180 -63.12 -49.2 75.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.712 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -55.74 -53.94 50.42 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.707 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.5 m -58.85 -35.54 73.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.316 -179.566 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.571 HD12 ' SG ' ' A' ' 39' ' ' CYS . 0.6 OUTLIER -78.12 -20.65 13.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 C-N-CA 120.427 -0.509 . . . . 0.0 110.89 -179.423 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.767 ' OD1' HG23 ' A' ' 29' ' ' THR . 0.2 OUTLIER -105.65 -3.84 21.75 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.976 -179.869 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.767 HG23 ' OD1' ' A' ' 28' ' ' ASN . 34.5 p -115.55 -48.7 2.77 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.819 0.342 . . . . 0.0 110.357 179.661 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.42 168.74 11.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.171 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 44.3 t -158.37 123.84 4.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.863 0.363 . . . . 0.0 110.834 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 33' ' ' ILE . 1.7 t70 -174.58 132.85 0.36 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.099 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 32' ' ' ASP . 1.7 pt -38.59 -39.7 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.826 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -74.9 -51.95 12.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.046 -179.526 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.69 -52.13 61.01 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.182 -179.54 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.2 mt -65.49 -52.94 49.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.84 -179.637 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.02 -47.41 68.35 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.338 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.64 -42.87 95.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.253 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.571 ' SG ' HD12 ' A' ' 27' ' ' ILE . 16.7 t -57.27 -52.28 65.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.007 0.432 . . . . 0.0 110.148 179.636 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.23 -40.66 86.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.299 179.751 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -61.11 -42.7 99.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.419 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.436 179.905 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.0 mt . . . . . 0 C--O 1.232 0.151 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.2 t -39.45 -50.64 2.13 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.932 0.396 . . . . 0.0 110.474 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.37 128.11 2.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.715 179.334 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.517 ' CG ' ' OE2' ' A' ' 22' ' ' GLU . 3.0 m0 -121.39 167.21 13.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.938 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.539 ' H ' ' CD ' ' A' ' 22' ' ' GLU . 25.0 mmtp -100.31 162.68 12.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.356 179.694 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -65.48 -40.03 92.63 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.566 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.41 -58.27 9.23 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.094 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.539 ' CD ' ' H ' ' A' ' 19' ' ' LYS . 15.4 pt-20 -63.17 -37.52 87.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.937 -179.43 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.9 mt -55.36 -56.03 24.78 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.32 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 47.2 ttp180 -61.91 -50.16 73.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.859 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -56.04 -54.15 48.37 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.768 -179.667 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.5 m -58.02 -35.77 71.74 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.48 -179.472 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.603 HD12 ' SG ' ' A' ' 39' ' ' CYS . 0.7 OUTLIER -78.25 -21.37 13.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 C-N-CA 120.416 -0.514 . . . . 0.0 110.761 -179.358 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.766 ' OD1' HG23 ' A' ' 29' ' ' THR . 0.2 OUTLIER -105.0 -3.13 23.63 Favored 'General case' 0 N--CA 1.462 0.172 0 C-N-CA 121.013 -0.275 . . . . 0.0 110.987 -179.841 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.766 HG23 ' OD1' ' A' ' 28' ' ' ASN . 34.9 p -116.58 -48.3 2.69 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.805 0.336 . . . . 0.0 110.348 179.669 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.41 168.76 11.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.14 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.0 t -158.45 123.99 4.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.764 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 33' ' ' ILE . 2.0 t70 -174.6 132.54 0.36 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.01 179.647 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.405 ' C ' ' O ' ' A' ' 32' ' ' ASP . 1.7 pt -38.45 -39.55 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.762 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -74.97 -51.67 13.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.057 -179.633 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.81 -52.4 60.44 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.223 -179.708 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.9 mt -65.41 -52.47 53.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.862 -179.586 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.9 -49.07 66.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.874 0.368 . . . . 0.0 110.227 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.16 -44.91 94.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.516 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.603 ' SG ' HD12 ' A' ' 27' ' ' ILE . 14.0 t -55.03 -52.34 63.47 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.272 179.753 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 31.5 mtp85 -57.19 -46.19 83.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.307 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -56.98 -40.41 76.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.417 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.44 179.931 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.7 mt . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.73 0.3 . . . . 0.0 110.265 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 t -39.53 -50.3 2.18 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.38 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -164.42 128.11 2.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.786 179.376 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 3.2 m0 -121.42 165.58 15.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.893 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.8 mmtp -100.74 152.77 20.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.761 0.315 . . . . 0.0 110.338 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -55.7 -38.7 70.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.646 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.91 -63.1 1.42 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.222 -179.615 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -59.84 -33.38 71.71 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.924 -179.363 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.6 mt -58.24 -55.99 27.84 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.181 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -61.19 -50.25 73.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.788 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -56.17 -54.13 48.83 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.028 -179.586 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.5 m -58.27 -35.41 71.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.422 -179.512 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.584 HD12 ' SG ' ' A' ' 39' ' ' CYS . 0.6 OUTLIER -78.03 -22.1 13.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 C-N-CA 120.471 -0.492 . . . . 0.0 110.765 -179.409 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.765 ' OD1' HG23 ' A' ' 29' ' ' THR . 0.2 OUTLIER -104.22 -3.68 24.01 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.958 -179.668 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.765 HG23 ' OD1' ' A' ' 28' ' ' ASN . 34.4 p -115.84 -48.56 2.75 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.938 0.399 . . . . 0.0 110.367 179.737 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.31 168.54 11.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.148 179.692 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 11.6 t -158.23 123.85 4.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.898 0.38 . . . . 0.0 110.831 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 33' ' ' ILE . 1.7 t70 -174.61 131.52 0.35 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.018 179.635 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.411 ' C ' ' O ' ' A' ' 32' ' ' ASP . 1.8 pt -38.36 -38.72 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.77 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -75.26 -51.86 12.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.986 -179.677 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.79 -52.59 59.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.945 0.402 . . . . 0.0 110.151 -179.768 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.7 mt -64.88 -52.12 58.26 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.965 -179.641 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.81 -49.16 66.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.968 0.414 . . . . 0.0 110.18 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.26 -44.47 95.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.268 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.584 ' SG ' HD12 ' A' ' 27' ' ' ILE . 14.4 t -56.59 -51.47 68.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.18 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 50.4 ttt180 -55.6 -50.02 71.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.315 179.705 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -54.66 -46.72 74.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.251 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.247 179.652 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.9 mt . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.666 0.27 . . . . 0.0 110.442 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.8 t -40.3 -50.09 2.77 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.959 0.409 . . . . 0.0 110.254 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -164.56 128.21 2.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.541 179.224 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 3.3 m0 -121.29 165.7 15.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.922 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.2 mmtp -101.11 153.17 19.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.395 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 58.6 t80 -55.89 -38.55 70.34 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.663 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.01 -63.18 1.4 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.153 -179.571 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.432 ' O ' ' OG1' ' A' ' 26' ' ' THR . 16.2 pt-20 -59.83 -33.65 72.05 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.866 -0.334 . . . . 0.0 110.947 -179.395 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.5 mt -58.11 -56.03 27.29 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.295 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 55.2 ttp180 -61.43 -50.12 74.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.774 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -56.13 -54.08 49.41 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.972 -179.62 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' A' ' 22' ' ' GLU . 8.7 m -58.39 -35.43 72.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.347 -179.534 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.548 HD12 ' SG ' ' A' ' 39' ' ' CYS . 0.6 OUTLIER -77.68 -22.2 13.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 C-N-CA 120.591 -0.443 . . . . 0.0 110.8 -179.472 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.761 ' OD1' HG23 ' A' ' 29' ' ' THR . 0.2 OUTLIER -104.31 -3.63 23.96 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.007 -179.705 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.761 HG23 ' OD1' ' A' ' 28' ' ' ASN . 35.4 p -116.08 -48.14 2.74 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.862 0.363 . . . . 0.0 110.472 179.69 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.44 167.94 11.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.23 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 49.2 t -158.25 123.84 4.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.96 0.409 . . . . 0.0 110.76 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -174.59 132.77 0.36 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.044 179.689 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.7 pt -38.79 -39.78 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.702 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -75.19 -51.75 12.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.101 -179.611 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.77 -52.32 60.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.871 0.367 . . . . 0.0 110.191 -179.745 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 30.3 mt -65.43 -52.01 56.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.834 -179.659 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.86 -49.32 66.04 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.236 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.44 -46.23 89.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.3 179.736 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.548 ' SG ' HD12 ' A' ' 27' ' ' ILE . 11.1 t -55.62 -51.8 65.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.157 179.719 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 73.7 ttt-85 -55.12 -48.26 73.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.45 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 40.5 mm-40 -54.6 -47.32 73.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.579 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.566 -179.978 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 16' ' ' SER . 20.3 mt . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.718 0.294 . . . . 0.0 110.273 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 15' ' ' LEU . 1.9 t -38.97 -51.27 1.8 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.365 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -164.37 128.03 2.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.875 179.344 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.534 ' CG ' ' OE2' ' A' ' 22' ' ' GLU . 2.8 m0 -122.02 161.21 23.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.849 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.409 ' H ' ' CD ' ' A' ' 22' ' ' GLU . 7.0 mptt -93.83 161.94 14.12 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.863 0.363 . . . . 0.0 110.194 179.657 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.601 ' CD1' ' N ' ' A' ' 21' ' ' ALA . 38.9 p90 -64.63 -40.83 96.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.724 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.601 ' N ' ' CD1' ' A' ' 20' ' ' TYR . . . -56.34 -58.91 5.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.201 -179.518 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.534 ' OE2' ' CG ' ' A' ' 18' ' ' TRP . 20.7 pt-20 -63.57 -38.26 90.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.076 -179.344 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.5 mt -53.69 -56.22 19.26 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.226 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.7 ttt-85 -62.86 -49.13 76.1 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.791 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -56.19 -53.92 51.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.3 m -58.38 -35.7 72.38 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.344 -179.661 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.584 HD12 ' SG ' ' A' ' 39' ' ' CYS . 0.7 OUTLIER -77.99 -21.14 13.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.744 -179.473 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.761 ' OD1' HG23 ' A' ' 29' ' ' THR . 0.2 OUTLIER -105.58 -3.23 22.59 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.081 -179.731 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.761 HG23 ' OD1' ' A' ' 28' ' ' ASN . 34.0 p -116.23 -48.58 2.71 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.932 0.396 . . . . 0.0 110.32 179.716 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.44 166.21 12.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.102 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 42.2 t -156.85 123.67 5.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.979 0.418 . . . . 0.0 110.693 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 33' ' ' ILE . 4.4 t0 -174.66 131.1 0.34 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.956 179.709 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.414 ' C ' ' O ' ' A' ' 32' ' ' ASP . 1.8 pt -38.07 -38.48 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.753 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -75.62 -51.78 12.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.051 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.04 -52.45 60.8 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.042 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 25.1 mt -64.84 -49.66 69.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.95 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.403 ' HB2' ' O ' ' A' ' 33' ' ' ILE . . . -52.97 -49.49 66.03 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.109 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.3 -44.26 92.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.204 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.584 ' SG ' HD12 ' A' ' 27' ' ' ILE . 10.2 t -55.94 -50.11 71.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.225 179.74 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -59.0 -46.03 89.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.279 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -54.75 -41.73 70.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.239 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.411 179.848 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 16' ' ' SER . 29.5 mt . . . . . 0 N--CA 1.462 0.149 0 N-CA-C 110.132 -0.322 . . . . 0.0 110.132 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 15' ' ' LEU . 1.9 t -36.75 -51.83 0.89 Allowed 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.506 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -164.28 127.88 2.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.987 -0.552 . . . . 0.0 109.86 179.288 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.533 ' CG ' ' OE2' ' A' ' 22' ' ' GLU . 3.4 m0 -122.54 161.97 22.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 0.0 109.884 -179.688 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.581 ' H ' ' CD ' ' A' ' 22' ' ' GLU . 54.4 mmtt -97.75 164.03 12.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.911 0.386 . . . . 0.0 110.442 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 20.4 p90 -66.33 -38.04 86.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.611 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.45 -56.87 16.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.023 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.581 ' CD ' ' H ' ' A' ' 19' ' ' LYS . 11.6 pt-20 -63.94 -37.47 87.54 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.804 -179.505 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.7 mt -56.07 -55.75 29.21 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.079 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.6 tpp85 -60.61 -51.35 69.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.77 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.479 ' O ' ' OG1' ' A' ' 29' ' ' THR . 13.8 t70 -56.08 -54.18 48.11 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.008 -179.517 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.9 m -58.25 -35.24 71.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.569 -179.266 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.61 HD12 ' SG ' ' A' ' 39' ' ' CYS . 0.9 OUTLIER -78.99 -21.24 12.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 C-N-CA 120.438 -0.505 . . . . 0.0 110.72 -179.412 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.775 ' OD1' HG23 ' A' ' 29' ' ' THR . 0.2 OUTLIER -105.53 -2.29 23.77 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.963 -179.778 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.775 HG23 ' OD1' ' A' ' 28' ' ' ASN . 35.6 p -117.91 -48.34 2.56 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.816 0.341 . . . . 0.0 110.353 179.654 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.5 167.42 12.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.131 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 38.3 t -158.36 123.71 4.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.768 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 33' ' ' ILE . 2.4 t0 -174.58 131.62 0.35 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.844 -0.617 . . . . 0.0 109.954 179.71 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.409 ' C ' ' O ' ' A' ' 32' ' ' ASP . 1.8 pt -38.83 -38.47 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.643 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -75.5 -51.75 12.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.935 -179.631 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.06 -52.67 60.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.887 0.375 . . . . 0.0 110.199 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.3 mt -64.62 -50.23 67.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.654 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.03 -45.55 68.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.979 0.418 . . . . 0.0 110.004 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.416 ' HB1' HD11 ' A' ' 15' ' ' LEU . . . -68.27 -40.6 81.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.239 179.714 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.61 ' SG ' HD12 ' A' ' 27' ' ' ILE . 8.9 t -60.37 -50.58 73.04 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.157 179.676 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 58.8 mtt-85 -58.93 -49.85 76.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.091 179.691 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -59.69 -35.72 75.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.189 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 . . . . . 0 N--CA 1.451 -0.407 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.258 179.712 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 16' ' ' SER . 14.0 mt . . . . . 0 C--O 1.232 0.133 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 15' ' ' LEU . 1.7 t -36.56 -51.18 0.83 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.663 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 39.9 tptt -164.2 128.23 2.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.939 179.378 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.536 ' CG ' ' OE2' ' A' ' 22' ' ' GLU . 2.9 m0 -122.45 159.27 27.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.955 -179.739 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.47 ' H ' ' CD ' ' A' ' 22' ' ' GLU . 7.1 mptt -92.99 163.29 13.72 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.401 179.649 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -65.21 -41.29 94.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.624 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.09 -58.06 9.51 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.206 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.536 ' OE2' ' CG ' ' A' ' 18' ' ' TRP . 15.5 pt-20 -63.99 -39.29 93.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.135 -179.365 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.5 mt -53.26 -56.01 19.96 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.56 -0.456 . . . . 0.0 110.271 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 -62.75 -50.69 70.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.819 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -55.41 -53.96 49.7 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.944 -179.674 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.3 m -58.53 -35.79 72.83 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.375 -179.479 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.592 HD12 ' SG ' ' A' ' 39' ' ' CYS . 0.8 OUTLIER -78.41 -20.6 13.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 120.444 -0.503 . . . . 0.0 110.794 -179.442 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.766 ' OD1' HG23 ' A' ' 29' ' ' THR . 0.2 OUTLIER -105.9 -2.87 22.48 Favored 'General case' 0 N--CA 1.463 0.191 0 C-N-CA 120.956 -0.297 . . . . 0.0 111.03 -179.824 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.766 HG23 ' OD1' ' A' ' 28' ' ' ASN . 34.8 p -116.95 -48.42 2.65 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.805 0.336 . . . . 0.0 110.388 179.553 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.62 168.79 11.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.172 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 42.8 t -158.43 123.74 4.38 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.93 0.395 . . . . 0.0 110.796 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 33' ' ' ILE . 2.3 t70 -174.65 131.32 0.34 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.915 179.716 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.414 ' C ' ' O ' ' A' ' 32' ' ' ASP . 1.8 pt -38.01 -38.61 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.737 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -75.28 -52.2 11.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.87 -179.687 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.05 -52.45 60.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.94 0.4 . . . . 0.0 110.235 -179.783 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 25.6 mt -64.58 -52.04 59.64 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.968 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.0 -50.98 63.11 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.261 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.59 -46.33 90.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.291 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.592 ' SG ' HD12 ' A' ' 27' ' ' ILE . 12.1 t -53.36 -49.69 66.64 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.194 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 69.8 ttt-85 -58.93 -46.46 87.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.42 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -54.8 -40.17 69.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.36 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.48 179.827 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.0 mt . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.691 0.281 . . . . 0.0 110.394 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.3 t -39.26 -49.71 1.93 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.374 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 40.3 tptt -164.14 128.16 2.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.717 179.379 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.528 ' CG ' ' OE2' ' A' ' 22' ' ' GLU . 2.9 m0 -122.12 165.33 16.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.782 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.481 ' H ' ' CD ' ' A' ' 22' ' ' GLU . 21.9 mmtp -96.87 158.7 15.3 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 179.517 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -63.09 -38.14 89.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.873 0.368 . . . . 0.0 110.381 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.72 -60.52 3.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.101 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.528 ' OE2' ' CG ' ' A' ' 18' ' ' TRP . 18.3 pt-20 -61.09 -35.84 78.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.724 -179.431 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.3 mt -56.48 -55.94 27.47 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.08 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 52.6 ttt85 -61.81 -50.5 72.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.701 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.404 ' O ' ' N ' ' A' ' 29' ' ' THR . 24.8 t70 -55.86 -54.22 47.26 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.993 -179.618 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.422 ' OG1' ' O ' ' A' ' 22' ' ' GLU . 7.5 m -57.76 -36.05 71.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.332 -179.573 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.584 HD12 ' SG ' ' A' ' 39' ' ' CYS . 0.4 OUTLIER -77.37 -21.75 14.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 C-N-CA 120.556 -0.457 . . . . 0.0 110.814 -179.485 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.765 ' OD1' HG23 ' A' ' 29' ' ' THR . 0.2 OUTLIER -105.81 -2.0 23.64 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.03 -179.655 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.765 HG23 ' OD1' ' A' ' 28' ' ' ASN . 34.2 p -117.29 -48.48 2.62 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.789 0.328 . . . . 0.0 110.332 179.657 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.55 168.9 10.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.207 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 44.1 t -158.38 124.01 4.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.876 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -174.47 133.5 0.38 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.113 179.626 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.6 pt -39.03 -39.84 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.786 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -74.57 -51.68 13.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.964 -179.639 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.06 -52.35 61.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.771 0.32 . . . . 0.0 110.271 -179.687 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 27.1 mt -66.07 -49.82 66.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.039 -179.493 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.81 -51.23 61.62 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.305 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.61 -50.79 68.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.391 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.584 ' SG ' HD12 ' A' ' 27' ' ' ILE . 24.3 t -51.14 -49.63 60.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.371 179.75 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.41 ' HB2' HH11 ' A' ' 40' ' ' ARG . 18.0 mtp-105 -58.82 -47.14 85.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.418 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -54.78 -37.8 66.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.422 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.425 179.773 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.8 mt . . . . . 0 C--O 1.233 0.203 0 CA-C-O 120.631 0.253 . . . . 0.0 110.404 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.6 t -40.63 -49.52 3.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.883 0.373 . . . . 0.0 110.301 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -164.49 127.95 2.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.925 -0.579 . . . . 0.0 109.726 179.309 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.541 ' CG ' ' OE2' ' A' ' 22' ' ' GLU . 3.3 m0 -121.97 161.22 23.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.899 -179.757 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.8 mptt -94.8 159.28 15.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.224 179.551 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.7 p90 -62.3 -38.47 89.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.488 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.99 -62.21 1.98 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.226 -179.661 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.541 ' OE2' ' CG ' ' A' ' 18' ' ' TRP . 20.1 pt-20 -60.59 -36.7 79.18 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.853 -179.338 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.3 mt -54.71 -56.04 23.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.886 0.374 . . . . 0.0 110.187 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 -61.5 -50.61 72.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.766 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -55.86 -54.05 49.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.913 -179.601 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.6 m -58.2 -35.57 71.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.379 -179.385 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.564 HD12 ' SG ' ' A' ' 39' ' ' CYS . 0.7 OUTLIER -77.85 -21.83 13.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.862 -179.511 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.767 ' OD1' HG23 ' A' ' 29' ' ' THR . 0.2 OUTLIER -104.69 -3.23 23.94 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.935 -179.735 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.767 HG23 ' OD1' ' A' ' 28' ' ' ASN . 34.1 p -116.14 -48.21 2.74 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.783 0.325 . . . . 0.0 110.477 179.673 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.98 168.22 11.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.201 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 43.7 t -158.32 123.74 4.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.843 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 33' ' ' ILE . 4.1 t0 -174.5 133.41 0.38 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.11 179.787 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.4 ' C ' ' O ' ' A' ' 32' ' ' ASP . 1.7 pt -38.79 -40.0 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.689 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -74.63 -52.29 12.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.091 -179.647 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.78 -52.52 59.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.862 0.363 . . . . 0.0 110.23 -179.575 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 29.6 mt -65.13 -52.3 56.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.962 -179.612 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.05 -49.07 67.09 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.31 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.33 -46.47 86.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.456 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.564 ' SG ' HD12 ' A' ' 27' ' ' ILE . 14.1 t -53.55 -50.6 65.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.177 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 48.9 ttt85 -58.4 -47.63 83.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.293 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -55.02 -39.77 69.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.442 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.561 179.939 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 16' ' ' SER . 17.9 mt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.662 0.268 . . . . 0.0 110.308 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 15' ' ' LEU . 4.2 t -38.49 -50.77 1.57 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.993 0.425 . . . . 0.0 110.452 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.9 tmtp? -164.4 128.33 2.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.57 179.179 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 2.9 m0 -120.69 164.09 17.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.093 -179.641 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.459 ' HB3' ' HZ3' ' A' ' 19' ' ' LYS . 5.5 mmmm -97.61 149.27 22.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.322 179.659 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -53.22 -39.08 63.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.585 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.22 -63.0 1.42 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.143 -179.585 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -61.04 -33.54 73.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.077 -179.312 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.3 mt -58.03 -56.25 24.38 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.383 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.7 ttm180 -63.95 -47.47 80.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.639 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -56.51 -53.94 51.68 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.683 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.0 m -58.56 -35.56 72.56 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.273 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.608 HD12 ' SG ' ' A' ' 39' ' ' CYS . 0.5 OUTLIER -77.2 -21.98 14.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 C-N-CA 120.496 -0.482 . . . . 0.0 110.751 -179.521 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.768 ' OD1' HG23 ' A' ' 29' ' ' THR . 0.2 OUTLIER -105.09 -3.52 23.0 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.997 -179.622 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.768 HG23 ' OD1' ' A' ' 28' ' ' ASN . 35.3 p -116.48 -48.31 2.7 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.746 0.307 . . . . 0.0 110.351 179.736 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.58 168.81 11.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.195 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 9.6 t -158.45 123.86 4.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.998 0.427 . . . . 0.0 110.771 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 33' ' ' ILE . 1.7 t70 -174.65 131.85 0.35 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.987 179.671 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.401 ' C ' ' O ' ' A' ' 32' ' ' ASP . 1.8 pt -38.77 -39.16 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.653 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -75.24 -51.21 13.85 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.072 -179.528 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.97 -52.42 60.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.862 0.363 . . . . 0.0 110.122 -179.698 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.8 mt -65.67 -50.63 64.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.965 -179.561 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.93 -48.73 67.09 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.287 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.75 -43.72 88.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.416 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.608 ' SG ' HD12 ' A' ' 27' ' ' ILE . 22.4 t -58.56 -51.01 71.72 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.396 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -57.74 -49.0 78.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.529 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -54.94 -40.98 70.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.575 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.556 -179.871 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.1 mt . . . . . 0 N--CA 1.46 0.064 0 CA-C-O 120.768 0.318 . . . . 0.0 110.362 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.8 t -38.81 -50.49 1.69 Allowed 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.398 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.9 tptp -164.26 128.09 2.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.741 179.326 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.523 ' CG ' ' OE2' ' A' ' 22' ' ' GLU . 3.3 m0 -121.78 165.59 15.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.954 -179.74 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.565 ' H ' ' CD ' ' A' ' 22' ' ' GLU . 25.7 mmtp -100.38 163.68 12.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.81 0.338 . . . . 0.0 110.391 179.705 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 92.0 t80 -65.8 -39.8 91.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.624 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.95 -57.26 13.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.082 -179.674 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.565 ' CD ' ' H ' ' A' ' 19' ' ' LYS . 11.6 pt-20 -63.87 -37.43 87.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.991 -179.507 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.0 mt -55.7 -55.94 26.31 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.349 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -61.79 -49.97 74.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.769 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -55.99 -54.09 48.99 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.796 -179.677 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.5 m -58.36 -35.44 71.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.435 -179.486 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.535 HD12 ' SG ' ' A' ' 39' ' ' CYS . 0.8 OUTLIER -78.11 -21.43 13.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.768 -179.554 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.769 ' OD1' HG23 ' A' ' 29' ' ' THR . 0.2 OUTLIER -105.5 -2.76 23.26 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-N 116.654 -0.248 . . . . 0.0 111.059 -179.747 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.769 HG23 ' OD1' ' A' ' 28' ' ' ASN . 34.5 p -116.94 -48.25 2.66 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.858 0.361 . . . . 0.0 110.374 179.667 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.09 168.14 11.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.118 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 35.8 t -158.32 123.83 4.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.691 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 33' ' ' ILE . 1.9 t0 -174.63 131.9 0.35 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.949 179.652 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.413 ' C ' ' O ' ' A' ' 32' ' ' ASP . 1.8 pt -38.37 -39.07 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.678 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -75.11 -52.23 11.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.003 -179.669 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.03 -52.62 60.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.901 0.382 . . . . 0.0 110.167 -179.821 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 29.8 mt -64.13 -52.27 59.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.822 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.02 -49.87 65.37 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.081 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.1 -48.87 79.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.424 179.765 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.535 ' SG ' HD12 ' A' ' 27' ' ' ILE . 8.1 t -51.42 -47.79 62.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.128 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.33 -47.31 86.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.363 179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -54.78 -36.75 65.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.309 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.452 179.787 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 16' ' ' SER . 19.6 mt . . . . . 0 C--O 1.232 0.154 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 15' ' ' LEU . 2.1 t -38.42 -51.38 1.55 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.378 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.6 tmtt? -164.47 128.38 2.55 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.698 179.263 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.532 ' CG ' ' OE2' ' A' ' 22' ' ' GLU . 2.6 m0 -121.33 163.67 18.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.07 -179.572 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.9 mptt -97.05 163.0 13.13 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.258 179.604 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.62 ' CD2' ' N ' ' A' ' 21' ' ' ALA . 52.7 p90 -63.58 -49.06 74.87 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.613 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.62 ' N ' ' CD2' ' A' ' 20' ' ' TYR . . . -50.11 -54.66 19.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.657 -179.357 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.532 ' OE2' ' CG ' ' A' ' 18' ' ' TRP . 24.4 pt-20 -68.11 -35.84 78.79 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.76 -0.376 . . . . 0.0 111.197 -179.065 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.3 mt -55.66 -56.62 18.25 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.43 -0.508 . . . . 0.0 110.563 -179.674 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -65.38 -47.64 75.66 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.389 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -54.63 -53.75 50.6 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.651 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.2 m -59.98 -35.22 74.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.226 -179.718 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.566 HD12 ' SG ' ' A' ' 39' ' ' CYS . 0.6 OUTLIER -77.61 -20.14 13.99 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 C-N-CA 120.566 -0.454 . . . . 0.0 110.866 -179.423 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.765 ' OD1' HG23 ' A' ' 29' ' ' THR . 0.2 OUTLIER -105.92 -5.74 19.42 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.979 -179.569 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.765 HG23 ' OD1' ' A' ' 28' ' ' ASN . 35.2 p -113.84 -48.64 2.91 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.805 0.335 . . . . 0.0 110.426 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.04 168.51 11.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.179 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 44.7 t -158.32 123.7 4.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.931 0.396 . . . . 0.0 110.79 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 33' ' ' ILE . 1.1 t70 -174.63 131.55 0.35 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.977 179.689 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 32' ' ' ASP . 1.7 pt -38.44 -38.92 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.627 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -75.2 -52.26 11.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.987 -179.649 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.95 -52.58 60.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.876 0.369 . . . . 0.0 110.094 -179.762 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 28.0 mt -64.72 -50.79 65.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.968 -179.591 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.88 -49.38 65.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.962 0.41 . . . . 0.0 110.233 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.3 -46.53 83.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.391 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.566 ' SG ' HD12 ' A' ' 27' ' ' ILE . 12.0 t -54.47 -51.97 63.35 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.29 179.766 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 46.7 mtp180 -57.64 -45.58 85.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.371 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -54.72 -41.47 70.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.202 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.373 179.747 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.3 mt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.654 0.264 . . . . 0.0 110.339 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.7 t -39.76 -50.1 2.34 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.363 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.9 tmtp? -164.41 128.38 2.57 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.604 179.294 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.527 ' CG ' ' OE2' ' A' ' 22' ' ' GLU . 2.8 m0 -120.47 163.93 17.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.023 -179.61 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.412 ' H ' ' HD2' ' A' ' 19' ' ' LYS . 4.8 mptt -96.44 153.97 17.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.165 179.533 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -57.34 -39.31 75.63 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.935 0.397 . . . . 0.0 110.639 -179.719 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.03 -63.24 1.27 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.331 -179.528 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.527 ' OE2' ' CG ' ' A' ' 18' ' ' TRP . 26.6 pt-20 -60.74 -36.2 78.3 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.099 -179.311 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.5 mt -55.21 -56.09 23.88 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.143 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.8 ttm-85 -62.02 -50.57 71.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.646 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -55.54 -54.11 48.0 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.956 -179.566 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.8 m -58.44 -35.65 72.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.43 -179.476 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.604 HD12 ' SG ' ' A' ' 39' ' ' CYS . 0.6 OUTLIER -78.25 -21.17 13.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.802 -179.354 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.764 ' OD1' HG23 ' A' ' 29' ' ' THR . 0.2 OUTLIER -105.54 -3.08 22.81 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.0 -179.708 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.764 HG23 ' OD1' ' A' ' 28' ' ' ASN . 35.3 p -116.65 -48.37 2.68 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.903 0.382 . . . . 0.0 110.357 179.662 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.14 168.23 11.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.152 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 29.3 t -158.26 123.83 4.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.891 0.376 . . . . 0.0 110.763 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 33' ' ' ILE . 2.0 t70 -174.43 133.14 0.38 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.081 179.578 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.402 ' C ' ' O ' ' A' ' 32' ' ' ASP . 1.7 pt -38.44 -40.05 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.749 -179.731 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -74.67 -51.74 13.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.07 -179.642 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.87 -52.54 60.15 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.23 -179.643 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.9 mt -65.43 -52.36 53.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.991 -179.594 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.94 -48.85 67.02 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.28 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.88 -44.13 90.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.441 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.604 ' SG ' HD12 ' A' ' 27' ' ' ILE . 32.1 t -57.11 -50.69 72.01 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.256 179.679 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 45.0 mtp180 -59.22 -42.97 92.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.453 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -60.36 -36.69 78.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.338 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.484 179.937 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.607 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -75.67 147.45 39.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.871 0.367 . . . . 0.0 110.467 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 68.2 mttt -84.6 -163.03 0.75 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.621 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.1 mmmt -47.42 -68.7 0.17 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.456 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -127.95 150.85 49.71 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.322 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -149.25 109.68 4.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.332 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 16' ' ' SER . 13.7 mt -122.81 59.25 1.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.431 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 15' ' ' LEU . 2.0 t -39.03 -50.05 1.77 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.952 0.406 . . . . 0.0 110.415 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 44.2 tptt -164.31 128.31 2.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.787 179.202 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.51 ' CG ' ' OE2' ' A' ' 22' ' ' GLU . 2.9 m0 -121.47 165.36 15.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.969 -179.754 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.569 ' H ' ' CD ' ' A' ' 22' ' ' GLU . 19.3 mmtm -97.82 164.13 12.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.196 179.655 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -66.9 -41.88 86.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.937 0.398 . . . . 0.0 110.561 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.21 -56.07 26.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.177 -179.613 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.569 ' CD ' ' H ' ' A' ' 19' ' ' LYS . 14.5 pt-20 -64.85 -38.54 91.32 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.973 -179.479 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.4 mt -54.44 -56.24 20.72 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.308 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 55.5 ttt180 -62.67 -49.6 74.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.802 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -55.86 -54.06 49.16 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.746 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.7 m -58.29 -35.87 72.48 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.374 -179.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.562 HD12 ' SG ' ' A' ' 39' ' ' CYS . 0.6 OUTLIER -77.5 -21.65 14.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 120.492 -0.483 . . . . 0.0 110.809 -179.448 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.769 ' OD1' HG23 ' A' ' 29' ' ' THR . 0.2 OUTLIER -105.59 -2.96 22.88 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.064 -179.653 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.769 HG23 ' OD1' ' A' ' 28' ' ' ASN . 35.3 p -116.78 -48.17 2.68 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.746 0.308 . . . . 0.0 110.477 179.595 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.85 168.68 11.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.175 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 48.2 t -158.44 123.78 4.39 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.903 0.382 . . . . 0.0 110.854 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -174.59 132.73 0.36 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.11 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.7 pt -38.38 -39.94 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.85 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -74.41 -52.08 13.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.155 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.85 -52.54 60.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.826 0.346 . . . . 0.0 110.246 -179.627 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 25.9 mt -65.22 -51.81 58.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.931 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.03 -49.19 66.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.881 0.372 . . . . 0.0 110.295 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.57 -48.8 75.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.48 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.562 ' SG ' HD12 ' A' ' 27' ' ' ILE . 12.7 t -53.36 -49.43 67.18 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.268 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 47.9 mtp180 -59.57 -45.12 92.77 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.551 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -54.72 -44.19 73.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.392 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.514 ' N ' ' OE1' ' A' ' 42' ' ' GLU . 0.2 OUTLIER -66.31 -43.82 85.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.464 179.931 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.96 -52.79 61.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.284 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 16.4 t-80 -58.45 -39.51 80.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.559 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 32.3 ttm180 -62.65 -53.71 50.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.591 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 45.4 ttp85 -58.51 -38.61 78.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.527 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.9 mt -71.99 -32.45 67.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.494 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -65.87 -53.18 43.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.511 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.513 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 34.0 m -67.37 -39.73 83.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.482 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.46 ' N ' HG23 ' A' ' 49' ' ' VAL . 89.4 t80 -67.05 -30.15 70.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.454 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -80.31 -33.75 37.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.479 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.09 -33.55 63.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.553 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.513 ' CD1' ' O ' ' A' ' 49' ' ' VAL . 18.3 m0 -58.49 -73.63 0.07 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.546 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.522 ' O ' ' N ' ' A' ' 56' ' ' LYS . 36.4 pttt -49.14 -38.87 26.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.536 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 57' ' ' ASN . 40.2 m 55.08 -82.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.682 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.522 ' N ' ' O ' ' A' ' 54' ' ' LYS . 2.2 mmmm 54.32 -88.85 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.474 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 55' ' ' SER . 44.4 m-20 -50.44 96.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.523 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.408 ' HB2' ' HZ3' ' A' ' 58' ' ' LYS . 0.4 OUTLIER -172.15 136.6 0.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.476 179.924 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 55.7 mttp -136.72 100.05 4.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.61 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 69.5 mtp85 . . . . . 0 C--O 1.221 -0.402 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.558 179.963 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.618 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.7 p -61.02 177.41 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.766 0.317 . . . . 0.0 110.557 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 54.1 mmtt -46.26 104.57 0.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.634 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 22.1 mtpp -79.36 -55.07 5.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.463 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -139.0 145.4 39.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.325 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.487 ' O ' HD23 ' A' ' 15' ' ' LEU . 12.4 t70 -140.18 118.63 12.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.393 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.487 HD23 ' O ' ' A' ' 14' ' ' ASP . 10.5 mt -139.0 40.44 2.13 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.466 ' C ' ' O ' ' A' ' 15' ' ' LEU . 0.7 OUTLIER -32.75 -43.39 0.09 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.499 -179.742 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.4 tptm -164.16 127.71 2.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.902 178.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.53 ' CG ' ' OE2' ' A' ' 22' ' ' GLU . 2.9 m0 -123.74 161.71 24.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.868 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.407 ' H ' ' HD2' ' A' ' 19' ' ' LYS . 6.9 mptt -93.94 158.03 15.83 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.321 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -61.17 -40.4 93.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.887 0.375 . . . . 0.0 110.873 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.94 -62.21 1.85 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.308 -179.672 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.53 ' OE2' ' CG ' ' A' ' 18' ' ' TRP . 22.5 pt-20 -60.58 -37.59 81.83 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.088 -179.266 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.8 mt -54.52 -56.07 22.68 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.35 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -62.15 -51.2 68.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.835 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -55.65 -54.1 48.32 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.956 -179.595 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.8 m -57.92 -36.21 72.15 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.347 -179.373 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.579 HD12 ' SG ' ' A' ' 39' ' ' CYS . 0.7 OUTLIER -77.79 -21.5 13.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.815 -179.426 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.769 ' OD1' HG23 ' A' ' 29' ' ' THR . 0.2 OUTLIER -105.03 -2.84 23.92 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.044 -179.791 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.769 HG23 ' OD1' ' A' ' 28' ' ' ASN . 35.3 p -116.93 -48.15 2.67 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.833 0.349 . . . . 0.0 110.444 179.688 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.02 167.74 11.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.247 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 45.3 t -158.34 123.95 4.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.81 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -174.55 134.34 0.39 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.073 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.6 pt -38.74 -41.27 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.705 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -74.9 -51.77 12.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.099 -179.566 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.86 -52.38 60.6 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.272 -179.649 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 32.9 mt -65.36 -51.94 57.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.939 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.99 -51.76 60.53 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.289 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.416 ' HB1' ' CD1' ' A' ' 15' ' ' LEU . . . -60.03 -47.42 85.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.298 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.579 ' SG ' HD12 ' A' ' 27' ' ' ILE . 11.6 t -54.22 -46.9 72.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.172 179.752 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 31.4 ttm180 -59.47 -46.55 88.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.373 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -54.77 -44.95 74.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.295 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -60.74 -51.32 69.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.352 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -59.24 -48.7 80.63 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.076 179.715 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 69.3 t60 -51.9 -46.42 64.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.413 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -60.48 -55.21 36.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.56 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -54.82 -42.35 71.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.402 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.2 mt -56.8 -56.55 20.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.463 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.517 ' O ' ' N ' ' A' ' 52' ' ' ALA . 9.1 mtmp? -65.22 -50.88 64.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.436 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 39.2 t -53.38 -42.26 47.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.357 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -69.38 -46.22 67.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.525 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 26.5 t-80 -74.2 -19.26 60.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.601 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.517 ' N ' ' O ' ' A' ' 48' ' ' LYS . . . -86.94 -57.16 3.08 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.621 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 29.1 m0 -50.19 -10.59 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.559 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.487 ' H ' ' C ' ' A' ' 52' ' ' ALA . 2.0 tmtp? -57.59 -51.85 67.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.66 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 40.1 m -50.46 118.85 3.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.566 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 18.4 mmmt -88.85 85.0 6.66 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.607 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 68.0 m-20 -85.24 158.63 20.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.573 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.443 ' O ' ' O ' ' A' ' 59' ' ' LYS . 72.9 tttt -161.88 -3.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.406 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.443 ' O ' ' O ' ' A' ' 58' ' ' LYS . 78.1 tttt 58.54 147.86 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.61 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 60.2 mtt85 . . . . . 0 C--O 1.221 -0.435 0 CA-C-O 118.024 -0.989 . . . . 0.0 110.593 179.909 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.671 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -74.93 149.91 39.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.774 0.321 . . . . 0.0 110.455 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.6 mtmt -82.89 -164.45 0.87 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.463 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -80.12 -54.07 6.11 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.527 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -128.91 150.69 50.26 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.343 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -142.7 111.37 6.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.426 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 16' ' ' SER . 15.1 mt -125.26 61.88 1.19 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.283 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 15' ' ' LEU . 1.6 t -38.59 -50.37 1.58 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.445 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -163.53 127.94 2.87 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.855 179.26 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 3.1 m0 -123.22 152.28 41.42 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.994 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.76 160.27 18.86 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 179.631 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -63.76 -37.3 86.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.964 0.412 . . . . 0.0 110.346 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.9 -59.5 5.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.159 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.407 ' O ' ' OG1' ' A' ' 26' ' ' THR . 14.9 pt-20 -62.12 -37.72 86.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.98 -179.521 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.7 mt -55.38 -56.04 24.7 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.247 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 57.8 ttt180 -62.01 -50.18 73.07 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.796 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 29' ' ' THR . 20.1 t70 -56.25 -54.14 48.88 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 -179.658 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.407 ' OG1' ' O ' ' A' ' 22' ' ' GLU . 6.6 m -57.88 -35.88 71.6 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.47 -179.552 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.574 HD12 ' SG ' ' A' ' 39' ' ' CYS . 0.7 OUTLIER -77.74 -21.76 13.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 C-N-CA 120.476 -0.49 . . . . 0.0 110.811 -179.517 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.762 ' OD1' HG23 ' A' ' 29' ' ' THR . 0.2 OUTLIER -105.04 -2.56 24.27 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.01 -179.756 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.762 HG23 ' OD1' ' A' ' 28' ' ' ASN . 34.8 p -117.32 -48.39 2.62 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.872 0.368 . . . . 0.0 110.387 179.669 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.56 168.45 11.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.191 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 10.4 t -158.4 123.84 4.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.772 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 33' ' ' ILE . 4.9 t0 -174.47 132.07 0.37 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.076 179.675 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 32' ' ' ASP . 1.7 pt -38.55 -38.95 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.725 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -75.1 -51.64 12.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.029 -179.68 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.96 -52.41 60.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.781 0.324 . . . . 0.0 110.238 -179.758 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.3 mt -65.49 -50.86 63.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.823 -179.651 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.85 -47.5 67.73 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.155 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.79 -44.67 85.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.225 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.574 ' SG ' HD12 ' A' ' 27' ' ' ILE . 13.2 t -56.59 -50.7 71.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.1 179.703 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 21.2 mtp85 -58.12 -46.98 84.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.373 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -54.79 -41.29 70.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.384 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -64.38 -49.55 71.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.402 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -58.4 -53.05 62.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.353 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 19.9 t60 -60.66 -31.62 70.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.521 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 26.6 ttt85 -69.32 -55.07 11.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.527 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 25.4 ttp85 -58.81 -36.55 74.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.735 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.5 mt -71.71 -38.23 70.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.422 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.4 tmtm? -61.84 -53.19 59.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.672 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.458 HG23 ' N ' ' A' ' 50' ' ' TYR . 34.1 m -66.74 -39.62 84.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.499 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.458 ' N ' HG23 ' A' ' 49' ' ' VAL . 51.1 t80 -55.15 -49.71 71.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.481 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 29.8 m80 -70.53 -35.67 73.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.499 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.58 -59.13 5.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.578 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.529 ' O ' ' N ' ' A' ' 55' ' ' SER . 14.1 m0 -62.43 -59.62 4.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.485 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 65.8 tttt 62.88 -69.9 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.495 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.529 ' N ' ' O ' ' A' ' 53' ' ' TRP . 10.7 t -65.49 -133.0 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.517 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.1 mmmm 45.37 30.43 0.7 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.6 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.494 ' CG ' ' H ' ' A' ' 58' ' ' LYS . 13.8 t-20 -160.89 -177.52 6.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.49 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.494 ' H ' ' CG ' ' A' ' 57' ' ' ASN . 21.5 tttp -70.86 0.51 7.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.5 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -90.56 57.14 3.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.67 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 70.8 mtp180 . . . . . 0 C--O 1.219 -0.514 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.42 179.933 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.67 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.83 120.48 10.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.77 0.319 . . . . 0.0 110.454 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.439 ' HZ3' ' HB3' ' A' ' 11' ' ' LYS . 0.4 OUTLIER -88.45 -165.78 1.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.591 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.4 mmmt -75.03 -59.65 2.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.566 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -127.22 146.14 50.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.375 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -135.76 111.87 9.66 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.498 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 16' ' ' SER . 15.0 mt -126.59 61.81 1.31 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.097 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 15' ' ' LEU . 1.7 t -35.93 -52.11 0.73 Allowed 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.646 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 43.3 tptt -164.49 128.33 2.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.891 179.384 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.532 ' CG ' ' OE2' ' A' ' 22' ' ' GLU . 3.3 m0 -121.53 164.83 16.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.926 -179.704 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.56 ' H ' ' CD ' ' A' ' 22' ' ' GLU . 32.1 mmtm -99.81 163.25 12.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.811 0.338 . . . . 0.0 110.409 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -65.23 -39.3 92.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.787 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.37 -57.83 11.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.135 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.56 ' CD ' ' H ' ' A' ' 19' ' ' LYS . 11.7 pt-20 -63.32 -36.74 84.69 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.869 -179.482 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.0 mt -56.48 -56.02 26.45 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.31 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 58.9 ttt180 -61.31 -50.49 72.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.775 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 29' ' ' THR . 14.2 t70 -55.79 -54.17 47.76 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 -179.632 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.8 m -58.24 -35.42 71.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.403 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.554 HD12 ' SG ' ' A' ' 39' ' ' CYS . 0.6 OUTLIER -78.03 -21.59 13.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.769 -179.475 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.766 ' OD1' HG23 ' A' ' 29' ' ' THR . 0.2 OUTLIER -105.71 -2.67 23.03 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.983 -179.665 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.766 HG23 ' OD1' ' A' ' 28' ' ' ASN . 35.8 p -116.88 -48.48 2.66 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.862 0.363 . . . . 0.0 110.39 179.614 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.81 168.58 11.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.114 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 24.5 t -158.41 123.74 4.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.979 0.418 . . . . 0.0 110.779 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 33' ' ' ILE . 1.0 OUTLIER -174.74 131.32 0.33 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.014 179.689 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.403 ' C ' ' O ' ' A' ' 32' ' ' ASP . 1.8 pt -38.64 -38.29 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.659 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -75.52 -51.83 12.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.916 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.05 -52.44 60.86 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.077 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 25.9 mt -64.57 -51.03 64.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.732 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.89 -49.45 65.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.932 0.396 . . . . 0.0 110.005 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.424 ' O ' ' OE2' ' A' ' 42' ' ' GLU . . . -63.56 -48.13 78.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.199 179.666 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.554 ' SG ' HD12 ' A' ' 27' ' ' ILE . 11.3 t -55.2 -45.71 75.85 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.19 179.63 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 44.3 ttt85 -59.85 -46.0 90.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.393 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 -54.75 -50.91 67.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.327 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.491 ' N ' ' OE1' ' A' ' 42' ' ' GLU . 0.3 OUTLIER -60.97 -43.89 98.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.306 179.624 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.21 -46.91 88.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.08 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 62.4 t60 -58.59 -40.93 84.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.24 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -61.09 -54.97 38.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.367 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.6 ttm105 -58.37 -40.49 82.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.461 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.472 ' O ' HD13 ' A' ' 47' ' ' LEU . 0.2 OUTLIER -56.46 -56.49 20.5 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.32 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.88 -51.61 46.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.467 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 54.8 t -53.68 -44.15 57.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.591 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -64.67 -51.95 59.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.415 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 66.0 t-80 -58.75 -31.47 68.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.476 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -78.72 -63.98 1.28 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.59 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 22.1 m0 -47.97 -53.78 14.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.395 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.5 ' O ' ' NZ ' ' A' ' 58' ' ' LYS . 5.4 tmtt? 46.18 94.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.561 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 57.7 m -116.1 -102.14 0.42 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.493 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.419 ' HE2' ' H ' ' A' ' 56' ' ' LYS . 7.2 mmpt? 54.22 40.79 32.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.551 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.402 ' O ' ' O ' ' A' ' 58' ' ' LYS . 22.7 m120 53.14 94.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.472 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.5 ' NZ ' ' O ' ' A' ' 54' ' ' LYS . 56.9 mttm -60.62 -133.75 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.589 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.8 pttp -68.16 173.76 4.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.667 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 51.5 mtm-85 . . . . . 0 C--O 1.219 -0.504 0 CA-C-O 117.995 -1.002 . . . . 0.0 110.584 179.963 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.686 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.9 t -76.87 176.65 8.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.832 0.349 . . . . 0.0 110.519 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.548 ' CG ' ' H ' ' A' ' 12' ' ' LYS . 0.3 OUTLIER -78.11 -97.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.531 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.548 ' H ' ' CG ' ' A' ' 11' ' ' LYS . 33.4 mtmt -131.81 -47.75 0.95 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.515 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -129.97 152.45 49.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.367 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -154.07 109.75 3.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.358 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.7 mt -123.05 60.95 1.03 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.387 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.6 t -39.99 -49.39 2.49 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.938 0.399 . . . . 0.0 110.292 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.4 tmtt? -164.44 128.07 2.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.792 179.294 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.524 ' CG ' ' OE2' ' A' ' 22' ' ' GLU . 2.7 m0 -121.23 166.28 14.23 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.941 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.433 ' H ' ' CD ' ' A' ' 22' ' ' GLU . 23.7 mmtm -97.38 159.29 15.01 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 179.473 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.565 ' CD1' ' N ' ' A' ' 21' ' ' ALA . 48.8 p90 -63.38 -39.6 94.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.943 0.402 . . . . 0.0 110.641 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.565 ' N ' ' CD1' ' A' ' 20' ' ' TYR . . . -58.14 -60.14 4.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.17 -179.642 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.524 ' OE2' ' CG ' ' A' ' 18' ' ' TRP . 22.5 pt-20 -61.59 -37.01 82.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.928 -179.41 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.427 HD13 HH21 ' A' ' 46' ' ' ARG . 2.5 mt -55.46 -56.01 25.11 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.262 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 64.9 ttt180 -61.53 -50.02 74.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.783 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -56.17 -54.06 49.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.994 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.1 m -58.18 -35.51 71.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.403 -179.563 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.561 HD12 ' SG ' ' A' ' 39' ' ' CYS . 0.7 OUTLIER -77.92 -22.07 13.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 C-N-CA 120.58 -0.448 . . . . 0.0 110.756 -179.47 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.76 ' OD1' HG23 ' A' ' 29' ' ' THR . 0.2 OUTLIER -104.18 -3.78 23.95 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.929 -179.645 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.76 HG23 ' OD1' ' A' ' 28' ' ' ASN . 34.2 p -115.8 -48.27 2.76 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.895 0.379 . . . . 0.0 110.388 179.751 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.0 168.05 11.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.251 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 42.6 t -158.36 123.89 4.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.729 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 33' ' ' ILE . 1.9 t70 -174.56 132.79 0.36 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.015 179.693 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.411 ' C ' ' O ' ' A' ' 32' ' ' ASP . 1.7 pt -37.91 -40.12 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.731 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -74.71 -52.84 10.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.016 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.87 -52.65 59.78 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.195 -179.705 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 33.0 mt -64.22 -52.99 56.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.966 -179.603 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.93 -51.93 59.6 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.325 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.48 -46.35 89.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.465 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.561 ' SG ' HD12 ' A' ' 27' ' ' ILE . 12.3 t -54.69 -51.98 63.82 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.304 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 65.4 mtp85 -55.65 -46.5 77.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.444 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -54.75 -44.24 73.43 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.285 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -60.65 -50.51 73.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.321 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -51.66 -52.99 43.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.199 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 18.5 t-80 -56.29 -42.35 77.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.271 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 54.1 ttt-85 -63.91 -49.18 73.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.448 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.427 HH21 HD13 ' A' ' 23' ' ' LEU . 21.7 ttm-85 -54.82 -44.02 73.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.415 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 17.1 mt -68.14 -35.76 78.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.855 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 45.9 tttp -68.01 -53.24 27.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.888 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.473 ' O ' ' N ' ' A' ' 53' ' ' TRP . 13.5 m -68.2 -39.11 80.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.617 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.52 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 69.3 t80 -63.24 -42.15 99.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.431 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 34.5 t-80 -81.94 -27.22 33.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.521 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -92.29 -5.14 52.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.588 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.52 ' CD1' ' O ' ' A' ' 50' ' ' TYR . 1.3 p-90 -47.59 -30.47 3.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.597 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.49 ' N ' ' CD1' ' A' ' 53' ' ' TRP . 18.0 ptmt -59.1 -36.53 75.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.542 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 57' ' ' ASN . 45.5 m 45.69 30.81 0.87 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.543 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 18.1 ttmt 55.08 -84.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.538 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.497 ' N ' ' O ' ' A' ' 55' ' ' SER . 42.7 t-20 -90.73 132.96 35.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.569 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 17.0 mmtt -148.7 -1.27 0.51 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.294 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.6 tptm -104.43 35.15 2.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.384 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 17.1 mtm180 . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.587 179.925 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.702 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.1 p -75.3 150.36 38.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.786 0.327 . . . . 0.0 110.445 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.9 mtmm -104.12 -171.49 1.94 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.531 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.5 mtpt -136.09 -56.28 0.76 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.613 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -124.83 152.87 43.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.439 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -147.83 111.72 5.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.47 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.9 mt -125.72 61.44 1.24 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.276 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.9 t -39.19 -50.68 1.93 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.322 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.8 tmtt? -164.45 128.11 2.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.785 179.23 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.528 ' CG ' ' OE2' ' A' ' 22' ' ' GLU . 3.3 m0 -121.51 165.84 15.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.101 -0.499 . . . . 0.0 109.801 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.569 ' H ' ' CD ' ' A' ' 22' ' ' GLU . 23.4 mmtm -100.88 163.71 12.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.778 0.323 . . . . 0.0 110.396 179.788 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.435 ' CG ' ' N ' ' A' ' 21' ' ' ALA . 41.1 p90 -65.24 -39.85 93.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.715 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.435 ' N ' ' CG ' ' A' ' 20' ' ' TYR . . . -59.41 -57.45 12.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.143 -179.684 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.569 ' CD ' ' H ' ' A' ' 19' ' ' LYS . 11.6 pt-20 -63.8 -36.17 83.02 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.93 -179.419 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.4 mt -57.13 -55.93 28.3 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.324 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 -61.54 -50.63 71.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.735 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -55.62 -54.06 48.86 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.953 -179.606 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.407 ' OG1' ' O ' ' A' ' 22' ' ' GLU . 7.7 m -58.38 -35.56 72.19 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.459 -179.442 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.599 HD12 ' SG ' ' A' ' 39' ' ' CYS . 0.6 OUTLIER -78.31 -21.45 13.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.506 -0.478 . . . . 0.0 110.803 -179.422 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.763 ' OD1' HG23 ' A' ' 29' ' ' THR . 0.2 OUTLIER -104.26 -3.72 23.92 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.806 -179.855 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.763 HG23 ' OD1' ' A' ' 28' ' ' ASN . 34.2 p -115.74 -48.79 2.75 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.866 0.365 . . . . 0.0 110.293 179.62 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.57 168.6 11.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.165 179.671 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.8 t -158.32 123.83 4.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.968 0.413 . . . . 0.0 110.895 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 33' ' ' ILE . 1.8 t70 -174.55 132.14 0.36 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.025 179.684 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.409 ' C ' ' O ' ' A' ' 32' ' ' ASP . 1.8 pt -38.16 -39.62 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.772 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -74.83 -51.47 13.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.112 -179.626 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.95 -52.46 60.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.815 0.341 . . . . 0.0 110.129 -179.709 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 22.8 mt -65.42 -52.05 56.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.911 -179.591 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.83 -49.93 64.72 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.183 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.6 -42.85 99.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.302 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.599 ' SG ' HD12 ' A' ' 27' ' ' ILE . 18.5 t -56.84 -52.32 65.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.145 179.739 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 87.4 mtt180 -56.25 -46.43 79.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.293 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -54.64 -43.59 72.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.293 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -63.12 -44.6 95.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.452 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -55.95 -53.01 62.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.332 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 20.1 m-70 -57.12 -47.59 80.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.431 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 46.3 ttt-85 -61.06 -53.41 57.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.533 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.3 mmt85 -60.03 -36.03 76.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.625 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.0 tp -72.15 -41.93 66.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.545 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.3 tppt? -59.55 -53.45 57.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.607 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.494 HG23 ' N ' ' A' ' 50' ' ' TYR . 22.5 m -65.9 -41.01 89.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.478 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.494 ' N ' HG23 ' A' ' 49' ' ' VAL . 43.0 t80 -61.46 -29.78 70.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.299 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 30.2 m170 -80.05 -38.63 31.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.298 179.565 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.12 -47.58 83.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.58 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 54.3 m95 -50.83 -16.46 0.42 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.591 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 73.6 tttt -75.47 -61.76 1.8 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.552 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.9 m 53.85 -131.47 2.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.563 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.9 tppt? -158.38 -20.21 0.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.483 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -140.21 -155.88 0.63 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.452 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 70.1 tttt 47.63 47.23 17.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.456 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 58.4 mttt -65.87 101.78 0.7 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.658 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 66.7 mtt-85 . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.526 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.726 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.9 p -74.56 176.82 6.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.846 0.355 . . . . 0.0 110.484 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -63.32 94.58 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.529 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 25.2 mtpt -46.53 -66.74 0.36 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.626 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -127.9 153.92 46.11 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.404 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -152.28 109.84 3.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.313 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.8 mt -124.05 61.08 1.11 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.377 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.6 t -39.71 -49.88 2.3 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.922 0.391 . . . . 0.0 110.347 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -164.22 128.21 2.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.642 179.118 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.464 ' CD2' ' OE2' ' A' ' 22' ' ' GLU . 3.1 m0 -122.17 159.93 26.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.019 -179.665 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.539 ' H ' ' CD ' ' A' ' 22' ' ' GLU . 0.1 OUTLIER -94.57 164.21 13.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.296 179.839 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.447 ' CD1' ' N ' ' A' ' 21' ' ' ALA . 18.0 p90 -66.99 -38.8 86.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.566 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.447 ' N ' ' CD1' ' A' ' 20' ' ' TYR . . . -58.97 -56.27 24.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.112 -179.734 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.539 ' CD ' ' H ' ' A' ' 19' ' ' LYS . 12.3 pt-20 -64.74 -38.72 91.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.962 -179.654 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.3 mt -54.84 -56.21 21.87 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.264 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 69.9 ttt-85 -61.81 -49.73 75.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.782 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -56.59 -53.91 52.07 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.84 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 22' ' ' GLU . 6.3 m -58.16 -35.62 71.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.336 -179.509 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.602 HD12 ' SG ' ' A' ' 39' ' ' CYS . 0.5 OUTLIER -77.54 -22.64 14.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.774 -179.474 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.771 ' OD1' HG23 ' A' ' 29' ' ' THR . 0.2 OUTLIER -103.39 -4.12 24.55 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.9 -179.721 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.771 HG23 ' OD1' ' A' ' 28' ' ' ASN . 34.6 p -115.59 -48.24 2.78 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.836 0.351 . . . . 0.0 110.372 179.615 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.38 168.83 10.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.205 179.785 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 43.9 t -158.33 123.96 4.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.956 0.408 . . . . 0.0 110.853 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 33' ' ' ILE . 3.5 t0 -174.61 131.73 0.35 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.05 179.689 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.413 ' C ' ' O ' ' A' ' 32' ' ' ASP . 1.8 pt -37.69 -39.7 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.844 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -74.75 -52.21 12.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.063 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.95 -52.55 60.3 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.129 -179.705 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 27.3 mt -64.32 -51.75 61.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.818 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.03 -52.33 58.8 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.383 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.34 -45.86 91.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.325 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.602 ' SG ' HD12 ' A' ' 27' ' ' ILE . 49.5 t -53.9 -50.23 66.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.263 179.703 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 66.1 mtt85 -58.23 -46.34 86.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.319 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -54.65 -40.9 69.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.303 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -67.75 -47.68 68.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.418 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.55 -52.53 64.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.225 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.45 ' HD1' ' C ' ' A' ' 44' ' ' HIS . 3.5 t-80 -57.5 -40.86 79.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.606 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 54.2 ttt180 -61.28 -55.43 31.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.546 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 79.0 mtt85 -59.09 -40.29 84.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.538 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.1 tp -59.31 -56.54 20.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.652 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 52' ' ' ALA . 13.4 tptp -66.08 -45.9 79.62 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.496 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 41.1 t -57.33 -45.65 85.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.382 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -67.56 -44.1 79.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.485 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 12.2 t-80 -69.95 -29.39 66.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.466 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.481 ' C ' ' N ' ' A' ' 54' ' ' LYS . . . -80.38 -67.23 0.79 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.492 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -47.99 -13.06 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.407 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.481 ' N ' ' C ' ' A' ' 52' ' ' ALA . 59.6 tttp -46.58 -72.87 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.71 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.0 p -62.71 109.43 1.41 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.578 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 46.9 mtpt -87.66 -34.08 18.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.61 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -77.81 88.48 4.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.601 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 59' ' ' LYS . 74.2 mttt -81.55 -2.28 49.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.487 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 58' ' ' LYS . 16.8 pttp 31.21 59.67 0.26 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.206 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 91.8 mtt-85 . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.499 179.911 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.679 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.8 t -84.26 170.14 14.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.763 0.316 . . . . 0.0 110.602 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.404 ' HD2' ' H ' ' A' ' 11' ' ' LYS . 2.6 mptp? -97.09 103.96 15.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.405 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 30.6 mtpt -87.89 -49.88 6.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.681 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -126.7 155.24 42.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.49 -179.636 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -155.04 112.4 3.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.326 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.2 mt -125.95 62.49 1.24 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.431 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.8 t -40.28 -50.0 2.74 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.945 0.402 . . . . 0.0 110.408 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.21 128.21 2.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.74 179.358 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.522 ' CG ' ' OE2' ' A' ' 22' ' ' GLU . 2.8 m0 -121.33 167.34 12.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.09 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.559 ' H ' ' CD ' ' A' ' 22' ' ' GLU . 46.5 mmtt -99.97 165.33 11.59 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.809 0.337 . . . . 0.0 110.397 179.745 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -67.36 -43.4 81.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.659 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.83 -55.11 36.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.181 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.559 ' CD ' ' H ' ' A' ' 19' ' ' LYS . 14.7 pt-20 -66.41 -38.78 88.24 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.14 -179.403 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.0 mt -54.24 -56.32 19.52 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.212 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 58.6 ttt180 -63.12 -49.2 75.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.712 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -55.74 -53.94 50.42 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.707 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.5 m -58.85 -35.54 73.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.316 -179.566 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.571 HD12 ' SG ' ' A' ' 39' ' ' CYS . 0.6 OUTLIER -78.12 -20.65 13.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 C-N-CA 120.427 -0.509 . . . . 0.0 110.89 -179.423 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.767 ' OD1' HG23 ' A' ' 29' ' ' THR . 0.2 OUTLIER -105.65 -3.84 21.75 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.976 -179.869 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.767 HG23 ' OD1' ' A' ' 28' ' ' ASN . 34.5 p -115.55 -48.7 2.77 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.819 0.342 . . . . 0.0 110.357 179.661 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.42 168.74 11.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.171 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 44.3 t -158.37 123.84 4.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.863 0.363 . . . . 0.0 110.834 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 33' ' ' ILE . 1.7 t70 -174.58 132.85 0.36 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.099 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 32' ' ' ASP . 1.7 pt -38.59 -39.7 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.826 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -74.9 -51.95 12.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.046 -179.526 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.69 -52.13 61.01 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.182 -179.54 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.2 mt -65.49 -52.94 49.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.84 -179.637 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.02 -47.41 68.35 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.338 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.64 -42.87 95.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.253 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.571 ' SG ' HD12 ' A' ' 27' ' ' ILE . 16.7 t -57.27 -52.28 65.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.007 0.432 . . . . 0.0 110.148 179.636 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.23 -40.66 86.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.299 179.751 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -61.11 -42.7 99.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.419 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -64.51 -41.41 96.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.436 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -60.15 -52.93 63.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.376 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 34.0 m80 -57.38 -48.35 79.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.676 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 38.8 ttm-85 -60.11 -50.5 73.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.493 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 43.4 ttt-85 -55.54 -44.51 76.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.511 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 19.5 mt -70.32 -29.52 66.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.505 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 47.7 tttp -64.59 -53.04 53.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.594 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.424 HG23 ' N ' ' A' ' 50' ' ' TYR . 33.5 m -70.82 -38.25 71.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.585 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.533 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 58.5 t80 -65.36 -31.63 72.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.645 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.518 ' ND1' ' O ' ' A' ' 51' ' ' HIS . 6.3 t-80 -87.29 -32.36 19.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.587 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -84.02 -13.09 54.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.701 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.533 ' CD1' ' O ' ' A' ' 50' ' ' TYR . 0.8 OUTLIER -47.57 -19.69 0.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.612 -179.826 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.452 ' N ' ' CD1' ' A' ' 53' ' ' TRP . 36.7 tttm -45.32 -88.9 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.605 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 42.5 t -174.08 131.57 0.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.598 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.7 ttmt -69.39 164.73 22.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.43 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.428 ' O ' ' O ' ' A' ' 58' ' ' LYS . 20.4 m-80 -39.51 -74.46 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.82 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.428 ' O ' ' O ' ' A' ' 57' ' ' ASN . 3.7 mmmm 44.12 95.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.594 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -48.49 144.42 4.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.557 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 20.4 mmt85 . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 117.97 -1.014 . . . . 0.0 110.541 179.945 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.693 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.6 p -76.05 174.17 10.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.739 0.304 . . . . 0.0 110.54 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.6 mmtp -58.03 -157.75 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.417 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.5 mmmm -77.47 -70.88 0.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.505 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -124.33 151.21 44.59 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.173 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -144.47 109.74 5.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.51 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.0 mt -124.12 59.75 1.15 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.265 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.2 t -39.45 -50.64 2.13 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.932 0.396 . . . . 0.0 110.474 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.37 128.11 2.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.715 179.334 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.517 ' CG ' ' OE2' ' A' ' 22' ' ' GLU . 3.0 m0 -121.39 167.21 13.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.938 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.539 ' H ' ' CD ' ' A' ' 22' ' ' GLU . 25.0 mmtp -100.31 162.68 12.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.356 179.694 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -65.48 -40.03 92.63 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.566 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.41 -58.27 9.23 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.094 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.539 ' CD ' ' H ' ' A' ' 19' ' ' LYS . 15.4 pt-20 -63.17 -37.52 87.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.937 -179.43 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.9 mt -55.36 -56.03 24.78 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.32 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 47.2 ttp180 -61.91 -50.16 73.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.859 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -56.04 -54.15 48.37 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.768 -179.667 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.5 m -58.02 -35.77 71.74 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.48 -179.472 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.603 HD12 ' SG ' ' A' ' 39' ' ' CYS . 0.7 OUTLIER -78.25 -21.37 13.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 C-N-CA 120.416 -0.514 . . . . 0.0 110.761 -179.358 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.766 ' OD1' HG23 ' A' ' 29' ' ' THR . 0.2 OUTLIER -105.0 -3.13 23.63 Favored 'General case' 0 N--CA 1.462 0.172 0 C-N-CA 121.013 -0.275 . . . . 0.0 110.987 -179.841 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.766 HG23 ' OD1' ' A' ' 28' ' ' ASN . 34.9 p -116.58 -48.3 2.69 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.805 0.336 . . . . 0.0 110.348 179.669 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.41 168.76 11.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.14 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.0 t -158.45 123.99 4.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.764 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 33' ' ' ILE . 2.0 t70 -174.6 132.54 0.36 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.01 179.647 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.405 ' C ' ' O ' ' A' ' 32' ' ' ASP . 1.7 pt -38.45 -39.55 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.762 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -74.97 -51.67 13.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.057 -179.633 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.81 -52.4 60.44 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.223 -179.708 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.9 mt -65.41 -52.47 53.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.862 -179.586 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.9 -49.07 66.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.874 0.368 . . . . 0.0 110.227 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.16 -44.91 94.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.516 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.603 ' SG ' HD12 ' A' ' 27' ' ' ILE . 14.0 t -55.03 -52.34 63.47 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.272 179.753 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 31.5 mtp85 -57.19 -46.19 83.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.307 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -56.98 -40.41 76.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.417 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -64.26 -46.05 85.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.44 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -61.22 -53.12 60.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.358 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 16.8 t60 -53.7 -45.37 70.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.354 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 55.3 ttp180 -60.37 -45.03 94.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.544 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.7 mmm180 -56.6 -50.8 70.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.602 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -66.56 -27.79 68.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.521 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.9 ttmt -71.61 -53.45 13.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.691 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.438 HG23 ' N ' ' A' ' 50' ' ' TYR . 14.2 m -71.22 -37.43 66.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.501 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.438 ' N ' HG23 ' A' ' 49' ' ' VAL . 54.5 t80 -65.85 -51.96 54.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.556 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.447 ' ND1' ' O ' ' A' ' 51' ' ' HIS . 14.5 t-80 -67.51 -32.27 72.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.582 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.46 -29.04 59.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.627 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.412 ' O ' ' O ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -51.67 -34.77 39.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.394 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.412 ' O ' ' O ' ' A' ' 53' ' ' TRP . 29.1 mmtm -49.17 -99.37 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.591 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.526 ' O ' ' N ' ' A' ' 57' ' ' ASN . 10.7 t -161.55 -24.09 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.542 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 27.6 mtpt 60.29 -74.92 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.566 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.526 ' N ' ' O ' ' A' ' 55' ' ' SER . 65.7 m-20 -69.11 -156.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.485 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 52.4 mttp -65.4 -136.74 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.619 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.3 ttmm 46.94 61.43 2.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.59 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 10.6 ttt85 . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.155 179.976 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.653 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.6 p -75.12 165.72 24.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.819 0.343 . . . . 0.0 110.444 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.2 mtpp -78.01 -155.94 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.438 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.7 mmmm -50.17 -60.03 3.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.573 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -132.17 157.64 43.75 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.404 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -151.0 109.58 3.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.444 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.7 mt -125.34 61.95 1.2 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.265 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 t -39.53 -50.3 2.18 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.38 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -164.42 128.11 2.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.786 179.376 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 3.2 m0 -121.42 165.58 15.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.893 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.8 mmtp -100.74 152.77 20.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.761 0.315 . . . . 0.0 110.338 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -55.7 -38.7 70.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.646 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.91 -63.1 1.42 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.222 -179.615 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -59.84 -33.38 71.71 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.924 -179.363 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.6 mt -58.24 -55.99 27.84 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.181 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -61.19 -50.25 73.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.788 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -56.17 -54.13 48.83 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.028 -179.586 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.5 m -58.27 -35.41 71.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.422 -179.512 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.584 HD12 ' SG ' ' A' ' 39' ' ' CYS . 0.6 OUTLIER -78.03 -22.1 13.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 C-N-CA 120.471 -0.492 . . . . 0.0 110.765 -179.409 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.765 ' OD1' HG23 ' A' ' 29' ' ' THR . 0.2 OUTLIER -104.22 -3.68 24.01 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.958 -179.668 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.765 HG23 ' OD1' ' A' ' 28' ' ' ASN . 34.4 p -115.84 -48.56 2.75 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.938 0.399 . . . . 0.0 110.367 179.737 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.31 168.54 11.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.148 179.692 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 11.6 t -158.23 123.85 4.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.898 0.38 . . . . 0.0 110.831 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 33' ' ' ILE . 1.7 t70 -174.61 131.52 0.35 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.018 179.635 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.411 ' C ' ' O ' ' A' ' 32' ' ' ASP . 1.8 pt -38.36 -38.72 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.77 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -75.26 -51.86 12.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.986 -179.677 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.79 -52.59 59.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.945 0.402 . . . . 0.0 110.151 -179.768 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.7 mt -64.88 -52.12 58.26 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.965 -179.641 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.81 -49.16 66.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.968 0.414 . . . . 0.0 110.18 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.26 -44.47 95.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.268 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.584 ' SG ' HD12 ' A' ' 27' ' ' ILE . 14.4 t -56.59 -51.47 68.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.18 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 50.4 ttt180 -55.6 -50.02 71.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.315 179.705 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -54.66 -46.72 74.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.251 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -56.93 -42.6 80.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.247 179.652 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -58.88 -53.02 63.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.131 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -53.57 -42.23 67.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.35 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 29.6 ttt85 -64.85 -47.72 76.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.683 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.9 tpt180 -62.06 -45.79 91.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.737 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -67.79 -28.98 68.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.317 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.3 ttmt -68.62 -53.16 24.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.652 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.433 HG23 ' N ' ' A' ' 50' ' ' TYR . 28.1 m -70.25 -38.04 73.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.532 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.433 ' N ' HG23 ' A' ' 49' ' ' VAL . 88.5 t80 -63.41 -42.16 98.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.417 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 36.5 t60 -71.86 -39.0 69.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.531 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -79.03 -15.99 57.47 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.587 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -47.52 -56.64 6.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.5 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.47 ' O ' ' O ' ' A' ' 55' ' ' SER . 6.2 pttm -77.76 -93.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.493 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.496 ' C ' ' H ' ' A' ' 57' ' ' ASN . 2.6 t 57.9 127.82 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.679 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.43 ' H ' ' HD2' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -74.77 24.64 0.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.495 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.496 ' H ' ' C ' ' A' ' 55' ' ' SER . 23.5 t-20 -165.84 128.48 2.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.573 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.0 mptt -88.69 54.14 2.93 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.593 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -78.61 90.56 4.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.608 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 62.5 mtm180 . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 117.957 -1.021 . . . . 0.0 110.542 -179.995 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.68 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.2 t -63.47 176.42 0.84 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.731 0.3 . . . . 0.0 110.524 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -149.49 7.17 0.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.474 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 29.9 mtmm -59.92 -47.69 84.74 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.532 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -130.55 150.6 51.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.477 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -149.55 109.76 4.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.286 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.9 mt -122.65 59.99 1.03 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.442 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.8 t -40.3 -50.09 2.77 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.959 0.409 . . . . 0.0 110.254 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -164.56 128.21 2.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.541 179.224 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 3.3 m0 -121.29 165.7 15.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.922 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.2 mmtp -101.11 153.17 19.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.395 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 58.6 t80 -55.89 -38.55 70.34 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.663 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.01 -63.18 1.4 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.153 -179.571 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.432 ' O ' ' OG1' ' A' ' 26' ' ' THR . 16.2 pt-20 -59.83 -33.65 72.05 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.866 -0.334 . . . . 0.0 110.947 -179.395 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.5 mt -58.11 -56.03 27.29 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.295 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 55.2 ttp180 -61.43 -50.12 74.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.774 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -56.13 -54.08 49.41 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.972 -179.62 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' A' ' 22' ' ' GLU . 8.7 m -58.39 -35.43 72.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.347 -179.534 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.548 HD12 ' SG ' ' A' ' 39' ' ' CYS . 0.6 OUTLIER -77.68 -22.2 13.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 C-N-CA 120.591 -0.443 . . . . 0.0 110.8 -179.472 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.761 ' OD1' HG23 ' A' ' 29' ' ' THR . 0.2 OUTLIER -104.31 -3.63 23.96 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.007 -179.705 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.761 HG23 ' OD1' ' A' ' 28' ' ' ASN . 35.4 p -116.08 -48.14 2.74 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.862 0.363 . . . . 0.0 110.472 179.69 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.44 167.94 11.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.23 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 49.2 t -158.25 123.84 4.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.96 0.409 . . . . 0.0 110.76 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -174.59 132.77 0.36 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.044 179.689 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.7 pt -38.79 -39.78 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.702 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -75.19 -51.75 12.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.101 -179.611 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.77 -52.32 60.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.871 0.367 . . . . 0.0 110.191 -179.745 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 30.3 mt -65.43 -52.01 56.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.834 -179.659 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.86 -49.32 66.04 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.236 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.44 -46.23 89.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.3 179.736 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.548 ' SG ' HD12 ' A' ' 27' ' ' ILE . 11.1 t -55.62 -51.8 65.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.157 179.719 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.551 ' CZ ' ' NE2' ' A' ' 44' ' ' HIS . 73.7 ttt-85 -55.12 -48.26 73.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.45 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 40.5 mm-40 -54.6 -47.32 73.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.579 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -58.81 -45.04 90.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.566 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -58.89 -53.31 59.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.358 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.551 ' NE2' ' CZ ' ' A' ' 40' ' ' ARG . 1.2 m80 -52.3 -46.72 66.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.425 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.408 ' O ' HG22 ' A' ' 49' ' ' VAL . 38.2 ttt85 -66.22 -36.96 84.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.596 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 20.1 ttt85 -66.63 -47.96 70.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.709 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.4 mp -67.78 -32.07 72.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.376 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.1 tttm -66.93 -53.33 32.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.935 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.54 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 14.9 m -71.44 -37.1 63.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.631 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.429 ' N ' HG23 ' A' ' 49' ' ' VAL . 92.4 t80 -63.63 -39.8 95.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.616 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 33.5 t60 -80.49 -30.63 37.36 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.579 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.01 -40.89 82.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.707 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.54 ' CD1' ' O ' ' A' ' 49' ' ' VAL . 30.4 m0 -47.57 -35.17 8.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.454 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.501 ' CD ' ' N ' ' A' ' 54' ' ' LYS . 3.4 mptp? -72.77 -38.8 67.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.523 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.419 ' O ' ' O ' ' A' ' 54' ' ' LYS . 4.9 m 59.2 120.85 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.57 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 28.2 mtpt -76.79 -67.86 0.66 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.503 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 32.6 p-10 -165.33 -179.94 5.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.562 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -154.43 -122.3 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.541 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -80.34 178.33 8.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.586 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 19.4 ttm-85 . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.619 -179.945 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.59 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.401 ' OG1' ' N ' ' A' ' 11' ' ' LYS . 4.1 t -74.43 178.45 5.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.72 0.295 . . . . 0.0 110.595 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.401 ' N ' ' OG1' ' A' ' 10' ' ' THR . 40.1 mttm -131.65 82.66 2.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.534 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.9 mtmm -86.1 -45.64 11.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.597 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -129.29 144.53 51.26 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.7 -179.575 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.464 ' OD1' ' N ' ' A' ' 14' ' ' ASP . 14.1 p-10 -130.97 112.93 13.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.419 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 16' ' ' SER . 20.3 mt -128.1 62.86 1.42 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.273 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 15' ' ' LEU . 1.9 t -38.97 -51.27 1.8 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.365 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -164.37 128.03 2.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.875 179.344 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.534 ' CG ' ' OE2' ' A' ' 22' ' ' GLU . 2.8 m0 -122.02 161.21 23.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.849 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.409 ' H ' ' CD ' ' A' ' 22' ' ' GLU . 7.0 mptt -93.83 161.94 14.12 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.863 0.363 . . . . 0.0 110.194 179.657 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.601 ' CD1' ' N ' ' A' ' 21' ' ' ALA . 38.9 p90 -64.63 -40.83 96.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.724 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.601 ' N ' ' CD1' ' A' ' 20' ' ' TYR . . . -56.34 -58.91 5.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.201 -179.518 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.534 ' OE2' ' CG ' ' A' ' 18' ' ' TRP . 20.7 pt-20 -63.57 -38.26 90.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.076 -179.344 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.5 mt -53.69 -56.22 19.26 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.226 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.7 ttt-85 -62.86 -49.13 76.1 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.791 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -56.19 -53.92 51.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.3 m -58.38 -35.7 72.38 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.344 -179.661 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.584 HD12 ' SG ' ' A' ' 39' ' ' CYS . 0.7 OUTLIER -77.99 -21.14 13.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.744 -179.473 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.761 ' OD1' HG23 ' A' ' 29' ' ' THR . 0.2 OUTLIER -105.58 -3.23 22.59 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.081 -179.731 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.761 HG23 ' OD1' ' A' ' 28' ' ' ASN . 34.0 p -116.23 -48.58 2.71 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.932 0.396 . . . . 0.0 110.32 179.716 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.44 166.21 12.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.102 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 42.2 t -156.85 123.67 5.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.979 0.418 . . . . 0.0 110.693 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 33' ' ' ILE . 4.4 t0 -174.66 131.1 0.34 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.956 179.709 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.414 ' C ' ' O ' ' A' ' 32' ' ' ASP . 1.8 pt -38.07 -38.48 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.753 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -75.62 -51.78 12.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.051 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.04 -52.45 60.8 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.042 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 25.1 mt -64.84 -49.66 69.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.95 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.403 ' HB2' ' O ' ' A' ' 33' ' ' ILE . . . -52.97 -49.49 66.03 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.109 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.3 -44.26 92.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.204 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.584 ' SG ' HD12 ' A' ' 27' ' ' ILE . 10.2 t -55.94 -50.11 71.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.225 179.74 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -59.0 -46.03 89.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.279 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -54.75 -41.73 70.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.239 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -64.63 -49.07 72.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.411 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -55.04 -52.93 61.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.217 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 9.5 t-80 -55.13 -48.94 72.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.413 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 31.7 ttp180 -60.71 -54.13 49.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.556 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 -50.28 -40.71 49.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.415 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 19.5 mt -69.17 -37.7 78.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.491 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.1 ttpp -60.44 -53.11 61.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.697 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.402 HG23 ' N ' ' A' ' 50' ' ' TYR . 26.8 m -66.99 -37.63 79.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.657 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.402 ' N ' HG23 ' A' ' 49' ' ' VAL . 93.5 t80 -59.75 -59.37 5.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.647 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 75.6 m-70 -61.64 -38.33 87.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.552 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.7 -46.63 89.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.618 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -47.53 -24.87 0.95 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.49 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 46.0 mmtt -120.9 88.82 3.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.338 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 26.9 t -81.69 -119.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.601 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.5 mtpp -144.47 60.65 1.34 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.447 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 62.4 m-20 -62.81 -80.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.563 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 48.2 mttp -69.52 -137.93 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.48 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? 56.41 89.78 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.371 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 73.5 mtt85 . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.069 -0.967 . . . . 0.0 110.635 179.947 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.671 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 15.3 t -50.54 172.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.741 0.305 . . . . 0.0 110.435 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.5 mtpm? -140.02 92.92 2.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.511 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -45.85 -53.87 9.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.703 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -130.69 142.69 50.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.508 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -129.27 111.94 13.38 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.584 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 16' ' ' SER . 29.5 mt -125.05 60.29 1.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.132 179.65 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 15' ' ' LEU . 1.9 t -36.75 -51.83 0.89 Allowed 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.506 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -164.28 127.88 2.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.987 -0.552 . . . . 0.0 109.86 179.288 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.533 ' CG ' ' OE2' ' A' ' 22' ' ' GLU . 3.4 m0 -122.54 161.97 22.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 0.0 109.884 -179.688 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.581 ' H ' ' CD ' ' A' ' 22' ' ' GLU . 54.4 mmtt -97.75 164.03 12.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.911 0.386 . . . . 0.0 110.442 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 20.4 p90 -66.33 -38.04 86.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.611 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.45 -56.87 16.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.023 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.581 ' CD ' ' H ' ' A' ' 19' ' ' LYS . 11.6 pt-20 -63.94 -37.47 87.54 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.804 -179.505 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.7 mt -56.07 -55.75 29.21 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.079 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.6 tpp85 -60.61 -51.35 69.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.77 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.479 ' O ' ' OG1' ' A' ' 29' ' ' THR . 13.8 t70 -56.08 -54.18 48.11 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.008 -179.517 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.9 m -58.25 -35.24 71.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.569 -179.266 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.61 HD12 ' SG ' ' A' ' 39' ' ' CYS . 0.9 OUTLIER -78.99 -21.24 12.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 C-N-CA 120.438 -0.505 . . . . 0.0 110.72 -179.412 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.775 ' OD1' HG23 ' A' ' 29' ' ' THR . 0.2 OUTLIER -105.53 -2.29 23.77 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.963 -179.778 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.775 HG23 ' OD1' ' A' ' 28' ' ' ASN . 35.6 p -117.91 -48.34 2.56 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.816 0.341 . . . . 0.0 110.353 179.654 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.5 167.42 12.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.131 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 38.3 t -158.36 123.71 4.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.768 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 33' ' ' ILE . 2.4 t0 -174.58 131.62 0.35 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.844 -0.617 . . . . 0.0 109.954 179.71 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.409 ' C ' ' O ' ' A' ' 32' ' ' ASP . 1.8 pt -38.83 -38.47 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.643 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -75.5 -51.75 12.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.935 -179.631 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.06 -52.67 60.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.887 0.375 . . . . 0.0 110.199 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.3 mt -64.62 -50.23 67.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.654 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.03 -45.55 68.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.979 0.418 . . . . 0.0 110.004 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.416 ' HB1' HD11 ' A' ' 15' ' ' LEU . . . -68.27 -40.6 81.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.239 179.714 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.61 ' SG ' HD12 ' A' ' 27' ' ' ILE . 8.9 t -60.37 -50.58 73.04 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.157 179.676 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 58.8 mtt-85 -58.93 -49.85 76.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.091 179.691 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -59.69 -35.72 75.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.189 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -69.23 -35.96 76.7 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.258 179.712 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.27 -53.33 20.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.078 179.761 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 -59.3 -38.76 81.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.322 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 46.3 ttt85 -62.83 -51.66 66.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.473 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 32.6 ttm-85 -59.89 -42.79 94.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.657 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 14.9 mt -70.13 -30.5 67.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.534 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 43.7 tttm -67.06 -53.2 33.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.562 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.439 HG23 ' N ' ' A' ' 50' ' ' TYR . 29.1 m -69.05 -38.55 78.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.536 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.439 ' N ' HG23 ' A' ' 49' ' ' VAL . 79.2 t80 -62.9 -39.76 95.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.571 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 10.4 t-80 -78.43 -30.66 47.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.555 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.46 -55.45 5.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.582 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -47.49 -32.02 4.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.583 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 74.6 tttt -80.24 -95.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.714 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.7 p 41.38 72.07 0.18 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.749 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 35.5 mtpt -93.59 126.93 39.01 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.552 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 32.6 m-20 -81.39 -102.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.571 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 50.2 pttt -166.75 35.47 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.609 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 48.0 pttt -152.73 133.56 13.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.599 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 42.3 mtp180 . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 118.068 -0.968 . . . . 0.0 110.56 -179.973 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.722 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.5 p -70.77 156.85 39.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.735 0.302 . . . . 0.0 110.561 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.0 mttm -120.0 -151.33 0.48 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.602 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.3 mmpt? -90.33 -62.16 1.52 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.608 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -123.72 148.38 46.63 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.47 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -139.41 111.67 7.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.385 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 16' ' ' SER . 14.0 mt -125.79 61.6 1.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.18 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 15' ' ' LEU . 1.7 t -36.56 -51.18 0.83 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.663 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 39.9 tptt -164.2 128.23 2.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.939 179.378 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.536 ' CG ' ' OE2' ' A' ' 22' ' ' GLU . 2.9 m0 -122.45 159.27 27.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.955 -179.739 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.47 ' H ' ' CD ' ' A' ' 22' ' ' GLU . 7.1 mptt -92.99 163.29 13.72 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.401 179.649 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -65.21 -41.29 94.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.624 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.09 -58.06 9.51 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.206 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.536 ' OE2' ' CG ' ' A' ' 18' ' ' TRP . 15.5 pt-20 -63.99 -39.29 93.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.135 -179.365 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.5 mt -53.26 -56.01 19.96 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.56 -0.456 . . . . 0.0 110.271 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 -62.75 -50.69 70.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.819 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -55.41 -53.96 49.7 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.944 -179.674 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.3 m -58.53 -35.79 72.83 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.375 -179.479 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.592 HD12 ' SG ' ' A' ' 39' ' ' CYS . 0.8 OUTLIER -78.41 -20.6 13.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 120.444 -0.503 . . . . 0.0 110.794 -179.442 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.766 ' OD1' HG23 ' A' ' 29' ' ' THR . 0.2 OUTLIER -105.9 -2.87 22.48 Favored 'General case' 0 N--CA 1.463 0.191 0 C-N-CA 120.956 -0.297 . . . . 0.0 111.03 -179.824 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.766 HG23 ' OD1' ' A' ' 28' ' ' ASN . 34.8 p -116.95 -48.42 2.65 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.805 0.336 . . . . 0.0 110.388 179.553 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.62 168.79 11.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.172 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 42.8 t -158.43 123.74 4.38 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.93 0.395 . . . . 0.0 110.796 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 33' ' ' ILE . 2.3 t70 -174.65 131.32 0.34 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.915 179.716 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.414 ' C ' ' O ' ' A' ' 32' ' ' ASP . 1.8 pt -38.01 -38.61 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.737 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -75.28 -52.2 11.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.87 -179.687 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.05 -52.45 60.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.94 0.4 . . . . 0.0 110.235 -179.783 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 25.6 mt -64.58 -52.04 59.64 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.968 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.0 -50.98 63.11 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.261 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.59 -46.33 90.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.291 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.592 ' SG ' HD12 ' A' ' 27' ' ' ILE . 12.1 t -53.36 -49.69 66.64 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.194 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.564 ' CZ ' ' NE2' ' A' ' 44' ' ' HIS . 69.8 ttt-85 -58.93 -46.46 87.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.42 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -54.8 -40.17 69.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.36 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -65.81 -50.77 63.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.48 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -53.8 -50.99 64.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.22 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.564 ' NE2' ' CZ ' ' A' ' 40' ' ' ARG . 6.1 m80 -58.69 -45.56 89.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.566 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 51.0 ttt85 -57.48 -52.77 64.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.553 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.63 -43.14 99.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.448 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.5 tp -70.91 -29.93 66.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.524 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 44' ' ' HIS . 81.3 tttt -68.57 -53.35 23.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.647 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.42 HG23 ' N ' ' A' ' 50' ' ' TYR . 19.7 m -68.1 -36.7 76.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.495 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.42 ' N ' HG23 ' A' ' 49' ' ' VAL . 86.1 t80 -62.63 -48.3 79.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.492 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 50.6 t-80 -70.01 -32.49 70.69 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.511 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.517 ' C ' ' H ' ' A' ' 54' ' ' LYS . . . -68.75 -38.12 79.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.529 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -69.61 15.29 0.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.609 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.517 ' H ' ' C ' ' A' ' 52' ' ' ALA . 48.1 pttt -40.01 -44.25 1.7 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.791 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.436 ' N ' ' CG ' ' A' ' 54' ' ' LYS . 1.6 t 170.54 106.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.621 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -144.15 -56.0 0.36 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.434 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.4 m120 45.16 39.9 4.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.66 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 35.6 mttp 50.45 97.94 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.555 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.0 ttmt -74.23 104.05 4.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.591 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 73.7 mtt-85 . . . . . 0 C--O 1.219 -0.543 0 CA-C-O 118.022 -0.989 . . . . 0.0 110.551 179.992 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.687 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.7 t -68.33 177.32 2.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.779 0.323 . . . . 0.0 110.592 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.1 mttp -61.15 -143.68 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.612 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 19.4 mtpp -67.9 -61.59 1.8 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.63 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -127.46 155.59 43.46 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.486 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -153.67 109.6 3.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.236 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.0 mt -123.11 58.61 1.1 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.394 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.3 t -39.26 -49.71 1.93 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.374 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.45 ' HZ3' ' NH1' ' A' ' 46' ' ' ARG . 40.3 tptt -164.14 128.16 2.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.717 179.379 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.528 ' CG ' ' OE2' ' A' ' 22' ' ' GLU . 2.9 m0 -122.12 165.33 16.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.782 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.481 ' H ' ' CD ' ' A' ' 22' ' ' GLU . 21.9 mmtp -96.87 158.7 15.3 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 179.517 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -63.09 -38.14 89.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.873 0.368 . . . . 0.0 110.381 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.72 -60.52 3.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.101 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.528 ' OE2' ' CG ' ' A' ' 18' ' ' TRP . 18.3 pt-20 -61.09 -35.84 78.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.724 -179.431 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.3 mt -56.48 -55.94 27.47 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.08 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 52.6 ttt85 -61.81 -50.5 72.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.701 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.404 ' O ' ' N ' ' A' ' 29' ' ' THR . 24.8 t70 -55.86 -54.22 47.26 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.993 -179.618 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.422 ' OG1' ' O ' ' A' ' 22' ' ' GLU . 7.5 m -57.76 -36.05 71.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.332 -179.573 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.584 HD12 ' SG ' ' A' ' 39' ' ' CYS . 0.4 OUTLIER -77.37 -21.75 14.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 C-N-CA 120.556 -0.457 . . . . 0.0 110.814 -179.485 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.765 ' OD1' HG23 ' A' ' 29' ' ' THR . 0.2 OUTLIER -105.81 -2.0 23.64 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.03 -179.655 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.765 HG23 ' OD1' ' A' ' 28' ' ' ASN . 34.2 p -117.29 -48.48 2.62 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.789 0.328 . . . . 0.0 110.332 179.657 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.55 168.9 10.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.207 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 44.1 t -158.38 124.01 4.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.876 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -174.47 133.5 0.38 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.113 179.626 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.6 pt -39.03 -39.84 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.786 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -74.57 -51.68 13.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.964 -179.639 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.06 -52.35 61.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.771 0.32 . . . . 0.0 110.271 -179.687 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 27.1 mt -66.07 -49.82 66.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.039 -179.493 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.81 -51.23 61.62 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.305 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.61 -50.79 68.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.391 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.584 ' SG ' HD12 ' A' ' 27' ' ' ILE . 24.3 t -51.14 -49.63 60.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.371 179.75 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.41 ' HB2' HH11 ' A' ' 40' ' ' ARG . 18.0 mtp-105 -58.82 -47.14 85.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.418 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -54.78 -37.8 66.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.422 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 -67.56 -48.62 66.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.425 179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -58.09 -52.91 63.57 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.353 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 -61.29 -43.92 98.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.429 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 52.9 ttt85 -57.56 -46.84 83.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.441 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.45 ' NH1' ' HZ3' ' A' ' 17' ' ' LYS . 15.4 tpp180 -61.63 -47.01 87.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.63 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.5 mt -69.44 -27.6 65.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.333 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -68.72 -53.23 23.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.631 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 23.6 m -68.76 -34.44 64.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.569 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -65.9 -43.81 87.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.639 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 27.5 m80 -77.72 -29.5 51.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.595 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.05 -61.91 1.65 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.64 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 24.9 m95 -57.87 -17.73 18.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.606 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.43 -25.39 50.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.476 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 38.3 t -62.89 -48.88 77.07 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.57 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 21.5 mtpp -71.16 69.63 0.52 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.599 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 48.87 -104.7 0.13 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.617 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.477 ' HZ2' ' HD2' ' A' ' 60' ' ' ARG . 17.7 tttm -168.69 94.71 0.35 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.456 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 76.8 mttt -68.72 66.54 0.13 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.873 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.477 ' HD2' ' HZ2' ' A' ' 58' ' ' LYS . 44.7 mtt85 . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 117.946 -1.026 . . . . 0.0 110.349 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.674 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.7 p -77.82 172.59 13.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.727 0.299 . . . . 0.0 110.526 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.9 mttp -147.16 111.67 5.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.622 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 30.0 mtpt -79.85 -43.63 21.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.557 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -134.08 151.52 51.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.504 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -155.65 110.29 2.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.199 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.8 mt -122.91 60.88 1.02 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.404 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.6 t -40.63 -49.52 3.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.883 0.373 . . . . 0.0 110.301 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -164.49 127.95 2.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.925 -0.579 . . . . 0.0 109.726 179.309 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.541 ' CG ' ' OE2' ' A' ' 22' ' ' GLU . 3.3 m0 -121.97 161.22 23.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.899 -179.757 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.8 mptt -94.8 159.28 15.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.224 179.551 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.7 p90 -62.3 -38.47 89.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.488 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.99 -62.21 1.98 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.226 -179.661 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.541 ' OE2' ' CG ' ' A' ' 18' ' ' TRP . 20.1 pt-20 -60.59 -36.7 79.18 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.853 -179.338 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.3 mt -54.71 -56.04 23.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.886 0.374 . . . . 0.0 110.187 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 -61.5 -50.61 72.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.766 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -55.86 -54.05 49.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.913 -179.601 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.6 m -58.2 -35.57 71.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.379 -179.385 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.564 HD12 ' SG ' ' A' ' 39' ' ' CYS . 0.7 OUTLIER -77.85 -21.83 13.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.862 -179.511 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.767 ' OD1' HG23 ' A' ' 29' ' ' THR . 0.2 OUTLIER -104.69 -3.23 23.94 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.935 -179.735 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.767 HG23 ' OD1' ' A' ' 28' ' ' ASN . 34.1 p -116.14 -48.21 2.74 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.783 0.325 . . . . 0.0 110.477 179.673 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.98 168.22 11.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.201 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 43.7 t -158.32 123.74 4.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.843 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 33' ' ' ILE . 4.1 t0 -174.5 133.41 0.38 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.11 179.787 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.4 ' C ' ' O ' ' A' ' 32' ' ' ASP . 1.7 pt -38.79 -40.0 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.689 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -74.63 -52.29 12.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.091 -179.647 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.78 -52.52 59.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.862 0.363 . . . . 0.0 110.23 -179.575 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 29.6 mt -65.13 -52.3 56.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.962 -179.612 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.05 -49.07 67.09 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.31 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.33 -46.47 86.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.456 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.564 ' SG ' HD12 ' A' ' 27' ' ' ILE . 14.1 t -53.55 -50.6 65.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.177 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 48.9 ttt85 -58.4 -47.63 83.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.293 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -55.02 -39.77 69.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.442 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -65.4 -47.52 76.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.561 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.74 -53.3 59.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.177 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 29.2 t60 -56.66 -43.61 80.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.408 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 57.5 ttp85 -63.95 -51.37 64.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.518 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 21.4 ttp180 -49.48 -51.93 32.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.497 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.0 mp -64.04 -35.58 81.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.277 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 30.1 tptt -55.84 -52.44 64.03 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.644 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.543 ' O ' ' N ' ' A' ' 53' ' ' TRP . 27.7 m -71.63 -31.95 43.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.645 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 42.8 t80 -58.02 -43.48 86.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.541 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -89.64 -24.55 21.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.745 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -97.81 5.4 49.15 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.698 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.543 ' N ' ' O ' ' A' ' 49' ' ' VAL . 0.4 OUTLIER -66.51 -8.31 25.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.321 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -71.45 -68.24 0.46 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.463 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 50.5 p -81.57 84.08 6.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.736 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.412 ' NZ ' ' CE3' ' A' ' 53' ' ' TRP . 2.1 tppt? -86.0 137.19 32.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.414 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.454 ' C ' ' H ' ' A' ' 59' ' ' LYS . 94.2 m-20 -81.31 6.09 15.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.71 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.1 mmmm -75.44 36.18 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.536 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.454 ' H ' ' C ' ' A' ' 57' ' ' ASN . 82.8 mttt -149.59 -166.66 2.61 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.476 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.474 ' N ' ' CD ' ' A' ' 60' ' ' ARG . 0.9 OUTLIER . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.489 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.631 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.6 p -71.51 171.08 11.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.74 0.305 . . . . 0.0 110.483 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 52.6 mttm -60.81 103.91 0.31 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.571 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.418 ' HG3' ' H ' ' A' ' 13' ' ' TYR . 12.4 ptmt -41.13 -50.88 3.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.664 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.418 ' H ' ' HG3' ' A' ' 12' ' ' LYS . 5.5 m-85 -137.66 149.7 46.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.127 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -140.15 109.66 6.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.475 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 16' ' ' SER . 17.9 mt -126.63 56.97 1.45 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.308 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 15' ' ' LEU . 4.2 t -38.49 -50.77 1.57 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.993 0.425 . . . . 0.0 110.452 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.9 tmtp? -164.4 128.33 2.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.57 179.179 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 2.9 m0 -120.69 164.09 17.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.093 -179.641 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.459 ' HB3' ' HZ3' ' A' ' 19' ' ' LYS . 5.5 mmmm -97.61 149.27 22.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.322 179.659 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -53.22 -39.08 63.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.585 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.22 -63.0 1.42 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.143 -179.585 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -61.04 -33.54 73.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.077 -179.312 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.3 mt -58.03 -56.25 24.38 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.383 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.7 ttm180 -63.95 -47.47 80.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.639 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -56.51 -53.94 51.68 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.683 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.0 m -58.56 -35.56 72.56 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.273 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.608 HD12 ' SG ' ' A' ' 39' ' ' CYS . 0.5 OUTLIER -77.2 -21.98 14.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 C-N-CA 120.496 -0.482 . . . . 0.0 110.751 -179.521 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.768 ' OD1' HG23 ' A' ' 29' ' ' THR . 0.2 OUTLIER -105.09 -3.52 23.0 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.997 -179.622 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.768 HG23 ' OD1' ' A' ' 28' ' ' ASN . 35.3 p -116.48 -48.31 2.7 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.746 0.307 . . . . 0.0 110.351 179.736 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.58 168.81 11.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.195 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 9.6 t -158.45 123.86 4.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.998 0.427 . . . . 0.0 110.771 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 33' ' ' ILE . 1.7 t70 -174.65 131.85 0.35 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.987 179.671 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.401 ' C ' ' O ' ' A' ' 32' ' ' ASP . 1.8 pt -38.77 -39.16 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.653 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -75.24 -51.21 13.85 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.072 -179.528 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.97 -52.42 60.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.862 0.363 . . . . 0.0 110.122 -179.698 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.8 mt -65.67 -50.63 64.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.965 -179.561 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.93 -48.73 67.09 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.287 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.75 -43.72 88.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.416 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.608 ' SG ' HD12 ' A' ' 27' ' ' ILE . 22.4 t -58.56 -51.01 71.72 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.396 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -57.74 -49.0 78.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.529 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -54.94 -40.98 70.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.575 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -68.37 -36.64 79.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.556 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.34 -53.11 48.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.477 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 35.7 m-70 -60.9 -46.89 88.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.496 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 56.4 ttt180 -55.47 -48.2 74.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.586 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 54.5 ttp180 -64.19 -39.3 93.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.525 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 22.7 mt -71.61 -33.91 69.39 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.656 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.0 tmtt? -66.8 -53.64 30.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.532 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.52 ' O ' ' N ' ' A' ' 53' ' ' TRP . 19.4 m -67.32 -39.54 83.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.686 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.478 ' N ' HG23 ' A' ' 49' ' ' VAL . 49.4 t80 -65.36 -42.29 92.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.708 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 48.2 t60 -75.93 -30.28 58.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.666 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.466 ' C ' ' N ' ' A' ' 54' ' ' LYS . . . -97.29 -2.09 43.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.707 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.52 ' N ' ' O ' ' A' ' 49' ' ' VAL . 0.5 OUTLIER -47.59 -14.41 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.574 -179.899 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.466 ' N ' ' C ' ' A' ' 52' ' ' ALA . 34.6 mmtt 39.76 95.71 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.851 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.41 ' C ' ' N ' ' A' ' 57' ' ' ASN . 58.5 m -152.26 112.99 4.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.467 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.412 ' O ' ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -53.49 -11.88 0.39 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.375 -179.909 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.482 ' CG ' ' H ' ' A' ' 58' ' ' LYS . 62.9 t30 46.49 -172.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.453 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.482 ' H ' ' CG ' ' A' ' 57' ' ' ASN . 28.4 tptt -157.54 122.45 4.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.581 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 32.1 pttt -98.12 75.17 2.29 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.541 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 65.3 mtm180 . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.531 179.978 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.636 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.2 p -76.61 163.64 26.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.817 0.342 . . . . 0.0 110.52 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 44.8 mtmt -84.04 32.35 0.49 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.574 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.9 mmmm -51.69 -54.45 28.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.548 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -138.41 150.54 46.61 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.375 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -148.28 109.69 4.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.421 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.1 mt -123.13 59.9 1.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.362 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.8 t -38.81 -50.49 1.69 Allowed 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.398 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.9 tptp -164.26 128.09 2.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.741 179.326 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.523 ' CG ' ' OE2' ' A' ' 22' ' ' GLU . 3.3 m0 -121.78 165.59 15.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.954 -179.74 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.565 ' H ' ' CD ' ' A' ' 22' ' ' GLU . 25.7 mmtp -100.38 163.68 12.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.81 0.338 . . . . 0.0 110.391 179.705 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 92.0 t80 -65.8 -39.8 91.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.624 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.95 -57.26 13.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.082 -179.674 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.565 ' CD ' ' H ' ' A' ' 19' ' ' LYS . 11.6 pt-20 -63.87 -37.43 87.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.991 -179.507 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.0 mt -55.7 -55.94 26.31 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.349 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -61.79 -49.97 74.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.769 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -55.99 -54.09 48.99 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.796 -179.677 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.5 m -58.36 -35.44 71.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.435 -179.486 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.535 HD12 ' SG ' ' A' ' 39' ' ' CYS . 0.8 OUTLIER -78.11 -21.43 13.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.768 -179.554 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.769 ' OD1' HG23 ' A' ' 29' ' ' THR . 0.2 OUTLIER -105.5 -2.76 23.26 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-N 116.654 -0.248 . . . . 0.0 111.059 -179.747 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.769 HG23 ' OD1' ' A' ' 28' ' ' ASN . 34.5 p -116.94 -48.25 2.66 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.858 0.361 . . . . 0.0 110.374 179.667 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.09 168.14 11.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.118 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 35.8 t -158.32 123.83 4.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.691 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 33' ' ' ILE . 1.9 t0 -174.63 131.9 0.35 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.949 179.652 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.413 ' C ' ' O ' ' A' ' 32' ' ' ASP . 1.8 pt -38.37 -39.07 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.678 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -75.11 -52.23 11.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.003 -179.669 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.03 -52.62 60.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.901 0.382 . . . . 0.0 110.167 -179.821 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 29.8 mt -64.13 -52.27 59.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.822 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.02 -49.87 65.37 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.081 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.1 -48.87 79.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.424 179.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.535 ' SG ' HD12 ' A' ' 27' ' ' ILE . 8.1 t -51.42 -47.79 62.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.128 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.33 -47.31 86.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.363 179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -54.78 -36.75 65.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.309 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -69.27 -47.59 64.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.452 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -57.39 -52.52 65.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.264 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 79.3 m-70 -58.18 -50.08 74.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.495 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -59.36 -54.9 41.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.546 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 55.8 mmt-85 -51.43 -37.57 49.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.518 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.6 tp -71.45 -38.89 71.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.748 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -65.47 -53.29 44.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.718 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.505 HG23 ' N ' ' A' ' 50' ' ' TYR . 26.2 m -64.19 -41.52 92.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.599 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.505 ' N ' HG23 ' A' ' 49' ' ' VAL . 90.0 t80 -59.95 -45.88 91.22 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.523 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 42.3 t-80 -74.02 -28.15 61.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.549 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -79.26 -29.56 42.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.583 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -53.73 -53.12 56.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.293 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 56' ' ' LYS . 7.3 tmtm? -85.25 -60.41 2.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.422 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.7 t 42.13 -95.12 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.709 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 54' ' ' LYS . 32.9 ttmt -155.36 118.72 4.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.443 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 53.5 p-10 -157.64 14.97 0.24 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.465 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -74.41 60.75 0.87 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.553 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 68.3 mttt -77.15 62.15 2.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.569 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 54.6 mtt180 . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 118.045 -0.979 . . . . 0.0 110.585 -179.97 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.618 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.9 t -45.19 163.65 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.79 0.329 . . . . 0.0 110.593 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.3 ptpp? -98.87 -17.71 18.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.523 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -44.35 -57.66 3.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.592 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -133.93 141.4 47.3 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.394 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -136.65 110.57 8.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.308 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 16' ' ' SER . 19.6 mt -123.76 59.46 1.13 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.308 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 15' ' ' LEU . 2.1 t -38.42 -51.38 1.55 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.378 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.6 tmtt? -164.47 128.38 2.55 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.698 179.263 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.532 ' CG ' ' OE2' ' A' ' 22' ' ' GLU . 2.6 m0 -121.33 163.67 18.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.07 -179.572 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.9 mptt -97.05 163.0 13.13 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.258 179.604 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.62 ' CD2' ' N ' ' A' ' 21' ' ' ALA . 52.7 p90 -63.58 -49.06 74.87 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.613 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.62 ' N ' ' CD2' ' A' ' 20' ' ' TYR . . . -50.11 -54.66 19.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.657 -179.357 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.532 ' OE2' ' CG ' ' A' ' 18' ' ' TRP . 24.4 pt-20 -68.11 -35.84 78.79 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.76 -0.376 . . . . 0.0 111.197 -179.065 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.3 mt -55.66 -56.62 18.25 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.43 -0.508 . . . . 0.0 110.563 -179.674 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -65.38 -47.64 75.66 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.389 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -54.63 -53.75 50.6 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.651 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.2 m -59.98 -35.22 74.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.226 -179.718 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.566 HD12 ' SG ' ' A' ' 39' ' ' CYS . 0.6 OUTLIER -77.61 -20.14 13.99 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 C-N-CA 120.566 -0.454 . . . . 0.0 110.866 -179.423 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.765 ' OD1' HG23 ' A' ' 29' ' ' THR . 0.2 OUTLIER -105.92 -5.74 19.42 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.979 -179.569 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.765 HG23 ' OD1' ' A' ' 28' ' ' ASN . 35.2 p -113.84 -48.64 2.91 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.805 0.335 . . . . 0.0 110.426 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.04 168.51 11.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.179 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 44.7 t -158.32 123.7 4.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.931 0.396 . . . . 0.0 110.79 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 33' ' ' ILE . 1.1 t70 -174.63 131.55 0.35 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.977 179.689 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 32' ' ' ASP . 1.7 pt -38.44 -38.92 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.627 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -75.2 -52.26 11.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.987 -179.649 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.95 -52.58 60.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.876 0.369 . . . . 0.0 110.094 -179.762 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 28.0 mt -64.72 -50.79 65.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.968 -179.591 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.88 -49.38 65.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.962 0.41 . . . . 0.0 110.233 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.3 -46.53 83.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.391 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.566 ' SG ' HD12 ' A' ' 27' ' ' ILE . 12.0 t -54.47 -51.97 63.35 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.29 179.766 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 46.7 mtp180 -57.64 -45.58 85.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.371 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -54.72 -41.47 70.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.202 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -64.84 -48.63 73.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.373 179.747 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -57.13 -52.52 64.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.207 179.761 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 60.1 t60 -57.73 -41.12 81.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.572 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 58.2 ttt180 -63.06 -51.88 64.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.53 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 32.4 ttt-85 -55.25 -41.0 71.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.491 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 13.0 mt -72.91 -32.33 65.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.491 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -67.42 -53.12 31.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.508 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.492 HG23 ' N ' ' A' ' 50' ' ' TYR . 19.2 m -67.06 -40.09 84.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.462 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.529 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 94.0 t80 -64.11 -36.06 82.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.402 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 51.3 t-80 -83.24 -32.14 26.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.513 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.45 ' C ' ' N ' ' A' ' 54' ' ' LYS . . . -87.82 -7.67 56.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.551 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.529 ' CD1' ' O ' ' A' ' 50' ' ' TYR . 0.8 OUTLIER -47.53 -15.94 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.653 -179.909 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.45 ' N ' ' C ' ' A' ' 52' ' ' ALA . 31.7 pttt -94.98 -32.7 13.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.528 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.416 ' N ' ' O ' ' A' ' 52' ' ' ALA . 8.7 t -46.57 -46.5 19.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.671 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -141.76 80.12 1.71 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.532 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 47.6 p-10 -75.45 9.83 1.97 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.494 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.415 ' CG ' ' H ' ' A' ' 59' ' ' LYS . 3.4 tppt? -67.54 -129.41 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.488 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.415 ' H ' ' CG ' ' A' ' 58' ' ' LYS . 80.8 mttt -49.33 154.05 0.94 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.554 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 40.5 mtp180 . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 117.93 -1.033 . . . . 0.0 110.556 -179.976 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.715 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.9 p -73.53 165.84 24.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.765 0.316 . . . . 0.0 110.514 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.515 ' NZ ' ' OD2' ' A' ' 14' ' ' ASP . 26.3 mtmm -83.72 -164.25 0.89 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.598 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.5 mmmt -74.31 -81.04 0.07 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.501 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.43 ' O ' ' OD1' ' A' ' 14' ' ' ASP . 11.2 m-85 -123.29 140.25 53.21 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.394 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.515 ' OD2' ' NZ ' ' A' ' 11' ' ' LYS . 63.3 m-20 -138.19 109.7 7.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.262 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.3 mt -125.16 57.36 1.3 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.339 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.7 t -39.76 -50.1 2.34 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.363 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.9 tmtp? -164.41 128.38 2.57 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.604 179.294 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.527 ' CG ' ' OE2' ' A' ' 22' ' ' GLU . 2.8 m0 -120.47 163.93 17.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.023 -179.61 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.412 ' H ' ' HD2' ' A' ' 19' ' ' LYS . 4.8 mptt -96.44 153.97 17.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.165 179.533 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -57.34 -39.31 75.63 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.935 0.397 . . . . 0.0 110.639 -179.719 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.03 -63.24 1.27 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.331 -179.528 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.527 ' OE2' ' CG ' ' A' ' 18' ' ' TRP . 26.6 pt-20 -60.74 -36.2 78.3 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.099 -179.311 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.5 mt -55.21 -56.09 23.88 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.143 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.8 ttm-85 -62.02 -50.57 71.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.646 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -55.54 -54.11 48.0 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.956 -179.566 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.8 m -58.44 -35.65 72.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.43 -179.476 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.604 HD12 ' SG ' ' A' ' 39' ' ' CYS . 0.6 OUTLIER -78.25 -21.17 13.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.802 -179.354 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.764 ' OD1' HG23 ' A' ' 29' ' ' THR . 0.2 OUTLIER -105.54 -3.08 22.81 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.0 -179.708 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.764 HG23 ' OD1' ' A' ' 28' ' ' ASN . 35.3 p -116.65 -48.37 2.68 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.903 0.382 . . . . 0.0 110.357 179.662 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.14 168.23 11.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.152 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 29.3 t -158.26 123.83 4.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.891 0.376 . . . . 0.0 110.763 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 33' ' ' ILE . 2.0 t70 -174.43 133.14 0.38 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.081 179.578 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.402 ' C ' ' O ' ' A' ' 32' ' ' ASP . 1.7 pt -38.44 -40.05 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.749 -179.731 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -74.67 -51.74 13.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.07 -179.642 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.87 -52.54 60.15 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.23 -179.643 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.9 mt -65.43 -52.36 53.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.991 -179.594 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.94 -48.85 67.02 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.28 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.88 -44.13 90.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.441 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.604 ' SG ' HD12 ' A' ' 27' ' ' ILE . 32.1 t -57.11 -50.69 72.01 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.256 179.679 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 45.0 mtp180 -59.22 -42.97 92.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.453 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -60.36 -36.69 78.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.338 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -68.44 -46.53 69.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.484 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.49 ' CD1' ' NH2' ' A' ' 46' ' ' ARG . 0.5 OUTLIER -58.76 -51.61 69.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.388 179.918 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -61.1 -43.58 98.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.506 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -64.67 -55.39 20.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.649 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.49 ' NH2' ' CD1' ' A' ' 43' ' ' PHE . 19.0 ttp85 -53.5 -39.76 64.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.538 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.7 tp -62.53 -56.47 17.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.444 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? -61.95 -49.01 77.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.265 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 20.3 t -49.78 -47.72 22.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.394 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.434 ' O ' ' N ' ' A' ' 54' ' ' LYS . 2.6 m-85 -64.2 -59.17 4.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.268 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 13.6 m170 -48.32 -31.41 5.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.362 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -84.84 -67.18 0.82 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.463 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -54.41 -14.26 1.17 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.275 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -145.28 102.57 3.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.309 -179.905 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.5 p -128.72 -28.4 2.47 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.613 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 21.4 ttmt -171.66 93.95 0.16 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.619 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.486 ' C ' ' H ' ' A' ' 59' ' ' LYS . 4.1 m-20 -96.59 21.88 8.75 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.54 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -74.89 25.8 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.489 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.486 ' H ' ' C ' ' A' ' 57' ' ' ASN . 62.8 mttt -142.81 -175.5 4.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.45 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 15.8 mmm-85 . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.508 -179.99 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 16' ' ' SER . 13.7 mt . . . . . 0 N--CA 1.461 0.098 0 CA-C-O 120.774 0.321 . . . . 0.0 110.431 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 15' ' ' LEU . 2.0 t -39.03 -50.05 1.77 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.952 0.406 . . . . 0.0 110.415 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 44.2 tptt -164.31 128.31 2.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.787 179.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.51 ' CG ' ' OE2' ' A' ' 22' ' ' GLU . 2.9 m0 -121.47 165.36 15.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.969 -179.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.569 ' H ' ' CD ' ' A' ' 22' ' ' GLU . 19.3 mmtm -97.82 164.13 12.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.196 179.655 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -66.9 -41.88 86.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.937 0.398 . . . . 0.0 110.561 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.21 -56.07 26.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.177 -179.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.569 ' CD ' ' H ' ' A' ' 19' ' ' LYS . 14.5 pt-20 -64.85 -38.54 91.32 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.973 -179.479 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.4 mt -54.44 -56.24 20.72 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.308 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 55.5 ttt180 -62.67 -49.6 74.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.802 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -55.86 -54.06 49.16 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.746 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.7 m -58.29 -35.87 72.48 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.374 -179.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.562 HD12 ' SG ' ' A' ' 39' ' ' CYS . 0.6 OUTLIER -77.5 -21.65 14.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 120.492 -0.483 . . . . 0.0 110.809 -179.448 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.899 ' ND2' HG23 ' A' ' 29' ' ' THR . 0.0 OUTLIER -105.59 -2.96 22.88 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.064 -179.653 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.899 HG23 ' ND2' ' A' ' 28' ' ' ASN . 35.3 p -116.78 -48.17 2.68 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.746 0.308 . . . . 0.0 110.477 179.595 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.85 168.68 11.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.175 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 48.2 t -158.44 123.78 4.39 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.903 0.382 . . . . 0.0 110.854 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -174.59 132.73 0.36 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.11 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.7 pt -38.38 -39.94 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.85 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -74.41 -52.08 13.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.155 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.85 -52.54 60.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.826 0.346 . . . . 0.0 110.246 -179.627 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 25.9 mt -65.22 -51.81 58.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.931 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.03 -49.19 66.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.881 0.372 . . . . 0.0 110.295 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.57 -48.8 75.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.48 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.562 ' SG ' HD12 ' A' ' 27' ' ' ILE . 12.7 t -53.36 -49.43 67.18 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.268 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 47.9 mtp180 -59.57 -45.12 92.77 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.551 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -54.72 -44.19 73.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.392 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.514 ' N ' ' OE1' ' A' ' 42' ' ' GLU . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.464 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.466 ' O ' ' C ' ' A' ' 16' ' ' SER . 10.5 mt . . . . . 0 CA--C 1.521 -0.17 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.466 ' C ' ' O ' ' A' ' 15' ' ' LEU . 0.7 OUTLIER -32.75 -43.39 0.09 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.499 -179.742 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.4 tptm -164.16 127.71 2.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.902 178.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.53 ' CG ' ' OE2' ' A' ' 22' ' ' GLU . 2.9 m0 -123.74 161.71 24.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.868 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.407 ' H ' ' HD2' ' A' ' 19' ' ' LYS . 6.9 mptt -93.94 158.03 15.83 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.321 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -61.17 -40.4 93.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.887 0.375 . . . . 0.0 110.873 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.94 -62.21 1.85 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.308 -179.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.53 ' OE2' ' CG ' ' A' ' 18' ' ' TRP . 22.5 pt-20 -60.58 -37.59 81.83 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.088 -179.266 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.8 mt -54.52 -56.07 22.68 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.35 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -62.15 -51.2 68.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.835 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -55.65 -54.1 48.32 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.956 -179.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.8 m -57.92 -36.21 72.15 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.347 -179.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.579 HD12 ' SG ' ' A' ' 39' ' ' CYS . 0.7 OUTLIER -77.79 -21.5 13.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.815 -179.426 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.906 ' ND2' HG23 ' A' ' 29' ' ' THR . 0.0 OUTLIER -105.03 -2.84 23.92 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.044 -179.791 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.906 HG23 ' ND2' ' A' ' 28' ' ' ASN . 35.3 p -116.93 -48.15 2.67 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.833 0.349 . . . . 0.0 110.444 179.688 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.02 167.74 11.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.247 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 45.3 t -158.34 123.95 4.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.81 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -174.55 134.34 0.39 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.073 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.6 pt -38.74 -41.27 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.705 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -74.9 -51.77 12.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.099 -179.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.86 -52.38 60.6 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.272 -179.649 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 32.9 mt -65.36 -51.94 57.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.939 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.99 -51.76 60.53 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.289 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.416 ' HB1' ' CD1' ' A' ' 15' ' ' LEU . . . -60.03 -47.42 85.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.298 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.579 ' SG ' HD12 ' A' ' 27' ' ' ILE . 11.6 t -54.22 -46.9 72.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.172 179.752 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 31.4 ttm180 -59.47 -46.55 88.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.373 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -54.77 -44.95 74.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.295 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.352 179.741 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 16' ' ' SER . 15.1 mt . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.674 0.273 . . . . 0.0 110.283 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 15' ' ' LEU . 1.6 t -38.59 -50.37 1.58 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.445 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -163.53 127.94 2.87 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.855 179.26 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 3.1 m0 -123.22 152.28 41.42 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.994 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.76 160.27 18.86 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 179.631 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -63.76 -37.3 86.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.964 0.412 . . . . 0.0 110.346 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.9 -59.5 5.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.159 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.407 ' O ' ' OG1' ' A' ' 26' ' ' THR . 14.9 pt-20 -62.12 -37.72 86.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.98 -179.521 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.7 mt -55.38 -56.04 24.7 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.247 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 57.8 ttt180 -62.01 -50.18 73.07 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.796 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 29' ' ' THR . 20.1 t70 -56.25 -54.14 48.88 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 -179.658 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.407 ' OG1' ' O ' ' A' ' 22' ' ' GLU . 6.6 m -57.88 -35.88 71.6 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.47 -179.552 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.574 HD12 ' SG ' ' A' ' 39' ' ' CYS . 0.7 OUTLIER -77.74 -21.76 13.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 C-N-CA 120.476 -0.49 . . . . 0.0 110.811 -179.517 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.912 ' ND2' HG23 ' A' ' 29' ' ' THR . 0.0 OUTLIER -105.04 -2.56 24.27 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.01 -179.756 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.912 HG23 ' ND2' ' A' ' 28' ' ' ASN . 34.8 p -117.32 -48.39 2.62 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.872 0.368 . . . . 0.0 110.387 179.669 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.56 168.45 11.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.191 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 10.4 t -158.4 123.84 4.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.772 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 33' ' ' ILE . 4.9 t0 -174.47 132.07 0.37 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.076 179.675 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 32' ' ' ASP . 1.7 pt -38.55 -38.95 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.725 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -75.1 -51.64 12.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.029 -179.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.96 -52.41 60.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.781 0.324 . . . . 0.0 110.238 -179.758 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.3 mt -65.49 -50.86 63.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.823 -179.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.85 -47.5 67.73 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.155 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.79 -44.67 85.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.225 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.574 ' SG ' HD12 ' A' ' 27' ' ' ILE . 13.2 t -56.59 -50.7 71.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.1 179.703 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 21.2 mtp85 -58.12 -46.98 84.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.373 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -54.79 -41.29 70.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.384 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.402 179.977 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 16' ' ' SER . 15.0 mt . . . . . 0 N--CA 1.461 0.09 0 N-CA-C 110.097 -0.335 . . . . 0.0 110.097 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 15' ' ' LEU . 1.7 t -35.93 -52.11 0.73 Allowed 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.646 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 43.3 tptt -164.49 128.33 2.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.891 179.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.532 ' CG ' ' OE2' ' A' ' 22' ' ' GLU . 3.3 m0 -121.53 164.83 16.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.926 -179.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.56 ' H ' ' CD ' ' A' ' 22' ' ' GLU . 32.1 mmtm -99.81 163.25 12.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.811 0.338 . . . . 0.0 110.409 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -65.23 -39.3 92.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.787 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.37 -57.83 11.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.135 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.56 ' CD ' ' H ' ' A' ' 19' ' ' LYS . 11.7 pt-20 -63.32 -36.74 84.69 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.869 -179.482 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.0 mt -56.48 -56.02 26.45 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.31 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 58.9 ttt180 -61.31 -50.49 72.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.775 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 29' ' ' THR . 14.2 t70 -55.79 -54.17 47.76 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 -179.632 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.8 m -58.24 -35.42 71.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.403 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.554 HD12 ' SG ' ' A' ' 39' ' ' CYS . 0.6 OUTLIER -78.03 -21.59 13.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.769 -179.475 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.899 ' ND2' HG23 ' A' ' 29' ' ' THR . 0.0 OUTLIER -105.71 -2.67 23.03 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.983 -179.665 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.899 HG23 ' ND2' ' A' ' 28' ' ' ASN . 35.8 p -116.88 -48.48 2.66 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.862 0.363 . . . . 0.0 110.39 179.614 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.81 168.58 11.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.114 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 24.5 t -158.41 123.74 4.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.979 0.418 . . . . 0.0 110.779 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 33' ' ' ILE . 1.0 OUTLIER -174.74 131.32 0.33 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.014 179.689 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.403 ' C ' ' O ' ' A' ' 32' ' ' ASP . 1.8 pt -38.64 -38.29 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.659 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -75.52 -51.83 12.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.916 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.05 -52.44 60.86 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.077 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 25.9 mt -64.57 -51.03 64.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.732 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.89 -49.45 65.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.932 0.396 . . . . 0.0 110.005 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.424 ' O ' ' OE2' ' A' ' 42' ' ' GLU . . . -63.56 -48.13 78.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.199 179.666 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.554 ' SG ' HD12 ' A' ' 27' ' ' ILE . 11.3 t -55.2 -45.71 75.85 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.19 179.63 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 44.3 ttt85 -59.85 -46.0 90.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.393 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 -54.75 -50.91 67.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.327 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.491 ' N ' ' OE1' ' A' ' 42' ' ' GLU . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.306 179.624 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.7 mt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.649 0.261 . . . . 0.0 110.387 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.6 t -39.99 -49.39 2.49 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.938 0.399 . . . . 0.0 110.292 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.4 tmtt? -164.44 128.07 2.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.792 179.294 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.524 ' CG ' ' OE2' ' A' ' 22' ' ' GLU . 2.7 m0 -121.23 166.28 14.23 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.941 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.433 ' H ' ' CD ' ' A' ' 22' ' ' GLU . 23.7 mmtm -97.38 159.29 15.01 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 179.473 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.565 ' CD1' ' N ' ' A' ' 21' ' ' ALA . 48.8 p90 -63.38 -39.6 94.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.943 0.402 . . . . 0.0 110.641 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.565 ' N ' ' CD1' ' A' ' 20' ' ' TYR . . . -58.14 -60.14 4.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.17 -179.642 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.524 ' OE2' ' CG ' ' A' ' 18' ' ' TRP . 22.5 pt-20 -61.59 -37.01 82.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.928 -179.41 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.5 mt -55.46 -56.01 25.11 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.262 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 64.9 ttt180 -61.53 -50.02 74.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.783 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -56.17 -54.06 49.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.994 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.1 m -58.18 -35.51 71.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.403 -179.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.561 HD12 ' SG ' ' A' ' 39' ' ' CYS . 0.7 OUTLIER -77.92 -22.07 13.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 C-N-CA 120.58 -0.448 . . . . 0.0 110.756 -179.47 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.91 ' ND2' HG23 ' A' ' 29' ' ' THR . 0.0 OUTLIER -104.18 -3.78 23.95 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.929 -179.645 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.91 HG23 ' ND2' ' A' ' 28' ' ' ASN . 34.2 p -115.8 -48.27 2.76 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.895 0.379 . . . . 0.0 110.388 179.751 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.0 168.05 11.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.251 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 42.6 t -158.36 123.89 4.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.729 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 33' ' ' ILE . 1.9 t70 -174.56 132.79 0.36 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.015 179.693 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.411 ' C ' ' O ' ' A' ' 32' ' ' ASP . 1.7 pt -37.91 -40.12 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.731 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -74.71 -52.84 10.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.016 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.87 -52.65 59.78 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.195 -179.705 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 33.0 mt -64.22 -52.99 56.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.966 -179.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.93 -51.93 59.6 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.325 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.48 -46.35 89.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.465 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.561 ' SG ' HD12 ' A' ' 27' ' ' ILE . 12.3 t -54.69 -51.98 63.82 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.304 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 65.4 mtp85 -55.65 -46.5 77.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.444 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -54.75 -44.24 73.43 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.285 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.321 179.841 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.9 mt . . . . . 0 N--CA 1.46 0.071 0 CA-C-O 120.72 0.295 . . . . 0.0 110.276 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.9 t -39.19 -50.68 1.93 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.322 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.8 tmtt? -164.45 128.11 2.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.785 179.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.528 ' CG ' ' OE2' ' A' ' 22' ' ' GLU . 3.3 m0 -121.51 165.84 15.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.101 -0.499 . . . . 0.0 109.801 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.569 ' H ' ' CD ' ' A' ' 22' ' ' GLU . 23.4 mmtm -100.88 163.71 12.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.778 0.323 . . . . 0.0 110.396 179.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.435 ' CG ' ' N ' ' A' ' 21' ' ' ALA . 41.1 p90 -65.24 -39.85 93.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.715 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.435 ' N ' ' CG ' ' A' ' 20' ' ' TYR . . . -59.41 -57.45 12.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.143 -179.684 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.569 ' CD ' ' H ' ' A' ' 19' ' ' LYS . 11.6 pt-20 -63.8 -36.17 83.02 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.93 -179.419 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.4 mt -57.13 -55.93 28.3 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.324 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 -61.54 -50.63 71.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.735 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -55.62 -54.06 48.86 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.953 -179.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.407 ' OG1' ' O ' ' A' ' 22' ' ' GLU . 7.7 m -58.38 -35.56 72.19 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.459 -179.442 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.599 HD12 ' SG ' ' A' ' 39' ' ' CYS . 0.6 OUTLIER -78.31 -21.45 13.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.506 -0.478 . . . . 0.0 110.803 -179.422 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.913 ' ND2' HG23 ' A' ' 29' ' ' THR . 0.0 OUTLIER -104.26 -3.72 23.92 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.806 -179.855 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.913 HG23 ' ND2' ' A' ' 28' ' ' ASN . 34.2 p -115.74 -48.79 2.75 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.866 0.365 . . . . 0.0 110.293 179.62 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.57 168.6 11.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.165 179.671 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.8 t -158.32 123.83 4.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.968 0.413 . . . . 0.0 110.895 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 33' ' ' ILE . 1.8 t70 -174.55 132.14 0.36 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.025 179.684 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.409 ' C ' ' O ' ' A' ' 32' ' ' ASP . 1.8 pt -38.16 -39.62 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.772 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -74.83 -51.47 13.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.112 -179.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.95 -52.46 60.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.815 0.341 . . . . 0.0 110.129 -179.709 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 22.8 mt -65.42 -52.05 56.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.911 -179.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.83 -49.93 64.72 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.183 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.6 -42.85 99.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.302 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.599 ' SG ' HD12 ' A' ' 27' ' ' ILE . 18.5 t -56.84 -52.32 65.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.145 179.739 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 87.4 mtt180 -56.25 -46.43 79.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.293 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -54.64 -43.59 72.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.293 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.452 179.832 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.8 mt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.664 0.269 . . . . 0.0 110.377 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.6 t -39.71 -49.88 2.3 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.922 0.391 . . . . 0.0 110.347 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -164.22 128.21 2.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.642 179.118 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.464 ' CD2' ' OE2' ' A' ' 22' ' ' GLU . 3.1 m0 -122.17 159.93 26.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.019 -179.665 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.539 ' H ' ' CD ' ' A' ' 22' ' ' GLU . 0.1 OUTLIER -94.57 164.21 13.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.296 179.839 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.447 ' CD1' ' N ' ' A' ' 21' ' ' ALA . 18.0 p90 -66.99 -38.8 86.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.566 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.447 ' N ' ' CD1' ' A' ' 20' ' ' TYR . . . -58.97 -56.27 24.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.112 -179.734 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.539 ' CD ' ' H ' ' A' ' 19' ' ' LYS . 12.3 pt-20 -64.74 -38.72 91.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.962 -179.654 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.3 mt -54.84 -56.21 21.87 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.264 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 69.9 ttt-85 -61.81 -49.73 75.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.782 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -56.59 -53.91 52.07 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.84 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 22' ' ' GLU . 6.3 m -58.16 -35.62 71.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.336 -179.509 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.602 HD12 ' SG ' ' A' ' 39' ' ' CYS . 0.5 OUTLIER -77.54 -22.64 14.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.774 -179.474 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.902 ' ND2' HG23 ' A' ' 29' ' ' THR . 0.0 OUTLIER -103.39 -4.12 24.55 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.9 -179.721 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.902 HG23 ' ND2' ' A' ' 28' ' ' ASN . 34.6 p -115.59 -48.24 2.78 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.836 0.351 . . . . 0.0 110.372 179.615 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.38 168.83 10.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.205 179.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 43.9 t -158.33 123.96 4.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.956 0.408 . . . . 0.0 110.853 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 33' ' ' ILE . 3.5 t0 -174.61 131.73 0.35 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.05 179.689 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.413 ' C ' ' O ' ' A' ' 32' ' ' ASP . 1.8 pt -37.69 -39.7 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.844 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -74.75 -52.21 12.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.063 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.95 -52.55 60.3 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.129 -179.705 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 27.3 mt -64.32 -51.75 61.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.818 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.03 -52.33 58.8 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.383 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.34 -45.86 91.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.325 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.602 ' SG ' HD12 ' A' ' 27' ' ' ILE . 49.5 t -53.9 -50.23 66.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.263 179.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 66.1 mtt85 -58.23 -46.34 86.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.319 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -54.65 -40.9 69.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.303 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.418 179.837 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.2 mt . . . . . 0 N--CA 1.461 0.077 0 CA-C-O 120.725 0.298 . . . . 0.0 110.431 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.8 t -40.28 -50.0 2.74 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.945 0.402 . . . . 0.0 110.408 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.21 128.21 2.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.74 179.358 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.522 ' CG ' ' OE2' ' A' ' 22' ' ' GLU . 2.8 m0 -121.33 167.34 12.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.09 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.559 ' H ' ' CD ' ' A' ' 22' ' ' GLU . 46.5 mmtt -99.97 165.33 11.59 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.809 0.337 . . . . 0.0 110.397 179.745 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -67.36 -43.4 81.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.659 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.83 -55.11 36.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.181 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.559 ' CD ' ' H ' ' A' ' 19' ' ' LYS . 14.7 pt-20 -66.41 -38.78 88.24 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.14 -179.403 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.0 mt -54.24 -56.32 19.52 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.212 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 58.6 ttt180 -63.12 -49.2 75.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.712 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -55.74 -53.94 50.42 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.707 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.5 m -58.85 -35.54 73.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.316 -179.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.571 HD12 ' SG ' ' A' ' 39' ' ' CYS . 0.6 OUTLIER -78.12 -20.65 13.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 C-N-CA 120.427 -0.509 . . . . 0.0 110.89 -179.423 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.917 ' ND2' HG23 ' A' ' 29' ' ' THR . 0.0 OUTLIER -105.65 -3.84 21.75 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.976 -179.869 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.917 HG23 ' ND2' ' A' ' 28' ' ' ASN . 34.5 p -115.55 -48.7 2.77 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.819 0.342 . . . . 0.0 110.357 179.661 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.42 168.74 11.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.171 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 44.3 t -158.37 123.84 4.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.863 0.363 . . . . 0.0 110.834 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 33' ' ' ILE . 1.7 t70 -174.58 132.85 0.36 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.099 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 32' ' ' ASP . 1.7 pt -38.59 -39.7 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.826 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -74.9 -51.95 12.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.046 -179.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.69 -52.13 61.01 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.182 -179.54 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.2 mt -65.49 -52.94 49.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.84 -179.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.02 -47.41 68.35 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.338 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.64 -42.87 95.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.253 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.571 ' SG ' HD12 ' A' ' 27' ' ' ILE . 16.7 t -57.27 -52.28 65.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.007 0.432 . . . . 0.0 110.148 179.636 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.23 -40.66 86.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.299 179.751 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -61.11 -42.7 99.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.419 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.436 179.905 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.0 mt . . . . . 0 C--O 1.232 0.151 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.2 t -39.45 -50.64 2.13 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.932 0.396 . . . . 0.0 110.474 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.37 128.11 2.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.715 179.334 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.517 ' CG ' ' OE2' ' A' ' 22' ' ' GLU . 3.0 m0 -121.39 167.21 13.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.938 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.539 ' H ' ' CD ' ' A' ' 22' ' ' GLU . 25.0 mmtp -100.31 162.68 12.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.356 179.694 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -65.48 -40.03 92.63 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.566 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.41 -58.27 9.23 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.094 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.539 ' CD ' ' H ' ' A' ' 19' ' ' LYS . 15.4 pt-20 -63.17 -37.52 87.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.937 -179.43 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.9 mt -55.36 -56.03 24.78 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.32 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 47.2 ttp180 -61.91 -50.16 73.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.859 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -56.04 -54.15 48.37 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.768 -179.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.5 m -58.02 -35.77 71.74 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.48 -179.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.603 HD12 ' SG ' ' A' ' 39' ' ' CYS . 0.7 OUTLIER -78.25 -21.37 13.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 C-N-CA 120.416 -0.514 . . . . 0.0 110.761 -179.358 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.916 ' ND2' HG23 ' A' ' 29' ' ' THR . 0.0 OUTLIER -105.0 -3.13 23.63 Favored 'General case' 0 N--CA 1.462 0.172 0 C-N-CA 121.013 -0.275 . . . . 0.0 110.987 -179.841 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.916 HG23 ' ND2' ' A' ' 28' ' ' ASN . 34.9 p -116.58 -48.3 2.69 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.805 0.336 . . . . 0.0 110.348 179.669 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.41 168.76 11.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.14 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.0 t -158.45 123.99 4.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.764 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 33' ' ' ILE . 2.0 t70 -174.6 132.54 0.36 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.01 179.647 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.405 ' C ' ' O ' ' A' ' 32' ' ' ASP . 1.7 pt -38.45 -39.55 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.762 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -74.97 -51.67 13.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.057 -179.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.81 -52.4 60.44 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.223 -179.708 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.9 mt -65.41 -52.47 53.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.862 -179.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.9 -49.07 66.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.874 0.368 . . . . 0.0 110.227 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.16 -44.91 94.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.516 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.603 ' SG ' HD12 ' A' ' 27' ' ' ILE . 14.0 t -55.03 -52.34 63.47 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.272 179.753 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 31.5 mtp85 -57.19 -46.19 83.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.307 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -56.98 -40.41 76.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.417 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.44 179.931 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.7 mt . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.73 0.3 . . . . 0.0 110.265 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 t -39.53 -50.3 2.18 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.38 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -164.42 128.11 2.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.786 179.376 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 3.2 m0 -121.42 165.58 15.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.893 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.8 mmtp -100.74 152.77 20.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.761 0.315 . . . . 0.0 110.338 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -55.7 -38.7 70.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.646 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.91 -63.1 1.42 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.222 -179.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -59.84 -33.38 71.71 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.924 -179.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.6 mt -58.24 -55.99 27.84 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.181 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -61.19 -50.25 73.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.788 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -56.17 -54.13 48.83 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.028 -179.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.5 m -58.27 -35.41 71.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.422 -179.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.584 HD12 ' SG ' ' A' ' 39' ' ' CYS . 0.6 OUTLIER -78.03 -22.1 13.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 C-N-CA 120.471 -0.492 . . . . 0.0 110.765 -179.409 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.915 ' ND2' HG23 ' A' ' 29' ' ' THR . 0.0 OUTLIER -104.22 -3.68 24.01 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.958 -179.668 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.915 HG23 ' ND2' ' A' ' 28' ' ' ASN . 34.4 p -115.84 -48.56 2.75 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.938 0.399 . . . . 0.0 110.367 179.737 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.31 168.54 11.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.148 179.692 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 11.6 t -158.23 123.85 4.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.898 0.38 . . . . 0.0 110.831 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 33' ' ' ILE . 1.7 t70 -174.61 131.52 0.35 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.018 179.635 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.411 ' C ' ' O ' ' A' ' 32' ' ' ASP . 1.8 pt -38.36 -38.72 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.77 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -75.26 -51.86 12.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.986 -179.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.79 -52.59 59.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.945 0.402 . . . . 0.0 110.151 -179.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.7 mt -64.88 -52.12 58.26 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.965 -179.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.81 -49.16 66.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.968 0.414 . . . . 0.0 110.18 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.26 -44.47 95.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.268 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.584 ' SG ' HD12 ' A' ' 27' ' ' ILE . 14.4 t -56.59 -51.47 68.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.18 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 50.4 ttt180 -55.6 -50.02 71.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.315 179.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -54.66 -46.72 74.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.251 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.247 179.652 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.9 mt . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.666 0.27 . . . . 0.0 110.442 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.8 t -40.3 -50.09 2.77 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.959 0.409 . . . . 0.0 110.254 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -164.56 128.21 2.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.541 179.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 3.3 m0 -121.29 165.7 15.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.922 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.2 mmtp -101.11 153.17 19.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.395 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 58.6 t80 -55.89 -38.55 70.34 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.663 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.01 -63.18 1.4 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.153 -179.571 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.432 ' O ' ' OG1' ' A' ' 26' ' ' THR . 16.2 pt-20 -59.83 -33.65 72.05 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.866 -0.334 . . . . 0.0 110.947 -179.395 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.5 mt -58.11 -56.03 27.29 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.295 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 55.2 ttp180 -61.43 -50.12 74.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.774 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -56.13 -54.08 49.41 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.972 -179.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' A' ' 22' ' ' GLU . 8.7 m -58.39 -35.43 72.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.347 -179.534 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.548 HD12 ' SG ' ' A' ' 39' ' ' CYS . 0.6 OUTLIER -77.68 -22.2 13.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 C-N-CA 120.591 -0.443 . . . . 0.0 110.8 -179.472 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.907 ' ND2' HG23 ' A' ' 29' ' ' THR . 0.0 OUTLIER -104.31 -3.63 23.96 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.007 -179.705 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.907 HG23 ' ND2' ' A' ' 28' ' ' ASN . 35.4 p -116.08 -48.14 2.74 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.862 0.363 . . . . 0.0 110.472 179.69 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.44 167.94 11.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.23 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 49.2 t -158.25 123.84 4.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.96 0.409 . . . . 0.0 110.76 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -174.59 132.77 0.36 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.044 179.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.7 pt -38.79 -39.78 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.702 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -75.19 -51.75 12.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.101 -179.611 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.77 -52.32 60.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.871 0.367 . . . . 0.0 110.191 -179.745 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 30.3 mt -65.43 -52.01 56.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.834 -179.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.86 -49.32 66.04 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.236 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.44 -46.23 89.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.3 179.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.548 ' SG ' HD12 ' A' ' 27' ' ' ILE . 11.1 t -55.62 -51.8 65.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.157 179.719 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 73.7 ttt-85 -55.12 -48.26 73.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.45 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 40.5 mm-40 -54.6 -47.32 73.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.579 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.566 -179.978 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 16' ' ' SER . 20.3 mt . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.718 0.294 . . . . 0.0 110.273 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 15' ' ' LEU . 1.9 t -38.97 -51.27 1.8 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.365 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -164.37 128.03 2.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.875 179.344 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.534 ' CG ' ' OE2' ' A' ' 22' ' ' GLU . 2.8 m0 -122.02 161.21 23.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.849 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.409 ' H ' ' CD ' ' A' ' 22' ' ' GLU . 7.0 mptt -93.83 161.94 14.12 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.863 0.363 . . . . 0.0 110.194 179.657 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.601 ' CD1' ' N ' ' A' ' 21' ' ' ALA . 38.9 p90 -64.63 -40.83 96.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.724 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.601 ' N ' ' CD1' ' A' ' 20' ' ' TYR . . . -56.34 -58.91 5.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.201 -179.518 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.534 ' OE2' ' CG ' ' A' ' 18' ' ' TRP . 20.7 pt-20 -63.57 -38.26 90.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.076 -179.344 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.5 mt -53.69 -56.22 19.26 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.226 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.7 ttt-85 -62.86 -49.13 76.1 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.791 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -56.19 -53.92 51.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.3 m -58.38 -35.7 72.38 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.344 -179.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.584 HD12 ' SG ' ' A' ' 39' ' ' CYS . 0.7 OUTLIER -77.99 -21.14 13.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.744 -179.473 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.911 ' ND2' HG23 ' A' ' 29' ' ' THR . 0.0 OUTLIER -105.58 -3.23 22.59 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.081 -179.731 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.911 HG23 ' ND2' ' A' ' 28' ' ' ASN . 34.0 p -116.23 -48.58 2.71 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.932 0.396 . . . . 0.0 110.32 179.716 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.44 166.21 12.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.102 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 42.2 t -156.85 123.67 5.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.979 0.418 . . . . 0.0 110.693 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 33' ' ' ILE . 4.4 t0 -174.66 131.1 0.34 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.956 179.709 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.414 ' C ' ' O ' ' A' ' 32' ' ' ASP . 1.8 pt -38.07 -38.48 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.753 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -75.62 -51.78 12.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.051 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.04 -52.45 60.8 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.042 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 25.1 mt -64.84 -49.66 69.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.95 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.403 ' HB2' ' O ' ' A' ' 33' ' ' ILE . . . -52.97 -49.49 66.03 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.109 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.3 -44.26 92.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.204 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.584 ' SG ' HD12 ' A' ' 27' ' ' ILE . 10.2 t -55.94 -50.11 71.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.225 179.74 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -59.0 -46.03 89.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.279 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -54.75 -41.73 70.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.239 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.411 179.848 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 16' ' ' SER . 29.5 mt . . . . . 0 N--CA 1.462 0.149 0 N-CA-C 110.132 -0.322 . . . . 0.0 110.132 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 15' ' ' LEU . 1.9 t -36.75 -51.83 0.89 Allowed 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.506 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -164.28 127.88 2.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.987 -0.552 . . . . 0.0 109.86 179.288 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.533 ' CG ' ' OE2' ' A' ' 22' ' ' GLU . 3.4 m0 -122.54 161.97 22.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 0.0 109.884 -179.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.581 ' H ' ' CD ' ' A' ' 22' ' ' GLU . 54.4 mmtt -97.75 164.03 12.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.911 0.386 . . . . 0.0 110.442 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 20.4 p90 -66.33 -38.04 86.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.611 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.45 -56.87 16.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.023 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.581 ' CD ' ' H ' ' A' ' 19' ' ' LYS . 11.6 pt-20 -63.94 -37.47 87.54 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.804 -179.505 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.7 mt -56.07 -55.75 29.21 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.079 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.6 tpp85 -60.61 -51.35 69.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.77 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.479 ' O ' ' OG1' ' A' ' 29' ' ' THR . 13.8 t70 -56.08 -54.18 48.11 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.008 -179.517 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.9 m -58.25 -35.24 71.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.569 -179.266 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.61 HD12 ' SG ' ' A' ' 39' ' ' CYS . 0.9 OUTLIER -78.99 -21.24 12.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 C-N-CA 120.438 -0.505 . . . . 0.0 110.72 -179.412 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.925 ' ND2' HG23 ' A' ' 29' ' ' THR . 0.0 OUTLIER -105.53 -2.29 23.77 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.963 -179.778 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.925 HG23 ' ND2' ' A' ' 28' ' ' ASN . 35.6 p -117.91 -48.34 2.56 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.816 0.341 . . . . 0.0 110.353 179.654 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.5 167.42 12.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.131 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 38.3 t -158.36 123.71 4.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.768 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 33' ' ' ILE . 2.4 t0 -174.58 131.62 0.35 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.844 -0.617 . . . . 0.0 109.954 179.71 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.409 ' C ' ' O ' ' A' ' 32' ' ' ASP . 1.8 pt -38.83 -38.47 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.643 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -75.5 -51.75 12.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.935 -179.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.06 -52.67 60.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.887 0.375 . . . . 0.0 110.199 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.3 mt -64.62 -50.23 67.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.654 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.03 -45.55 68.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.979 0.418 . . . . 0.0 110.004 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.416 ' HB1' HD11 ' A' ' 15' ' ' LEU . . . -68.27 -40.6 81.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.239 179.714 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.61 ' SG ' HD12 ' A' ' 27' ' ' ILE . 8.9 t -60.37 -50.58 73.04 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.157 179.676 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 58.8 mtt-85 -58.93 -49.85 76.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.091 179.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -59.69 -35.72 75.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.189 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 . . . . . 0 N--CA 1.451 -0.407 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.258 179.712 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 16' ' ' SER . 14.0 mt . . . . . 0 C--O 1.232 0.133 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 15' ' ' LEU . 1.7 t -36.56 -51.18 0.83 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.663 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 39.9 tptt -164.2 128.23 2.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.939 179.378 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.536 ' CG ' ' OE2' ' A' ' 22' ' ' GLU . 2.9 m0 -122.45 159.27 27.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.955 -179.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.47 ' H ' ' CD ' ' A' ' 22' ' ' GLU . 7.1 mptt -92.99 163.29 13.72 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.401 179.649 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -65.21 -41.29 94.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.624 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.09 -58.06 9.51 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.206 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.536 ' OE2' ' CG ' ' A' ' 18' ' ' TRP . 15.5 pt-20 -63.99 -39.29 93.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.135 -179.365 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.5 mt -53.26 -56.01 19.96 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.56 -0.456 . . . . 0.0 110.271 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 -62.75 -50.69 70.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.819 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -55.41 -53.96 49.7 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.944 -179.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.3 m -58.53 -35.79 72.83 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.375 -179.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.592 HD12 ' SG ' ' A' ' 39' ' ' CYS . 0.8 OUTLIER -78.41 -20.6 13.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 120.444 -0.503 . . . . 0.0 110.794 -179.442 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.916 ' ND2' HG23 ' A' ' 29' ' ' THR . 0.0 OUTLIER -105.9 -2.87 22.48 Favored 'General case' 0 N--CA 1.463 0.191 0 C-N-CA 120.956 -0.297 . . . . 0.0 111.03 -179.824 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.916 HG23 ' ND2' ' A' ' 28' ' ' ASN . 34.8 p -116.95 -48.42 2.65 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.805 0.336 . . . . 0.0 110.388 179.553 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.62 168.79 11.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.172 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 42.8 t -158.43 123.74 4.38 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.93 0.395 . . . . 0.0 110.796 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 33' ' ' ILE . 2.3 t70 -174.65 131.32 0.34 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.915 179.716 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.414 ' C ' ' O ' ' A' ' 32' ' ' ASP . 1.8 pt -38.01 -38.61 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.737 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -75.28 -52.2 11.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.87 -179.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.05 -52.45 60.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.94 0.4 . . . . 0.0 110.235 -179.783 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 25.6 mt -64.58 -52.04 59.64 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.968 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.0 -50.98 63.11 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.261 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.59 -46.33 90.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.291 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.592 ' SG ' HD12 ' A' ' 27' ' ' ILE . 12.1 t -53.36 -49.69 66.64 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.194 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 69.8 ttt-85 -58.93 -46.46 87.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.42 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -54.8 -40.17 69.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.36 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.48 179.827 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.0 mt . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.691 0.281 . . . . 0.0 110.394 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.3 t -39.26 -49.71 1.93 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.374 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 40.3 tptt -164.14 128.16 2.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.717 179.379 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.528 ' CG ' ' OE2' ' A' ' 22' ' ' GLU . 2.9 m0 -122.12 165.33 16.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.782 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.481 ' H ' ' CD ' ' A' ' 22' ' ' GLU . 21.9 mmtp -96.87 158.7 15.3 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 179.517 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -63.09 -38.14 89.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.873 0.368 . . . . 0.0 110.381 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.72 -60.52 3.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.101 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.528 ' OE2' ' CG ' ' A' ' 18' ' ' TRP . 18.3 pt-20 -61.09 -35.84 78.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.724 -179.431 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.3 mt -56.48 -55.94 27.47 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.08 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 52.6 ttt85 -61.81 -50.5 72.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.701 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.404 ' O ' ' N ' ' A' ' 29' ' ' THR . 24.8 t70 -55.86 -54.22 47.26 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.993 -179.618 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.422 ' OG1' ' O ' ' A' ' 22' ' ' GLU . 7.5 m -57.76 -36.05 71.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.332 -179.573 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.584 HD12 ' SG ' ' A' ' 39' ' ' CYS . 0.4 OUTLIER -77.37 -21.75 14.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 C-N-CA 120.556 -0.457 . . . . 0.0 110.814 -179.485 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.901 ' ND2' HG23 ' A' ' 29' ' ' THR . 0.0 OUTLIER -105.81 -2.0 23.64 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.03 -179.655 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.901 HG23 ' ND2' ' A' ' 28' ' ' ASN . 34.2 p -117.29 -48.48 2.62 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.789 0.328 . . . . 0.0 110.332 179.657 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.55 168.9 10.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.207 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 44.1 t -158.38 124.01 4.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.876 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -174.47 133.5 0.38 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.113 179.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.6 pt -39.03 -39.84 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.786 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -74.57 -51.68 13.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.964 -179.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.06 -52.35 61.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.771 0.32 . . . . 0.0 110.271 -179.687 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 27.1 mt -66.07 -49.82 66.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.039 -179.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.81 -51.23 61.62 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.305 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.61 -50.79 68.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.391 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.584 ' SG ' HD12 ' A' ' 27' ' ' ILE . 24.3 t -51.14 -49.63 60.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.371 179.75 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.41 ' HB2' HH11 ' A' ' 40' ' ' ARG . 18.0 mtp-105 -58.82 -47.14 85.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.418 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -54.78 -37.8 66.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.422 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.425 179.773 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.8 mt . . . . . 0 C--O 1.233 0.203 0 CA-C-O 120.631 0.253 . . . . 0.0 110.404 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.6 t -40.63 -49.52 3.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.883 0.373 . . . . 0.0 110.301 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -164.49 127.95 2.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.925 -0.579 . . . . 0.0 109.726 179.309 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.541 ' CG ' ' OE2' ' A' ' 22' ' ' GLU . 3.3 m0 -121.97 161.22 23.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.899 -179.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.8 mptt -94.8 159.28 15.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.224 179.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.7 p90 -62.3 -38.47 89.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.488 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.99 -62.21 1.98 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.226 -179.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.541 ' OE2' ' CG ' ' A' ' 18' ' ' TRP . 20.1 pt-20 -60.59 -36.7 79.18 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.853 -179.338 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.3 mt -54.71 -56.04 23.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.886 0.374 . . . . 0.0 110.187 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 -61.5 -50.61 72.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.766 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -55.86 -54.05 49.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.913 -179.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.6 m -58.2 -35.57 71.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.379 -179.385 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.564 HD12 ' SG ' ' A' ' 39' ' ' CYS . 0.7 OUTLIER -77.85 -21.83 13.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.862 -179.511 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.917 ' ND2' HG23 ' A' ' 29' ' ' THR . 0.0 OUTLIER -104.69 -3.23 23.94 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.935 -179.735 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.917 HG23 ' ND2' ' A' ' 28' ' ' ASN . 34.1 p -116.14 -48.21 2.74 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.783 0.325 . . . . 0.0 110.477 179.673 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.98 168.22 11.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.201 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 43.7 t -158.32 123.74 4.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.843 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 33' ' ' ILE . 4.1 t0 -174.5 133.41 0.38 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.11 179.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.4 ' C ' ' O ' ' A' ' 32' ' ' ASP . 1.7 pt -38.79 -40.0 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.689 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -74.63 -52.29 12.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.091 -179.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.78 -52.52 59.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.862 0.363 . . . . 0.0 110.23 -179.575 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 29.6 mt -65.13 -52.3 56.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.962 -179.612 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.05 -49.07 67.09 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.31 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.33 -46.47 86.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.456 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.564 ' SG ' HD12 ' A' ' 27' ' ' ILE . 14.1 t -53.55 -50.6 65.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.177 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 48.9 ttt85 -58.4 -47.63 83.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.293 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -55.02 -39.77 69.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.442 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.561 179.939 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 16' ' ' SER . 17.9 mt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.662 0.268 . . . . 0.0 110.308 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 15' ' ' LEU . 4.2 t -38.49 -50.77 1.57 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.993 0.425 . . . . 0.0 110.452 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.9 tmtp? -164.4 128.33 2.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.57 179.179 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 2.9 m0 -120.69 164.09 17.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.093 -179.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.459 ' HB3' ' HZ3' ' A' ' 19' ' ' LYS . 5.5 mmmm -97.61 149.27 22.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.322 179.659 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -53.22 -39.08 63.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.585 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.22 -63.0 1.42 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.143 -179.585 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -61.04 -33.54 73.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.077 -179.312 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.3 mt -58.03 -56.25 24.38 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.383 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.7 ttm180 -63.95 -47.47 80.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.639 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -56.51 -53.94 51.68 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.683 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.0 m -58.56 -35.56 72.56 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.273 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.608 HD12 ' SG ' ' A' ' 39' ' ' CYS . 0.5 OUTLIER -77.2 -21.98 14.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 C-N-CA 120.496 -0.482 . . . . 0.0 110.751 -179.521 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.901 ' ND2' HG23 ' A' ' 29' ' ' THR . 0.0 OUTLIER -105.09 -3.52 23.0 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.997 -179.622 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.901 HG23 ' ND2' ' A' ' 28' ' ' ASN . 35.3 p -116.48 -48.31 2.7 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.746 0.307 . . . . 0.0 110.351 179.736 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.58 168.81 11.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.195 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 9.6 t -158.45 123.86 4.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.998 0.427 . . . . 0.0 110.771 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 33' ' ' ILE . 1.7 t70 -174.65 131.85 0.35 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.987 179.671 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.401 ' C ' ' O ' ' A' ' 32' ' ' ASP . 1.8 pt -38.77 -39.16 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.653 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -75.24 -51.21 13.85 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.072 -179.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.97 -52.42 60.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.862 0.363 . . . . 0.0 110.122 -179.698 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.8 mt -65.67 -50.63 64.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.965 -179.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.93 -48.73 67.09 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.287 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.75 -43.72 88.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.416 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.608 ' SG ' HD12 ' A' ' 27' ' ' ILE . 22.4 t -58.56 -51.01 71.72 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.396 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -57.74 -49.0 78.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.529 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -54.94 -40.98 70.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.575 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.556 -179.871 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.1 mt . . . . . 0 N--CA 1.46 0.064 0 CA-C-O 120.768 0.318 . . . . 0.0 110.362 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.8 t -38.81 -50.49 1.69 Allowed 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.398 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.9 tptp -164.26 128.09 2.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.741 179.326 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.523 ' CG ' ' OE2' ' A' ' 22' ' ' GLU . 3.3 m0 -121.78 165.59 15.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.954 -179.74 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.565 ' H ' ' CD ' ' A' ' 22' ' ' GLU . 25.7 mmtp -100.38 163.68 12.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.81 0.338 . . . . 0.0 110.391 179.705 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 92.0 t80 -65.8 -39.8 91.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.624 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.95 -57.26 13.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.082 -179.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.565 ' CD ' ' H ' ' A' ' 19' ' ' LYS . 11.6 pt-20 -63.87 -37.43 87.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.991 -179.507 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.0 mt -55.7 -55.94 26.31 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.349 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -61.79 -49.97 74.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.769 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -55.99 -54.09 48.99 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.796 -179.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.5 m -58.36 -35.44 71.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.435 -179.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.535 HD12 ' SG ' ' A' ' 39' ' ' CYS . 0.8 OUTLIER -78.11 -21.43 13.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.768 -179.554 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.919 ' ND2' HG23 ' A' ' 29' ' ' THR . 0.0 OUTLIER -105.5 -2.76 23.26 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-N 116.654 -0.248 . . . . 0.0 111.059 -179.747 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.919 HG23 ' ND2' ' A' ' 28' ' ' ASN . 34.5 p -116.94 -48.25 2.66 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.858 0.361 . . . . 0.0 110.374 179.667 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.09 168.14 11.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.118 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 35.8 t -158.32 123.83 4.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.691 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 33' ' ' ILE . 1.9 t0 -174.63 131.9 0.35 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.949 179.652 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.413 ' C ' ' O ' ' A' ' 32' ' ' ASP . 1.8 pt -38.37 -39.07 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.678 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -75.11 -52.23 11.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.003 -179.669 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.03 -52.62 60.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.901 0.382 . . . . 0.0 110.167 -179.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 29.8 mt -64.13 -52.27 59.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.822 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.02 -49.87 65.37 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.081 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.1 -48.87 79.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.424 179.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.535 ' SG ' HD12 ' A' ' 27' ' ' ILE . 8.1 t -51.42 -47.79 62.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.128 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.33 -47.31 86.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.363 179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -54.78 -36.75 65.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.309 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.452 179.787 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 16' ' ' SER . 19.6 mt . . . . . 0 C--O 1.232 0.154 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 15' ' ' LEU . 2.1 t -38.42 -51.38 1.55 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.378 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.6 tmtt? -164.47 128.38 2.55 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.698 179.263 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.532 ' CG ' ' OE2' ' A' ' 22' ' ' GLU . 2.6 m0 -121.33 163.67 18.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.07 -179.572 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.9 mptt -97.05 163.0 13.13 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.258 179.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.62 ' CD2' ' N ' ' A' ' 21' ' ' ALA . 52.7 p90 -63.58 -49.06 74.87 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.613 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.62 ' N ' ' CD2' ' A' ' 20' ' ' TYR . . . -50.11 -54.66 19.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.657 -179.357 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.532 ' OE2' ' CG ' ' A' ' 18' ' ' TRP . 24.4 pt-20 -68.11 -35.84 78.79 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.76 -0.376 . . . . 0.0 111.197 -179.065 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.3 mt -55.66 -56.62 18.25 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.43 -0.508 . . . . 0.0 110.563 -179.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -65.38 -47.64 75.66 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.389 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -54.63 -53.75 50.6 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.651 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.2 m -59.98 -35.22 74.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.226 -179.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.566 HD12 ' SG ' ' A' ' 39' ' ' CYS . 0.6 OUTLIER -77.61 -20.14 13.99 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 C-N-CA 120.566 -0.454 . . . . 0.0 110.866 -179.423 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.892 ' ND2' HG23 ' A' ' 29' ' ' THR . 0.0 OUTLIER -105.92 -5.74 19.42 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.979 -179.569 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.892 HG23 ' ND2' ' A' ' 28' ' ' ASN . 35.2 p -113.84 -48.64 2.91 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.805 0.335 . . . . 0.0 110.426 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.04 168.51 11.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.179 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 44.7 t -158.32 123.7 4.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.931 0.396 . . . . 0.0 110.79 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 33' ' ' ILE . 1.1 t70 -174.63 131.55 0.35 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.977 179.689 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 32' ' ' ASP . 1.7 pt -38.44 -38.92 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.627 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -75.2 -52.26 11.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.987 -179.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.95 -52.58 60.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.876 0.369 . . . . 0.0 110.094 -179.762 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 28.0 mt -64.72 -50.79 65.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.968 -179.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.88 -49.38 65.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.962 0.41 . . . . 0.0 110.233 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.3 -46.53 83.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.391 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.566 ' SG ' HD12 ' A' ' 27' ' ' ILE . 12.0 t -54.47 -51.97 63.35 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.29 179.766 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 46.7 mtp180 -57.64 -45.58 85.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.371 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -54.72 -41.47 70.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.202 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.373 179.747 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.3 mt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.654 0.264 . . . . 0.0 110.339 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.7 t -39.76 -50.1 2.34 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.363 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.9 tmtp? -164.41 128.38 2.57 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.604 179.294 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.527 ' CG ' ' OE2' ' A' ' 22' ' ' GLU . 2.8 m0 -120.47 163.93 17.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.023 -179.61 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.412 ' H ' ' HD2' ' A' ' 19' ' ' LYS . 4.8 mptt -96.44 153.97 17.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.165 179.533 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -57.34 -39.31 75.63 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.935 0.397 . . . . 0.0 110.639 -179.719 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.03 -63.24 1.27 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.331 -179.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.527 ' OE2' ' CG ' ' A' ' 18' ' ' TRP . 26.6 pt-20 -60.74 -36.2 78.3 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.099 -179.311 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.5 mt -55.21 -56.09 23.88 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.143 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.8 ttm-85 -62.02 -50.57 71.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.646 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -55.54 -54.11 48.0 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.956 -179.566 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.8 m -58.44 -35.65 72.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.43 -179.476 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.604 HD12 ' SG ' ' A' ' 39' ' ' CYS . 0.6 OUTLIER -78.25 -21.17 13.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.802 -179.354 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.913 ' ND2' HG23 ' A' ' 29' ' ' THR . 0.0 OUTLIER -105.54 -3.08 22.81 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.0 -179.708 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.913 HG23 ' ND2' ' A' ' 28' ' ' ASN . 35.3 p -116.65 -48.37 2.68 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.903 0.382 . . . . 0.0 110.357 179.662 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.14 168.23 11.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.152 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 29.3 t -158.26 123.83 4.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.891 0.376 . . . . 0.0 110.763 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 33' ' ' ILE . 2.0 t70 -174.43 133.14 0.38 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.081 179.578 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.402 ' C ' ' O ' ' A' ' 32' ' ' ASP . 1.7 pt -38.44 -40.05 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.749 -179.731 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -74.67 -51.74 13.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.07 -179.642 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.87 -52.54 60.15 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.23 -179.643 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.9 mt -65.43 -52.36 53.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.991 -179.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.94 -48.85 67.02 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.28 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.88 -44.13 90.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.441 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.604 ' SG ' HD12 ' A' ' 27' ' ' ILE . 32.1 t -57.11 -50.69 72.01 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.256 179.679 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 45.0 mtp180 -59.22 -42.97 92.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.453 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -60.36 -36.69 78.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.338 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.484 179.937 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.607 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -75.67 147.45 39.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.871 0.367 . . . . 0.0 110.467 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 68.2 mttt -84.6 -163.03 0.75 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.621 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.1 mmmt -47.42 -68.7 0.17 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.456 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -127.95 150.85 49.71 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.322 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -149.25 109.68 4.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.332 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 16' ' ' SER . 13.7 mt -122.81 59.25 1.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.431 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 15' ' ' LEU . 2.0 t -39.03 -50.05 1.77 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.952 0.406 . . . . 0.0 110.415 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 44.2 tptt -164.31 128.31 2.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.787 179.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.51 ' CG ' ' OE2' ' A' ' 22' ' ' GLU . 2.9 m0 -121.47 165.36 15.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.969 -179.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.569 ' H ' ' CD ' ' A' ' 22' ' ' GLU . 19.3 mmtm -97.82 164.13 12.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.196 179.655 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -66.9 -41.88 86.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.937 0.398 . . . . 0.0 110.561 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.21 -56.07 26.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.177 -179.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.569 ' CD ' ' H ' ' A' ' 19' ' ' LYS . 14.5 pt-20 -64.85 -38.54 91.32 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.973 -179.479 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.4 mt -54.44 -56.24 20.72 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.308 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 55.5 ttt180 -62.67 -49.6 74.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.802 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -55.86 -54.06 49.16 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.746 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.7 m -58.29 -35.87 72.48 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.374 -179.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.562 HD12 ' SG ' ' A' ' 39' ' ' CYS . 0.6 OUTLIER -77.5 -21.65 14.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 120.492 -0.483 . . . . 0.0 110.809 -179.448 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.899 ' ND2' HG23 ' A' ' 29' ' ' THR . 0.0 OUTLIER -105.59 -2.96 22.88 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.064 -179.653 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.899 HG23 ' ND2' ' A' ' 28' ' ' ASN . 35.3 p -116.78 -48.17 2.68 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.746 0.308 . . . . 0.0 110.477 179.595 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.85 168.68 11.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.175 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 48.2 t -158.44 123.78 4.39 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.903 0.382 . . . . 0.0 110.854 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -174.59 132.73 0.36 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.11 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.7 pt -38.38 -39.94 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.85 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -74.41 -52.08 13.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.155 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.85 -52.54 60.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.826 0.346 . . . . 0.0 110.246 -179.627 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 25.9 mt -65.22 -51.81 58.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.931 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.03 -49.19 66.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.881 0.372 . . . . 0.0 110.295 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.57 -48.8 75.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.48 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.562 ' SG ' HD12 ' A' ' 27' ' ' ILE . 12.7 t -53.36 -49.43 67.18 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.268 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 47.9 mtp180 -59.57 -45.12 92.77 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.551 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -54.72 -44.19 73.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.392 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.514 ' N ' ' OE1' ' A' ' 42' ' ' GLU . 0.2 OUTLIER -66.31 -43.82 85.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.464 179.931 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.96 -52.79 61.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.284 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 16.4 t-80 -58.45 -39.51 80.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.559 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 32.3 ttm180 -62.65 -53.71 50.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.591 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 45.4 ttp85 -58.51 -38.61 78.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.527 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.9 mt -71.99 -32.45 67.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.494 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -65.87 -53.18 43.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.511 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.513 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 34.0 m -67.37 -39.73 83.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.482 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.46 ' N ' HG23 ' A' ' 49' ' ' VAL . 89.4 t80 -67.05 -30.15 70.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.454 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -80.31 -33.75 37.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.479 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.09 -33.55 63.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.553 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.513 ' CD1' ' O ' ' A' ' 49' ' ' VAL . 18.3 m0 -58.49 -73.63 0.07 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.546 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.522 ' O ' ' N ' ' A' ' 56' ' ' LYS . 36.4 pttt -49.14 -38.87 26.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.536 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 57' ' ' ASN . 40.2 m 55.08 -82.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.682 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.522 ' N ' ' O ' ' A' ' 54' ' ' LYS . 2.2 mmmm 54.32 -88.85 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.474 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 55' ' ' SER . 3.7 m120 -50.44 96.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.523 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.408 ' HB2' ' HZ3' ' A' ' 58' ' ' LYS . 0.4 OUTLIER -172.15 136.6 0.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.476 179.924 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 55.7 mttp -136.72 100.05 4.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.61 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 69.5 mtp85 . . . . . 0 C--O 1.221 -0.402 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.558 179.963 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.618 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.7 p -61.02 177.41 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.766 0.317 . . . . 0.0 110.557 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 54.1 mmtt -46.26 104.57 0.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.634 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 22.1 mtpp -79.36 -55.07 5.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.463 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -139.0 145.4 39.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.325 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.487 ' O ' HD23 ' A' ' 15' ' ' LEU . 12.4 t70 -140.18 118.63 12.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.393 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.487 HD23 ' O ' ' A' ' 14' ' ' ASP . 10.5 mt -139.0 40.44 2.13 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.466 ' C ' ' O ' ' A' ' 15' ' ' LEU . 0.7 OUTLIER -32.75 -43.39 0.09 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.499 -179.742 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.4 tptm -164.16 127.71 2.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.902 178.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.53 ' CG ' ' OE2' ' A' ' 22' ' ' GLU . 2.9 m0 -123.74 161.71 24.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.868 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.407 ' H ' ' HD2' ' A' ' 19' ' ' LYS . 6.9 mptt -93.94 158.03 15.83 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.321 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -61.17 -40.4 93.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.887 0.375 . . . . 0.0 110.873 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.94 -62.21 1.85 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.308 -179.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.53 ' OE2' ' CG ' ' A' ' 18' ' ' TRP . 22.5 pt-20 -60.58 -37.59 81.83 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.088 -179.266 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.8 mt -54.52 -56.07 22.68 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.35 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -62.15 -51.2 68.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.835 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -55.65 -54.1 48.32 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.956 -179.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.8 m -57.92 -36.21 72.15 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.347 -179.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.579 HD12 ' SG ' ' A' ' 39' ' ' CYS . 0.7 OUTLIER -77.79 -21.5 13.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.815 -179.426 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.906 ' ND2' HG23 ' A' ' 29' ' ' THR . 0.0 OUTLIER -105.03 -2.84 23.92 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.044 -179.791 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.906 HG23 ' ND2' ' A' ' 28' ' ' ASN . 35.3 p -116.93 -48.15 2.67 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.833 0.349 . . . . 0.0 110.444 179.688 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.02 167.74 11.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.247 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 45.3 t -158.34 123.95 4.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.81 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -174.55 134.34 0.39 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.073 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.6 pt -38.74 -41.27 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.705 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -74.9 -51.77 12.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.099 -179.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.86 -52.38 60.6 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.272 -179.649 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 32.9 mt -65.36 -51.94 57.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.939 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.99 -51.76 60.53 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.289 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.416 ' HB1' ' CD1' ' A' ' 15' ' ' LEU . . . -60.03 -47.42 85.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.298 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.579 ' SG ' HD12 ' A' ' 27' ' ' ILE . 11.6 t -54.22 -46.9 72.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.172 179.752 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 31.4 ttm180 -59.47 -46.55 88.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.373 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -54.77 -44.95 74.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.295 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -60.74 -51.32 69.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.352 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -59.24 -48.7 80.63 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.076 179.715 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 69.3 t60 -51.9 -46.42 64.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.413 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -60.48 -55.21 36.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.56 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -54.82 -42.35 71.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.402 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.2 mt -56.8 -56.55 20.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.463 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.517 ' O ' ' N ' ' A' ' 52' ' ' ALA . 9.1 mtmp? -65.22 -50.88 64.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.436 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 39.2 t -53.38 -42.26 47.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.357 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -69.38 -46.22 67.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.525 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 26.5 t-80 -74.2 -19.26 60.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.601 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.517 ' N ' ' O ' ' A' ' 48' ' ' LYS . . . -86.94 -57.16 3.08 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.621 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 29.1 m0 -50.19 -10.59 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.559 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.487 ' H ' ' C ' ' A' ' 52' ' ' ALA . 2.0 tmtp? -57.59 -51.85 67.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.66 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 40.1 m -50.46 118.85 3.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.566 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 18.4 mmmt -88.85 85.0 6.66 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.607 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 68.0 m-20 -85.24 158.63 20.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.573 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.443 ' O ' ' O ' ' A' ' 59' ' ' LYS . 72.9 tttt -161.88 -3.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.406 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.443 ' O ' ' O ' ' A' ' 58' ' ' LYS . 78.1 tttt 58.54 147.86 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.61 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 60.2 mtt85 . . . . . 0 C--O 1.221 -0.435 0 CA-C-O 118.024 -0.989 . . . . 0.0 110.593 179.909 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.671 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -74.93 149.91 39.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.774 0.321 . . . . 0.0 110.455 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.6 mtmt -82.89 -164.45 0.87 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.463 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -80.12 -54.07 6.11 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.527 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -128.91 150.69 50.26 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.343 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -142.7 111.37 6.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.426 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 16' ' ' SER . 15.1 mt -125.26 61.88 1.19 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.283 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 15' ' ' LEU . 1.6 t -38.59 -50.37 1.58 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.445 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -163.53 127.94 2.87 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.855 179.26 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 3.1 m0 -123.22 152.28 41.42 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.994 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.76 160.27 18.86 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 179.631 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -63.76 -37.3 86.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.964 0.412 . . . . 0.0 110.346 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.9 -59.5 5.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.159 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.407 ' O ' ' OG1' ' A' ' 26' ' ' THR . 14.9 pt-20 -62.12 -37.72 86.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.98 -179.521 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.7 mt -55.38 -56.04 24.7 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.247 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 57.8 ttt180 -62.01 -50.18 73.07 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.796 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 29' ' ' THR . 20.1 t70 -56.25 -54.14 48.88 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 -179.658 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.407 ' OG1' ' O ' ' A' ' 22' ' ' GLU . 6.6 m -57.88 -35.88 71.6 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.47 -179.552 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.574 HD12 ' SG ' ' A' ' 39' ' ' CYS . 0.7 OUTLIER -77.74 -21.76 13.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 C-N-CA 120.476 -0.49 . . . . 0.0 110.811 -179.517 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.912 ' ND2' HG23 ' A' ' 29' ' ' THR . 0.0 OUTLIER -105.04 -2.56 24.27 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.01 -179.756 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.912 HG23 ' ND2' ' A' ' 28' ' ' ASN . 34.8 p -117.32 -48.39 2.62 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.872 0.368 . . . . 0.0 110.387 179.669 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.56 168.45 11.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.191 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 10.4 t -158.4 123.84 4.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.772 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 33' ' ' ILE . 4.9 t0 -174.47 132.07 0.37 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.076 179.675 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 32' ' ' ASP . 1.7 pt -38.55 -38.95 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.725 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -75.1 -51.64 12.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.029 -179.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.96 -52.41 60.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.781 0.324 . . . . 0.0 110.238 -179.758 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.3 mt -65.49 -50.86 63.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.823 -179.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.85 -47.5 67.73 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.155 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.79 -44.67 85.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.225 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.574 ' SG ' HD12 ' A' ' 27' ' ' ILE . 13.2 t -56.59 -50.7 71.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.1 179.703 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 21.2 mtp85 -58.12 -46.98 84.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.373 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -54.79 -41.29 70.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.384 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -64.38 -49.55 71.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.402 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -58.4 -53.05 62.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.353 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 19.9 t60 -60.66 -31.62 70.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.521 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 26.6 ttt85 -69.32 -55.07 11.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.527 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 25.4 ttp85 -58.81 -36.55 74.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.735 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.5 mt -71.71 -38.23 70.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.422 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.4 tmtm? -61.84 -53.19 59.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.672 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.458 HG23 ' N ' ' A' ' 50' ' ' TYR . 34.1 m -66.74 -39.62 84.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.499 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.458 ' N ' HG23 ' A' ' 49' ' ' VAL . 51.1 t80 -55.15 -49.71 71.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.481 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 29.8 m80 -70.53 -35.67 73.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.499 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.58 -59.13 5.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.578 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.529 ' O ' ' N ' ' A' ' 55' ' ' SER . 14.1 m0 -62.43 -59.62 4.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.485 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 65.8 tttt 62.88 -69.9 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.495 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.529 ' N ' ' O ' ' A' ' 53' ' ' TRP . 10.7 t -65.49 -133.0 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.517 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.1 mmmm 45.37 30.43 0.7 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.6 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.494 ' CG ' ' H ' ' A' ' 58' ' ' LYS . 13.8 t-20 -160.89 -177.52 6.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.49 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.494 ' H ' ' CG ' ' A' ' 57' ' ' ASN . 21.5 tttp -70.86 0.51 7.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.5 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -90.56 57.14 3.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.67 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 70.8 mtp180 . . . . . 0 C--O 1.219 -0.514 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.42 179.933 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.67 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.83 120.48 10.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.77 0.319 . . . . 0.0 110.454 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.439 ' HZ3' ' HB3' ' A' ' 11' ' ' LYS . 0.4 OUTLIER -88.45 -165.78 1.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.591 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.4 mmmt -75.03 -59.65 2.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.566 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -127.22 146.14 50.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.375 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -135.76 111.87 9.66 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.498 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 16' ' ' SER . 15.0 mt -126.59 61.81 1.31 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.097 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 15' ' ' LEU . 1.7 t -35.93 -52.11 0.73 Allowed 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.646 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 43.3 tptt -164.49 128.33 2.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.891 179.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.532 ' CG ' ' OE2' ' A' ' 22' ' ' GLU . 3.3 m0 -121.53 164.83 16.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.926 -179.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.56 ' H ' ' CD ' ' A' ' 22' ' ' GLU . 32.1 mmtm -99.81 163.25 12.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.811 0.338 . . . . 0.0 110.409 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -65.23 -39.3 92.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.787 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.37 -57.83 11.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.135 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.56 ' CD ' ' H ' ' A' ' 19' ' ' LYS . 11.7 pt-20 -63.32 -36.74 84.69 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.869 -179.482 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.0 mt -56.48 -56.02 26.45 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.31 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 58.9 ttt180 -61.31 -50.49 72.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.775 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 29' ' ' THR . 14.2 t70 -55.79 -54.17 47.76 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 -179.632 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.8 m -58.24 -35.42 71.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.403 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.554 HD12 ' SG ' ' A' ' 39' ' ' CYS . 0.6 OUTLIER -78.03 -21.59 13.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.769 -179.475 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.899 ' ND2' HG23 ' A' ' 29' ' ' THR . 0.0 OUTLIER -105.71 -2.67 23.03 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.983 -179.665 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.899 HG23 ' ND2' ' A' ' 28' ' ' ASN . 35.8 p -116.88 -48.48 2.66 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.862 0.363 . . . . 0.0 110.39 179.614 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.81 168.58 11.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.114 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 24.5 t -158.41 123.74 4.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.979 0.418 . . . . 0.0 110.779 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 33' ' ' ILE . 1.0 OUTLIER -174.74 131.32 0.33 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.014 179.689 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.403 ' C ' ' O ' ' A' ' 32' ' ' ASP . 1.8 pt -38.64 -38.29 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.659 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -75.52 -51.83 12.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.916 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.05 -52.44 60.86 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.077 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 25.9 mt -64.57 -51.03 64.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.732 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.89 -49.45 65.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.932 0.396 . . . . 0.0 110.005 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.424 ' O ' ' OE2' ' A' ' 42' ' ' GLU . . . -63.56 -48.13 78.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.199 179.666 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.554 ' SG ' HD12 ' A' ' 27' ' ' ILE . 11.3 t -55.2 -45.71 75.85 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.19 179.63 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 44.3 ttt85 -59.85 -46.0 90.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.393 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 -54.75 -50.91 67.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.327 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.491 ' N ' ' OE1' ' A' ' 42' ' ' GLU . 0.3 OUTLIER -60.97 -43.89 98.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.306 179.624 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.21 -46.91 88.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.08 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 62.4 t60 -58.59 -40.93 84.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.24 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -61.09 -54.97 38.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.367 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.6 ttm105 -58.37 -40.49 82.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.461 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.472 ' O ' HD13 ' A' ' 47' ' ' LEU . 0.2 OUTLIER -56.46 -56.49 20.5 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.32 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.88 -51.61 46.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.467 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 54.8 t -53.68 -44.15 57.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.591 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -64.67 -51.95 59.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.415 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 66.0 t-80 -58.75 -31.47 68.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.476 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -78.72 -63.98 1.28 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.59 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 22.1 m0 -47.97 -53.78 14.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.395 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.5 ' O ' ' NZ ' ' A' ' 58' ' ' LYS . 5.4 tmtt? 46.18 94.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.561 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 57.7 m -116.1 -102.14 0.42 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.493 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.419 ' HE2' ' H ' ' A' ' 56' ' ' LYS . 7.2 mmpt? 54.22 40.79 32.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.551 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.402 ' O ' ' O ' ' A' ' 58' ' ' LYS . 22.7 m120 53.14 94.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.472 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.5 ' NZ ' ' O ' ' A' ' 54' ' ' LYS . 56.9 mttm -60.62 -133.75 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.589 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.8 pttp -68.16 173.76 4.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.667 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 51.5 mtm-85 . . . . . 0 C--O 1.219 -0.504 0 CA-C-O 117.995 -1.002 . . . . 0.0 110.584 179.963 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.686 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.9 t -76.87 176.65 8.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.832 0.349 . . . . 0.0 110.519 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.548 ' CG ' ' H ' ' A' ' 12' ' ' LYS . 0.3 OUTLIER -78.11 -97.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.531 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.548 ' H ' ' CG ' ' A' ' 11' ' ' LYS . 33.4 mtmt -131.81 -47.75 0.95 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.515 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -129.97 152.45 49.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.367 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -154.07 109.75 3.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.358 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.7 mt -123.05 60.95 1.03 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.387 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.6 t -39.99 -49.39 2.49 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.938 0.399 . . . . 0.0 110.292 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.4 tmtt? -164.44 128.07 2.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.792 179.294 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.524 ' CG ' ' OE2' ' A' ' 22' ' ' GLU . 2.7 m0 -121.23 166.28 14.23 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.941 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.433 ' H ' ' CD ' ' A' ' 22' ' ' GLU . 23.7 mmtm -97.38 159.29 15.01 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 179.473 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.565 ' CD1' ' N ' ' A' ' 21' ' ' ALA . 48.8 p90 -63.38 -39.6 94.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.943 0.402 . . . . 0.0 110.641 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.565 ' N ' ' CD1' ' A' ' 20' ' ' TYR . . . -58.14 -60.14 4.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.17 -179.642 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.524 ' OE2' ' CG ' ' A' ' 18' ' ' TRP . 22.5 pt-20 -61.59 -37.01 82.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.928 -179.41 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.427 HD13 HH21 ' A' ' 46' ' ' ARG . 2.5 mt -55.46 -56.01 25.11 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.262 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 64.9 ttt180 -61.53 -50.02 74.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.783 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -56.17 -54.06 49.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.994 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.1 m -58.18 -35.51 71.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.403 -179.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.561 HD12 ' SG ' ' A' ' 39' ' ' CYS . 0.7 OUTLIER -77.92 -22.07 13.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 C-N-CA 120.58 -0.448 . . . . 0.0 110.756 -179.47 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.91 ' ND2' HG23 ' A' ' 29' ' ' THR . 0.0 OUTLIER -104.18 -3.78 23.95 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.929 -179.645 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.91 HG23 ' ND2' ' A' ' 28' ' ' ASN . 34.2 p -115.8 -48.27 2.76 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.895 0.379 . . . . 0.0 110.388 179.751 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.0 168.05 11.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.251 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 42.6 t -158.36 123.89 4.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.729 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 33' ' ' ILE . 1.9 t70 -174.56 132.79 0.36 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.015 179.693 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.411 ' C ' ' O ' ' A' ' 32' ' ' ASP . 1.7 pt -37.91 -40.12 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.731 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -74.71 -52.84 10.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.016 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.87 -52.65 59.78 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.195 -179.705 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 33.0 mt -64.22 -52.99 56.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.966 -179.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.93 -51.93 59.6 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.325 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.48 -46.35 89.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.465 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.561 ' SG ' HD12 ' A' ' 27' ' ' ILE . 12.3 t -54.69 -51.98 63.82 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.304 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 65.4 mtp85 -55.65 -46.5 77.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.444 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -54.75 -44.24 73.43 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.285 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -60.65 -50.51 73.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.321 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -51.66 -52.99 43.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.199 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 18.5 t-80 -56.29 -42.35 77.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.271 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 54.1 ttt-85 -63.91 -49.18 73.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.448 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.427 HH21 HD13 ' A' ' 23' ' ' LEU . 21.7 ttm-85 -54.82 -44.02 73.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.415 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 17.1 mt -68.14 -35.76 78.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.855 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 45.9 tttp -68.01 -53.24 27.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.888 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.473 ' O ' ' N ' ' A' ' 53' ' ' TRP . 13.5 m -68.2 -39.11 80.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.617 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.52 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 69.3 t80 -63.24 -42.15 99.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.431 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 34.5 t-80 -81.94 -27.22 33.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.521 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -92.29 -5.14 52.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.588 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.52 ' CD1' ' O ' ' A' ' 50' ' ' TYR . 1.3 p-90 -47.59 -30.47 3.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.597 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.49 ' N ' ' CD1' ' A' ' 53' ' ' TRP . 18.0 ptmt -59.1 -36.53 75.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.542 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 57' ' ' ASN . 45.5 m 45.69 30.81 0.87 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.543 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 18.1 ttmt 55.08 -84.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.538 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.693 HD22 ' N ' ' A' ' 58' ' ' LYS . 0.4 OUTLIER -90.73 132.96 35.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.569 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.693 ' N ' HD22 ' A' ' 57' ' ' ASN . 17.0 mmtt -148.7 -1.27 0.51 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.294 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.6 tptm -104.43 35.15 2.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.384 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 17.1 mtm180 . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.587 179.925 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.702 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.1 p -75.3 150.36 38.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.786 0.327 . . . . 0.0 110.445 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.9 mtmm -104.12 -171.49 1.94 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.531 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.5 mtpt -136.09 -56.28 0.76 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.613 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -124.83 152.87 43.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.439 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -147.83 111.72 5.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.47 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.9 mt -125.72 61.44 1.24 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.276 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.9 t -39.19 -50.68 1.93 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.322 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.8 tmtt? -164.45 128.11 2.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.785 179.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.528 ' CG ' ' OE2' ' A' ' 22' ' ' GLU . 3.3 m0 -121.51 165.84 15.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.101 -0.499 . . . . 0.0 109.801 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.569 ' H ' ' CD ' ' A' ' 22' ' ' GLU . 23.4 mmtm -100.88 163.71 12.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.778 0.323 . . . . 0.0 110.396 179.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.435 ' CG ' ' N ' ' A' ' 21' ' ' ALA . 41.1 p90 -65.24 -39.85 93.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.715 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.435 ' N ' ' CG ' ' A' ' 20' ' ' TYR . . . -59.41 -57.45 12.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.143 -179.684 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.569 ' CD ' ' H ' ' A' ' 19' ' ' LYS . 11.6 pt-20 -63.8 -36.17 83.02 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.93 -179.419 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.4 mt -57.13 -55.93 28.3 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.324 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 -61.54 -50.63 71.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.735 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -55.62 -54.06 48.86 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.953 -179.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.407 ' OG1' ' O ' ' A' ' 22' ' ' GLU . 7.7 m -58.38 -35.56 72.19 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.459 -179.442 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.599 HD12 ' SG ' ' A' ' 39' ' ' CYS . 0.6 OUTLIER -78.31 -21.45 13.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.506 -0.478 . . . . 0.0 110.803 -179.422 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.913 ' ND2' HG23 ' A' ' 29' ' ' THR . 0.0 OUTLIER -104.26 -3.72 23.92 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.806 -179.855 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.913 HG23 ' ND2' ' A' ' 28' ' ' ASN . 34.2 p -115.74 -48.79 2.75 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.866 0.365 . . . . 0.0 110.293 179.62 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.57 168.6 11.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.165 179.671 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.8 t -158.32 123.83 4.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.968 0.413 . . . . 0.0 110.895 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 33' ' ' ILE . 1.8 t70 -174.55 132.14 0.36 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.025 179.684 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.409 ' C ' ' O ' ' A' ' 32' ' ' ASP . 1.8 pt -38.16 -39.62 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.772 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -74.83 -51.47 13.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.112 -179.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.95 -52.46 60.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.815 0.341 . . . . 0.0 110.129 -179.709 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 22.8 mt -65.42 -52.05 56.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.911 -179.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.83 -49.93 64.72 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.183 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.6 -42.85 99.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.302 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.599 ' SG ' HD12 ' A' ' 27' ' ' ILE . 18.5 t -56.84 -52.32 65.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.145 179.739 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 87.4 mtt180 -56.25 -46.43 79.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.293 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -54.64 -43.59 72.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.293 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -63.12 -44.6 95.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.452 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -55.95 -53.01 62.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.332 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 20.1 m-70 -57.12 -47.59 80.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.431 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 46.3 ttt-85 -61.06 -53.41 57.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.533 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.3 mmt85 -60.03 -36.03 76.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.625 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.0 tp -72.15 -41.93 66.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.545 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.3 tppt? -59.55 -53.45 57.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.607 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.494 HG23 ' N ' ' A' ' 50' ' ' TYR . 22.5 m -65.9 -41.01 89.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.478 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.494 ' N ' HG23 ' A' ' 49' ' ' VAL . 43.0 t80 -61.46 -29.78 70.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.299 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 30.2 m170 -80.05 -38.63 31.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.298 179.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.12 -47.58 83.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.58 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 54.3 m95 -50.83 -16.46 0.42 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.591 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 73.6 tttt -75.47 -61.76 1.8 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.552 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.9 m 53.85 -131.47 2.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.563 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.9 tppt? -158.38 -20.21 0.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.483 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -140.21 -155.88 0.63 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.452 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 70.1 tttt 47.63 47.23 17.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.456 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 58.4 mttt -65.87 101.78 0.7 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.658 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 66.7 mtt-85 . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.526 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.726 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.9 p -74.56 176.82 6.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.846 0.355 . . . . 0.0 110.484 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -63.32 94.58 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.529 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 25.2 mtpt -46.53 -66.74 0.36 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.626 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -127.9 153.92 46.11 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.404 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -152.28 109.84 3.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.313 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.8 mt -124.05 61.08 1.11 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.377 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.6 t -39.71 -49.88 2.3 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.922 0.391 . . . . 0.0 110.347 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -164.22 128.21 2.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.642 179.118 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.464 ' CD2' ' OE2' ' A' ' 22' ' ' GLU . 3.1 m0 -122.17 159.93 26.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.019 -179.665 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.539 ' H ' ' CD ' ' A' ' 22' ' ' GLU . 0.1 OUTLIER -94.57 164.21 13.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.296 179.839 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.447 ' CD1' ' N ' ' A' ' 21' ' ' ALA . 18.0 p90 -66.99 -38.8 86.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.566 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.447 ' N ' ' CD1' ' A' ' 20' ' ' TYR . . . -58.97 -56.27 24.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.112 -179.734 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.539 ' CD ' ' H ' ' A' ' 19' ' ' LYS . 12.3 pt-20 -64.74 -38.72 91.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.962 -179.654 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.3 mt -54.84 -56.21 21.87 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.264 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 69.9 ttt-85 -61.81 -49.73 75.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.782 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -56.59 -53.91 52.07 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.84 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 22' ' ' GLU . 6.3 m -58.16 -35.62 71.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.336 -179.509 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.602 HD12 ' SG ' ' A' ' 39' ' ' CYS . 0.5 OUTLIER -77.54 -22.64 14.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.774 -179.474 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.902 ' ND2' HG23 ' A' ' 29' ' ' THR . 0.0 OUTLIER -103.39 -4.12 24.55 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.9 -179.721 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.902 HG23 ' ND2' ' A' ' 28' ' ' ASN . 34.6 p -115.59 -48.24 2.78 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.836 0.351 . . . . 0.0 110.372 179.615 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.38 168.83 10.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.205 179.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 43.9 t -158.33 123.96 4.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.956 0.408 . . . . 0.0 110.853 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 33' ' ' ILE . 3.5 t0 -174.61 131.73 0.35 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.05 179.689 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.413 ' C ' ' O ' ' A' ' 32' ' ' ASP . 1.8 pt -37.69 -39.7 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.844 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -74.75 -52.21 12.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.063 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.95 -52.55 60.3 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.129 -179.705 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 27.3 mt -64.32 -51.75 61.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.818 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.03 -52.33 58.8 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.383 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.34 -45.86 91.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.325 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.602 ' SG ' HD12 ' A' ' 27' ' ' ILE . 49.5 t -53.9 -50.23 66.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.263 179.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 66.1 mtt85 -58.23 -46.34 86.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.319 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -54.65 -40.9 69.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.303 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -67.75 -47.68 68.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.418 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.55 -52.53 64.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.225 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.45 ' HD1' ' C ' ' A' ' 44' ' ' HIS . 3.5 t-80 -57.5 -40.86 79.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.606 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 54.2 ttt180 -61.28 -55.43 31.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.546 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 79.0 mtt85 -59.09 -40.29 84.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.538 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.1 tp -59.31 -56.54 20.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.652 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 52' ' ' ALA . 13.4 tptp -66.08 -45.9 79.62 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.496 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 41.1 t -57.33 -45.65 85.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.382 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -67.56 -44.1 79.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.485 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 12.2 t-80 -69.95 -29.39 66.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.466 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.481 ' C ' ' N ' ' A' ' 54' ' ' LYS . . . -80.38 -67.23 0.79 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.492 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -47.99 -13.06 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.407 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.481 ' N ' ' C ' ' A' ' 52' ' ' ALA . 59.6 tttp -46.58 -72.87 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.71 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.0 p -62.71 109.43 1.41 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.578 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 46.9 mtpt -87.66 -34.08 18.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.61 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -77.81 88.48 4.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.601 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 59' ' ' LYS . 74.2 mttt -81.55 -2.28 49.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.487 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 58' ' ' LYS . 16.8 pttp 31.21 59.67 0.26 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.206 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 91.8 mtt-85 . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.499 179.911 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.679 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.8 t -84.26 170.14 14.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.763 0.316 . . . . 0.0 110.602 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.404 ' HD2' ' H ' ' A' ' 11' ' ' LYS . 2.6 mptp? -97.09 103.96 15.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.405 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 30.6 mtpt -87.89 -49.88 6.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.681 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -126.7 155.24 42.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.49 -179.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -155.04 112.4 3.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.326 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.2 mt -125.95 62.49 1.24 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.431 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.8 t -40.28 -50.0 2.74 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.945 0.402 . . . . 0.0 110.408 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.21 128.21 2.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.74 179.358 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.522 ' CG ' ' OE2' ' A' ' 22' ' ' GLU . 2.8 m0 -121.33 167.34 12.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.09 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.559 ' H ' ' CD ' ' A' ' 22' ' ' GLU . 46.5 mmtt -99.97 165.33 11.59 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.809 0.337 . . . . 0.0 110.397 179.745 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -67.36 -43.4 81.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.659 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.83 -55.11 36.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.181 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.559 ' CD ' ' H ' ' A' ' 19' ' ' LYS . 14.7 pt-20 -66.41 -38.78 88.24 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.14 -179.403 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.0 mt -54.24 -56.32 19.52 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.212 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 58.6 ttt180 -63.12 -49.2 75.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.712 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -55.74 -53.94 50.42 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.707 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.5 m -58.85 -35.54 73.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.316 -179.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.571 HD12 ' SG ' ' A' ' 39' ' ' CYS . 0.6 OUTLIER -78.12 -20.65 13.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 C-N-CA 120.427 -0.509 . . . . 0.0 110.89 -179.423 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.917 ' ND2' HG23 ' A' ' 29' ' ' THR . 0.0 OUTLIER -105.65 -3.84 21.75 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.976 -179.869 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.917 HG23 ' ND2' ' A' ' 28' ' ' ASN . 34.5 p -115.55 -48.7 2.77 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.819 0.342 . . . . 0.0 110.357 179.661 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.42 168.74 11.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.171 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 44.3 t -158.37 123.84 4.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.863 0.363 . . . . 0.0 110.834 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 33' ' ' ILE . 1.7 t70 -174.58 132.85 0.36 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.099 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 32' ' ' ASP . 1.7 pt -38.59 -39.7 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.826 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -74.9 -51.95 12.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.046 -179.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.69 -52.13 61.01 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.182 -179.54 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.2 mt -65.49 -52.94 49.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.84 -179.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.02 -47.41 68.35 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.338 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.64 -42.87 95.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.253 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.571 ' SG ' HD12 ' A' ' 27' ' ' ILE . 16.7 t -57.27 -52.28 65.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.007 0.432 . . . . 0.0 110.148 179.636 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.23 -40.66 86.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.299 179.751 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -61.11 -42.7 99.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.419 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -64.51 -41.41 96.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.436 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -60.15 -52.93 63.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.376 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 34.0 m80 -57.38 -48.35 79.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.676 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 38.8 ttm-85 -60.11 -50.5 73.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.493 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 43.4 ttt-85 -55.54 -44.51 76.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.511 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 19.5 mt -70.32 -29.52 66.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.505 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 47.7 tttp -64.59 -53.04 53.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.594 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.424 HG23 ' N ' ' A' ' 50' ' ' TYR . 33.5 m -70.82 -38.25 71.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.585 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.533 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 58.5 t80 -65.36 -31.63 72.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.645 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.518 ' ND1' ' O ' ' A' ' 51' ' ' HIS . 6.3 t-80 -87.29 -32.36 19.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.587 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -84.02 -13.09 54.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.701 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.533 ' CD1' ' O ' ' A' ' 50' ' ' TYR . 0.8 OUTLIER -47.57 -19.69 0.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.612 -179.826 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.452 ' N ' ' CD1' ' A' ' 53' ' ' TRP . 36.7 tttm -45.32 -88.9 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.605 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 42.5 t -174.08 131.57 0.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.598 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.7 ttmt -69.39 164.73 22.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.43 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.428 ' O ' ' O ' ' A' ' 58' ' ' LYS . 20.4 m-80 -39.51 -74.46 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.82 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.428 ' O ' ' O ' ' A' ' 57' ' ' ASN . 3.7 mmmm 44.12 95.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.594 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -48.49 144.42 4.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.557 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 20.4 mmt85 . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 117.97 -1.014 . . . . 0.0 110.541 179.945 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.693 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.6 p -76.05 174.17 10.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.739 0.304 . . . . 0.0 110.54 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.6 mmtp -58.03 -157.75 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.417 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.5 mmmm -77.47 -70.88 0.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.505 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -124.33 151.21 44.59 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.173 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -144.47 109.74 5.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.51 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.0 mt -124.12 59.75 1.15 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.265 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.2 t -39.45 -50.64 2.13 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.932 0.396 . . . . 0.0 110.474 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.37 128.11 2.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.715 179.334 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.517 ' CG ' ' OE2' ' A' ' 22' ' ' GLU . 3.0 m0 -121.39 167.21 13.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.938 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.539 ' H ' ' CD ' ' A' ' 22' ' ' GLU . 25.0 mmtp -100.31 162.68 12.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.356 179.694 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -65.48 -40.03 92.63 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.566 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.41 -58.27 9.23 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.094 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.539 ' CD ' ' H ' ' A' ' 19' ' ' LYS . 15.4 pt-20 -63.17 -37.52 87.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.937 -179.43 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.9 mt -55.36 -56.03 24.78 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.32 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 47.2 ttp180 -61.91 -50.16 73.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.859 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -56.04 -54.15 48.37 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.768 -179.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.5 m -58.02 -35.77 71.74 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.48 -179.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.603 HD12 ' SG ' ' A' ' 39' ' ' CYS . 0.7 OUTLIER -78.25 -21.37 13.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 C-N-CA 120.416 -0.514 . . . . 0.0 110.761 -179.358 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.916 ' ND2' HG23 ' A' ' 29' ' ' THR . 0.0 OUTLIER -105.0 -3.13 23.63 Favored 'General case' 0 N--CA 1.462 0.172 0 C-N-CA 121.013 -0.275 . . . . 0.0 110.987 -179.841 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.916 HG23 ' ND2' ' A' ' 28' ' ' ASN . 34.9 p -116.58 -48.3 2.69 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.805 0.336 . . . . 0.0 110.348 179.669 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.41 168.76 11.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.14 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.0 t -158.45 123.99 4.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.764 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 33' ' ' ILE . 2.0 t70 -174.6 132.54 0.36 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.01 179.647 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.405 ' C ' ' O ' ' A' ' 32' ' ' ASP . 1.7 pt -38.45 -39.55 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.762 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -74.97 -51.67 13.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.057 -179.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.81 -52.4 60.44 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.223 -179.708 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.9 mt -65.41 -52.47 53.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.862 -179.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.9 -49.07 66.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.874 0.368 . . . . 0.0 110.227 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.16 -44.91 94.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.516 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.603 ' SG ' HD12 ' A' ' 27' ' ' ILE . 14.0 t -55.03 -52.34 63.47 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.272 179.753 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 31.5 mtp85 -57.19 -46.19 83.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.307 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -56.98 -40.41 76.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.417 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -64.26 -46.05 85.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.44 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -61.22 -53.12 60.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.358 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 16.8 t60 -53.7 -45.37 70.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.354 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 55.3 ttp180 -60.37 -45.03 94.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.544 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.7 mmm180 -56.6 -50.8 70.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.602 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -66.56 -27.79 68.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.521 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.9 ttmt -71.61 -53.45 13.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.691 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.438 HG23 ' N ' ' A' ' 50' ' ' TYR . 14.2 m -71.22 -37.43 66.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.501 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.438 ' N ' HG23 ' A' ' 49' ' ' VAL . 54.5 t80 -65.85 -51.96 54.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.556 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.447 ' ND1' ' O ' ' A' ' 51' ' ' HIS . 14.5 t-80 -67.51 -32.27 72.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.582 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.46 -29.04 59.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.627 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.412 ' O ' ' O ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -51.67 -34.77 39.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.394 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.412 ' O ' ' O ' ' A' ' 53' ' ' TRP . 29.1 mmtm -49.17 -99.37 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.591 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.526 ' O ' ' N ' ' A' ' 57' ' ' ASN . 10.7 t -161.55 -24.09 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.542 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 27.6 mtpt 60.29 -74.92 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.566 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.526 ' N ' ' O ' ' A' ' 55' ' ' SER . 65.7 m-20 -69.11 -156.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.485 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 52.4 mttp -65.4 -136.74 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.619 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.3 ttmm 46.94 61.43 2.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.59 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 10.6 ttt85 . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.155 179.976 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.653 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.6 p -75.12 165.72 24.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.819 0.343 . . . . 0.0 110.444 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.2 mtpp -78.01 -155.94 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.438 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.7 mmmm -50.17 -60.03 3.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.573 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -132.17 157.64 43.75 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.404 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -151.0 109.58 3.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.444 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.7 mt -125.34 61.95 1.2 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.265 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 t -39.53 -50.3 2.18 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.38 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -164.42 128.11 2.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.786 179.376 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 3.2 m0 -121.42 165.58 15.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.893 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.8 mmtp -100.74 152.77 20.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.761 0.315 . . . . 0.0 110.338 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -55.7 -38.7 70.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.646 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.91 -63.1 1.42 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.222 -179.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -59.84 -33.38 71.71 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.924 -179.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.6 mt -58.24 -55.99 27.84 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.181 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -61.19 -50.25 73.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.788 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -56.17 -54.13 48.83 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.028 -179.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.5 m -58.27 -35.41 71.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.422 -179.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.584 HD12 ' SG ' ' A' ' 39' ' ' CYS . 0.6 OUTLIER -78.03 -22.1 13.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 C-N-CA 120.471 -0.492 . . . . 0.0 110.765 -179.409 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.915 ' ND2' HG23 ' A' ' 29' ' ' THR . 0.0 OUTLIER -104.22 -3.68 24.01 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.958 -179.668 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.915 HG23 ' ND2' ' A' ' 28' ' ' ASN . 34.4 p -115.84 -48.56 2.75 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.938 0.399 . . . . 0.0 110.367 179.737 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.31 168.54 11.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.148 179.692 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 11.6 t -158.23 123.85 4.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.898 0.38 . . . . 0.0 110.831 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 33' ' ' ILE . 1.7 t70 -174.61 131.52 0.35 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.018 179.635 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.411 ' C ' ' O ' ' A' ' 32' ' ' ASP . 1.8 pt -38.36 -38.72 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.77 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -75.26 -51.86 12.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.986 -179.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.79 -52.59 59.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.945 0.402 . . . . 0.0 110.151 -179.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.7 mt -64.88 -52.12 58.26 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.965 -179.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.81 -49.16 66.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.968 0.414 . . . . 0.0 110.18 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.26 -44.47 95.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.268 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.584 ' SG ' HD12 ' A' ' 27' ' ' ILE . 14.4 t -56.59 -51.47 68.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.18 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 50.4 ttt180 -55.6 -50.02 71.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.315 179.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -54.66 -46.72 74.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.251 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -56.93 -42.6 80.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.247 179.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -58.88 -53.02 63.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.131 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -53.57 -42.23 67.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.35 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 29.6 ttt85 -64.85 -47.72 76.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.683 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.9 tpt180 -62.06 -45.79 91.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.737 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -67.79 -28.98 68.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.317 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.3 ttmt -68.62 -53.16 24.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.652 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.433 HG23 ' N ' ' A' ' 50' ' ' TYR . 28.1 m -70.25 -38.04 73.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.532 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.433 ' N ' HG23 ' A' ' 49' ' ' VAL . 88.5 t80 -63.41 -42.16 98.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.417 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 36.5 t60 -71.86 -39.0 69.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.531 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -79.03 -15.99 57.47 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.587 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -47.52 -56.64 6.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.5 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.47 ' O ' ' O ' ' A' ' 55' ' ' SER . 6.2 pttm -77.76 -93.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.493 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.496 ' C ' ' H ' ' A' ' 57' ' ' ASN . 2.6 t 57.9 127.82 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.679 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.43 ' H ' ' HD2' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -74.77 24.64 0.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.495 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.56 HD22 ' N ' ' A' ' 59' ' ' LYS . 0.3 OUTLIER -165.84 128.48 2.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.573 179.886 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.0 mptt -88.69 54.14 2.93 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.593 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.56 ' N ' HD22 ' A' ' 57' ' ' ASN . 35.0 ttpt -78.61 90.56 4.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.608 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 62.5 mtm180 . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 117.957 -1.021 . . . . 0.0 110.542 -179.995 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.68 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.2 t -63.47 176.42 0.84 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.731 0.3 . . . . 0.0 110.524 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -149.49 7.17 0.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.474 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 29.9 mtmm -59.92 -47.69 84.74 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.532 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -130.55 150.6 51.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.477 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -149.55 109.76 4.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.286 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.9 mt -122.65 59.99 1.03 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.442 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.8 t -40.3 -50.09 2.77 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.959 0.409 . . . . 0.0 110.254 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -164.56 128.21 2.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.541 179.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 3.3 m0 -121.29 165.7 15.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.922 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.2 mmtp -101.11 153.17 19.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.395 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 58.6 t80 -55.89 -38.55 70.34 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.663 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.01 -63.18 1.4 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.153 -179.571 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.432 ' O ' ' OG1' ' A' ' 26' ' ' THR . 16.2 pt-20 -59.83 -33.65 72.05 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.866 -0.334 . . . . 0.0 110.947 -179.395 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.5 mt -58.11 -56.03 27.29 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.295 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 55.2 ttp180 -61.43 -50.12 74.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.774 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -56.13 -54.08 49.41 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.972 -179.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' A' ' 22' ' ' GLU . 8.7 m -58.39 -35.43 72.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.347 -179.534 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.548 HD12 ' SG ' ' A' ' 39' ' ' CYS . 0.6 OUTLIER -77.68 -22.2 13.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 C-N-CA 120.591 -0.443 . . . . 0.0 110.8 -179.472 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.907 ' ND2' HG23 ' A' ' 29' ' ' THR . 0.0 OUTLIER -104.31 -3.63 23.96 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.007 -179.705 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.907 HG23 ' ND2' ' A' ' 28' ' ' ASN . 35.4 p -116.08 -48.14 2.74 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.862 0.363 . . . . 0.0 110.472 179.69 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.44 167.94 11.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.23 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 49.2 t -158.25 123.84 4.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.96 0.409 . . . . 0.0 110.76 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -174.59 132.77 0.36 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.044 179.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.7 pt -38.79 -39.78 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.702 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -75.19 -51.75 12.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.101 -179.611 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.77 -52.32 60.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.871 0.367 . . . . 0.0 110.191 -179.745 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 30.3 mt -65.43 -52.01 56.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.834 -179.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.86 -49.32 66.04 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.236 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.44 -46.23 89.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.3 179.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.548 ' SG ' HD12 ' A' ' 27' ' ' ILE . 11.1 t -55.62 -51.8 65.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.157 179.719 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.551 ' CZ ' ' NE2' ' A' ' 44' ' ' HIS . 73.7 ttt-85 -55.12 -48.26 73.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.45 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 40.5 mm-40 -54.6 -47.32 73.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.579 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -58.81 -45.04 90.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.566 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -58.89 -53.31 59.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.358 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.551 ' NE2' ' CZ ' ' A' ' 40' ' ' ARG . 1.2 m80 -52.3 -46.72 66.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.425 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.408 ' O ' HG22 ' A' ' 49' ' ' VAL . 38.2 ttt85 -66.22 -36.96 84.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.596 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 20.1 ttt85 -66.63 -47.96 70.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.709 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.4 mp -67.78 -32.07 72.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.376 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.1 tttm -66.93 -53.33 32.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.935 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.54 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 14.9 m -71.44 -37.1 63.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.631 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.429 ' N ' HG23 ' A' ' 49' ' ' VAL . 92.4 t80 -63.63 -39.8 95.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.616 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 33.5 t60 -80.49 -30.63 37.36 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.579 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.01 -40.89 82.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.707 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.54 ' CD1' ' O ' ' A' ' 49' ' ' VAL . 30.4 m0 -47.57 -35.17 8.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.454 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.501 ' CD ' ' N ' ' A' ' 54' ' ' LYS . 3.4 mptp? -72.77 -38.8 67.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.523 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.419 ' O ' ' O ' ' A' ' 54' ' ' LYS . 4.9 m 59.2 120.85 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.57 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 28.2 mtpt -76.79 -67.86 0.66 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.503 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.615 HD22 ' N ' ' A' ' 57' ' ' ASN . 0.1 OUTLIER -165.33 -179.94 5.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.562 -179.932 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -154.43 -122.3 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.541 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -80.34 178.33 8.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.586 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 19.4 ttm-85 . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.619 -179.945 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.59 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.401 ' OG1' ' N ' ' A' ' 11' ' ' LYS . 4.1 t -74.43 178.45 5.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.72 0.295 . . . . 0.0 110.595 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.401 ' N ' ' OG1' ' A' ' 10' ' ' THR . 40.1 mttm -131.65 82.66 2.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.534 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.9 mtmm -86.1 -45.64 11.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.597 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -129.29 144.53 51.26 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.7 -179.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.464 ' OD1' ' N ' ' A' ' 14' ' ' ASP . 14.1 p-10 -130.97 112.93 13.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.419 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 16' ' ' SER . 20.3 mt -128.1 62.86 1.42 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.273 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 15' ' ' LEU . 1.9 t -38.97 -51.27 1.8 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.365 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -164.37 128.03 2.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.875 179.344 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.534 ' CG ' ' OE2' ' A' ' 22' ' ' GLU . 2.8 m0 -122.02 161.21 23.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.849 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.409 ' H ' ' CD ' ' A' ' 22' ' ' GLU . 7.0 mptt -93.83 161.94 14.12 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.863 0.363 . . . . 0.0 110.194 179.657 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.601 ' CD1' ' N ' ' A' ' 21' ' ' ALA . 38.9 p90 -64.63 -40.83 96.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.724 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.601 ' N ' ' CD1' ' A' ' 20' ' ' TYR . . . -56.34 -58.91 5.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.201 -179.518 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.534 ' OE2' ' CG ' ' A' ' 18' ' ' TRP . 20.7 pt-20 -63.57 -38.26 90.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.076 -179.344 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.5 mt -53.69 -56.22 19.26 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.226 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.7 ttt-85 -62.86 -49.13 76.1 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.791 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -56.19 -53.92 51.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.3 m -58.38 -35.7 72.38 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.344 -179.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.584 HD12 ' SG ' ' A' ' 39' ' ' CYS . 0.7 OUTLIER -77.99 -21.14 13.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.744 -179.473 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.911 ' ND2' HG23 ' A' ' 29' ' ' THR . 0.0 OUTLIER -105.58 -3.23 22.59 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.081 -179.731 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.911 HG23 ' ND2' ' A' ' 28' ' ' ASN . 34.0 p -116.23 -48.58 2.71 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.932 0.396 . . . . 0.0 110.32 179.716 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.44 166.21 12.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.102 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 42.2 t -156.85 123.67 5.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.979 0.418 . . . . 0.0 110.693 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 33' ' ' ILE . 4.4 t0 -174.66 131.1 0.34 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.956 179.709 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.414 ' C ' ' O ' ' A' ' 32' ' ' ASP . 1.8 pt -38.07 -38.48 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.753 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -75.62 -51.78 12.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.051 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.04 -52.45 60.8 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.042 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 25.1 mt -64.84 -49.66 69.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.95 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.403 ' HB2' ' O ' ' A' ' 33' ' ' ILE . . . -52.97 -49.49 66.03 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.109 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.3 -44.26 92.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.204 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.584 ' SG ' HD12 ' A' ' 27' ' ' ILE . 10.2 t -55.94 -50.11 71.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.225 179.74 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -59.0 -46.03 89.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.279 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -54.75 -41.73 70.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.239 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -64.63 -49.07 72.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.411 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -55.04 -52.93 61.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.217 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 9.5 t-80 -55.13 -48.94 72.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.413 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 31.7 ttp180 -60.71 -54.13 49.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.556 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 -50.28 -40.71 49.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.415 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 19.5 mt -69.17 -37.7 78.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.491 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.1 ttpp -60.44 -53.11 61.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.697 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.402 HG23 ' N ' ' A' ' 50' ' ' TYR . 26.8 m -66.99 -37.63 79.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.657 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.402 ' N ' HG23 ' A' ' 49' ' ' VAL . 93.5 t80 -59.75 -59.37 5.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.647 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 75.6 m-70 -61.64 -38.33 87.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.552 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.7 -46.63 89.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.618 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -47.53 -24.87 0.95 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.49 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 46.0 mmtt -120.9 88.82 3.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.338 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 26.9 t -81.69 -119.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.601 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.5 mtpp -144.47 60.65 1.34 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.447 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -62.81 -80.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.563 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 48.2 mttp -69.52 -137.93 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.48 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? 56.41 89.78 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.371 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 73.5 mtt85 . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.069 -0.967 . . . . 0.0 110.635 179.947 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.671 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 15.3 t -50.54 172.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.741 0.305 . . . . 0.0 110.435 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.5 mtpm? -140.02 92.92 2.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.511 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -45.85 -53.87 9.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.703 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -130.69 142.69 50.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.508 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -129.27 111.94 13.38 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.584 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 16' ' ' SER . 29.5 mt -125.05 60.29 1.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.132 179.65 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 15' ' ' LEU . 1.9 t -36.75 -51.83 0.89 Allowed 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.506 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -164.28 127.88 2.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.987 -0.552 . . . . 0.0 109.86 179.288 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.533 ' CG ' ' OE2' ' A' ' 22' ' ' GLU . 3.4 m0 -122.54 161.97 22.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 0.0 109.884 -179.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.581 ' H ' ' CD ' ' A' ' 22' ' ' GLU . 54.4 mmtt -97.75 164.03 12.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.911 0.386 . . . . 0.0 110.442 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 20.4 p90 -66.33 -38.04 86.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.611 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.45 -56.87 16.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.023 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.581 ' CD ' ' H ' ' A' ' 19' ' ' LYS . 11.6 pt-20 -63.94 -37.47 87.54 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.804 -179.505 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.7 mt -56.07 -55.75 29.21 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.079 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.6 tpp85 -60.61 -51.35 69.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.77 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.479 ' O ' ' OG1' ' A' ' 29' ' ' THR . 13.8 t70 -56.08 -54.18 48.11 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.008 -179.517 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.9 m -58.25 -35.24 71.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.569 -179.266 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.61 HD12 ' SG ' ' A' ' 39' ' ' CYS . 0.9 OUTLIER -78.99 -21.24 12.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 C-N-CA 120.438 -0.505 . . . . 0.0 110.72 -179.412 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.925 ' ND2' HG23 ' A' ' 29' ' ' THR . 0.0 OUTLIER -105.53 -2.29 23.77 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.963 -179.778 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.925 HG23 ' ND2' ' A' ' 28' ' ' ASN . 35.6 p -117.91 -48.34 2.56 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.816 0.341 . . . . 0.0 110.353 179.654 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.5 167.42 12.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.131 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 38.3 t -158.36 123.71 4.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.768 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 33' ' ' ILE . 2.4 t0 -174.58 131.62 0.35 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.844 -0.617 . . . . 0.0 109.954 179.71 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.409 ' C ' ' O ' ' A' ' 32' ' ' ASP . 1.8 pt -38.83 -38.47 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.643 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -75.5 -51.75 12.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.935 -179.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.06 -52.67 60.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.887 0.375 . . . . 0.0 110.199 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.3 mt -64.62 -50.23 67.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.654 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.03 -45.55 68.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.979 0.418 . . . . 0.0 110.004 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.416 ' HB1' HD11 ' A' ' 15' ' ' LEU . . . -68.27 -40.6 81.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.239 179.714 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.61 ' SG ' HD12 ' A' ' 27' ' ' ILE . 8.9 t -60.37 -50.58 73.04 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.157 179.676 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 58.8 mtt-85 -58.93 -49.85 76.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.091 179.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -59.69 -35.72 75.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.189 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -69.23 -35.96 76.7 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.258 179.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.27 -53.33 20.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.078 179.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 -59.3 -38.76 81.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.322 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 46.3 ttt85 -62.83 -51.66 66.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.473 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 32.6 ttm-85 -59.89 -42.79 94.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.657 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 14.9 mt -70.13 -30.5 67.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.534 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 43.7 tttm -67.06 -53.2 33.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.562 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.439 HG23 ' N ' ' A' ' 50' ' ' TYR . 29.1 m -69.05 -38.55 78.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.536 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.439 ' N ' HG23 ' A' ' 49' ' ' VAL . 79.2 t80 -62.9 -39.76 95.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.571 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 10.4 t-80 -78.43 -30.66 47.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.555 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.46 -55.45 5.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.582 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -47.49 -32.02 4.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.583 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 74.6 tttt -80.24 -95.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.714 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.7 p 41.38 72.07 0.18 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.749 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 35.5 mtpt -93.59 126.93 39.01 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.552 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.405 ' N ' HD22 ' A' ' 57' ' ' ASN . 2.3 m120 -81.39 -102.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.571 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 50.2 pttt -166.75 35.47 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.609 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 48.0 pttt -152.73 133.56 13.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.599 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 42.3 mtp180 . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 118.068 -0.968 . . . . 0.0 110.56 -179.973 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.722 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.5 p -70.77 156.85 39.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.735 0.302 . . . . 0.0 110.561 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.0 mttm -120.0 -151.33 0.48 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.602 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.3 mmpt? -90.33 -62.16 1.52 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.608 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -123.72 148.38 46.63 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.47 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -139.41 111.67 7.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.385 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 16' ' ' SER . 14.0 mt -125.79 61.6 1.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.18 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 15' ' ' LEU . 1.7 t -36.56 -51.18 0.83 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.663 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 39.9 tptt -164.2 128.23 2.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.939 179.378 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.536 ' CG ' ' OE2' ' A' ' 22' ' ' GLU . 2.9 m0 -122.45 159.27 27.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.955 -179.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.47 ' H ' ' CD ' ' A' ' 22' ' ' GLU . 7.1 mptt -92.99 163.29 13.72 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.401 179.649 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -65.21 -41.29 94.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.624 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.09 -58.06 9.51 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.206 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.536 ' OE2' ' CG ' ' A' ' 18' ' ' TRP . 15.5 pt-20 -63.99 -39.29 93.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.135 -179.365 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.5 mt -53.26 -56.01 19.96 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.56 -0.456 . . . . 0.0 110.271 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 -62.75 -50.69 70.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.819 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -55.41 -53.96 49.7 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.944 -179.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.3 m -58.53 -35.79 72.83 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.375 -179.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.592 HD12 ' SG ' ' A' ' 39' ' ' CYS . 0.8 OUTLIER -78.41 -20.6 13.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 120.444 -0.503 . . . . 0.0 110.794 -179.442 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.916 ' ND2' HG23 ' A' ' 29' ' ' THR . 0.0 OUTLIER -105.9 -2.87 22.48 Favored 'General case' 0 N--CA 1.463 0.191 0 C-N-CA 120.956 -0.297 . . . . 0.0 111.03 -179.824 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.916 HG23 ' ND2' ' A' ' 28' ' ' ASN . 34.8 p -116.95 -48.42 2.65 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.805 0.336 . . . . 0.0 110.388 179.553 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.62 168.79 11.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.172 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 42.8 t -158.43 123.74 4.38 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.93 0.395 . . . . 0.0 110.796 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 33' ' ' ILE . 2.3 t70 -174.65 131.32 0.34 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.915 179.716 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.414 ' C ' ' O ' ' A' ' 32' ' ' ASP . 1.8 pt -38.01 -38.61 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.737 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -75.28 -52.2 11.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.87 -179.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.05 -52.45 60.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.94 0.4 . . . . 0.0 110.235 -179.783 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 25.6 mt -64.58 -52.04 59.64 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.968 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.0 -50.98 63.11 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.261 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.59 -46.33 90.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.291 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.592 ' SG ' HD12 ' A' ' 27' ' ' ILE . 12.1 t -53.36 -49.69 66.64 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.194 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.564 ' CZ ' ' NE2' ' A' ' 44' ' ' HIS . 69.8 ttt-85 -58.93 -46.46 87.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.42 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -54.8 -40.17 69.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.36 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -65.81 -50.77 63.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.48 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -53.8 -50.99 64.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.22 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.564 ' NE2' ' CZ ' ' A' ' 40' ' ' ARG . 6.1 m80 -58.69 -45.56 89.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.566 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 51.0 ttt85 -57.48 -52.77 64.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.553 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.63 -43.14 99.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.448 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.5 tp -70.91 -29.93 66.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.524 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 44' ' ' HIS . 81.3 tttt -68.57 -53.35 23.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.647 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.42 HG23 ' N ' ' A' ' 50' ' ' TYR . 19.7 m -68.1 -36.7 76.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.495 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.42 ' N ' HG23 ' A' ' 49' ' ' VAL . 86.1 t80 -62.63 -48.3 79.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.492 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 50.6 t-80 -70.01 -32.49 70.69 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.511 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.517 ' C ' ' H ' ' A' ' 54' ' ' LYS . . . -68.75 -38.12 79.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.529 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -69.61 15.29 0.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.609 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.517 ' H ' ' C ' ' A' ' 52' ' ' ALA . 48.1 pttt -40.01 -44.25 1.7 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.791 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.436 ' N ' ' CG ' ' A' ' 54' ' ' LYS . 1.6 t 170.54 106.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.621 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -144.15 -56.0 0.36 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.434 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.4 m120 45.16 39.9 4.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.66 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 35.6 mttp 50.45 97.94 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.555 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.0 ttmt -74.23 104.05 4.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.591 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 73.7 mtt-85 . . . . . 0 C--O 1.219 -0.543 0 CA-C-O 118.022 -0.989 . . . . 0.0 110.551 179.992 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.687 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.7 t -68.33 177.32 2.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.779 0.323 . . . . 0.0 110.592 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.1 mttp -61.15 -143.68 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.612 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 19.4 mtpp -67.9 -61.59 1.8 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.63 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -127.46 155.59 43.46 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.486 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -153.67 109.6 3.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.236 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.0 mt -123.11 58.61 1.1 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.394 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.3 t -39.26 -49.71 1.93 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.374 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.45 ' HZ3' ' NH1' ' A' ' 46' ' ' ARG . 40.3 tptt -164.14 128.16 2.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.717 179.379 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.528 ' CG ' ' OE2' ' A' ' 22' ' ' GLU . 2.9 m0 -122.12 165.33 16.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.782 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.481 ' H ' ' CD ' ' A' ' 22' ' ' GLU . 21.9 mmtp -96.87 158.7 15.3 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 179.517 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -63.09 -38.14 89.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.873 0.368 . . . . 0.0 110.381 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.72 -60.52 3.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.101 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.528 ' OE2' ' CG ' ' A' ' 18' ' ' TRP . 18.3 pt-20 -61.09 -35.84 78.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.724 -179.431 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.3 mt -56.48 -55.94 27.47 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.08 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 52.6 ttt85 -61.81 -50.5 72.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.701 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.404 ' O ' ' N ' ' A' ' 29' ' ' THR . 24.8 t70 -55.86 -54.22 47.26 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.993 -179.618 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.422 ' OG1' ' O ' ' A' ' 22' ' ' GLU . 7.5 m -57.76 -36.05 71.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.332 -179.573 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.584 HD12 ' SG ' ' A' ' 39' ' ' CYS . 0.4 OUTLIER -77.37 -21.75 14.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 C-N-CA 120.556 -0.457 . . . . 0.0 110.814 -179.485 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.901 ' ND2' HG23 ' A' ' 29' ' ' THR . 0.0 OUTLIER -105.81 -2.0 23.64 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.03 -179.655 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.901 HG23 ' ND2' ' A' ' 28' ' ' ASN . 34.2 p -117.29 -48.48 2.62 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.789 0.328 . . . . 0.0 110.332 179.657 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.55 168.9 10.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.207 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 44.1 t -158.38 124.01 4.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.876 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -174.47 133.5 0.38 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.113 179.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.6 pt -39.03 -39.84 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.786 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -74.57 -51.68 13.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.964 -179.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.06 -52.35 61.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.771 0.32 . . . . 0.0 110.271 -179.687 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 27.1 mt -66.07 -49.82 66.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.039 -179.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.81 -51.23 61.62 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.305 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.61 -50.79 68.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.391 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.584 ' SG ' HD12 ' A' ' 27' ' ' ILE . 24.3 t -51.14 -49.63 60.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.371 179.75 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.41 ' HB2' HH11 ' A' ' 40' ' ' ARG . 18.0 mtp-105 -58.82 -47.14 85.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.418 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -54.78 -37.8 66.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.422 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 -67.56 -48.62 66.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.425 179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -58.09 -52.91 63.57 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.353 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 -61.29 -43.92 98.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.429 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 52.9 ttt85 -57.56 -46.84 83.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.441 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.45 ' NH1' ' HZ3' ' A' ' 17' ' ' LYS . 15.4 tpp180 -61.63 -47.01 87.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.63 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.5 mt -69.44 -27.6 65.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.333 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -68.72 -53.23 23.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.631 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 23.6 m -68.76 -34.44 64.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.569 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -65.9 -43.81 87.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.639 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 27.5 m80 -77.72 -29.5 51.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.595 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.05 -61.91 1.65 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.64 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 24.9 m95 -57.87 -17.73 18.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.606 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.43 -25.39 50.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.476 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 38.3 t -62.89 -48.88 77.07 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.57 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 21.5 mtpp -71.16 69.63 0.52 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.599 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 48.87 -104.7 0.13 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.617 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.477 ' HZ2' ' HD2' ' A' ' 60' ' ' ARG . 17.7 tttm -168.69 94.71 0.35 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.456 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 76.8 mttt -68.72 66.54 0.13 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.873 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.477 ' HD2' ' HZ2' ' A' ' 58' ' ' LYS . 44.7 mtt85 . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 117.946 -1.026 . . . . 0.0 110.349 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.674 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.7 p -77.82 172.59 13.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.727 0.299 . . . . 0.0 110.526 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.9 mttp -147.16 111.67 5.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.622 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 30.0 mtpt -79.85 -43.63 21.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.557 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -134.08 151.52 51.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.504 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -155.65 110.29 2.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.199 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.8 mt -122.91 60.88 1.02 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.404 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.6 t -40.63 -49.52 3.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.883 0.373 . . . . 0.0 110.301 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -164.49 127.95 2.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.925 -0.579 . . . . 0.0 109.726 179.309 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.541 ' CG ' ' OE2' ' A' ' 22' ' ' GLU . 3.3 m0 -121.97 161.22 23.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.899 -179.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.8 mptt -94.8 159.28 15.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.224 179.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.7 p90 -62.3 -38.47 89.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.488 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.99 -62.21 1.98 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.226 -179.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.541 ' OE2' ' CG ' ' A' ' 18' ' ' TRP . 20.1 pt-20 -60.59 -36.7 79.18 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.853 -179.338 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.3 mt -54.71 -56.04 23.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.886 0.374 . . . . 0.0 110.187 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 -61.5 -50.61 72.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.766 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -55.86 -54.05 49.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.913 -179.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.6 m -58.2 -35.57 71.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.379 -179.385 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.564 HD12 ' SG ' ' A' ' 39' ' ' CYS . 0.7 OUTLIER -77.85 -21.83 13.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.862 -179.511 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.917 ' ND2' HG23 ' A' ' 29' ' ' THR . 0.0 OUTLIER -104.69 -3.23 23.94 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.935 -179.735 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.917 HG23 ' ND2' ' A' ' 28' ' ' ASN . 34.1 p -116.14 -48.21 2.74 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.783 0.325 . . . . 0.0 110.477 179.673 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.98 168.22 11.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.201 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 43.7 t -158.32 123.74 4.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.843 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 33' ' ' ILE . 4.1 t0 -174.5 133.41 0.38 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.11 179.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.4 ' C ' ' O ' ' A' ' 32' ' ' ASP . 1.7 pt -38.79 -40.0 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.689 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -74.63 -52.29 12.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.091 -179.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.78 -52.52 59.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.862 0.363 . . . . 0.0 110.23 -179.575 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 29.6 mt -65.13 -52.3 56.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.962 -179.612 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.05 -49.07 67.09 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.31 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.33 -46.47 86.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.456 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.564 ' SG ' HD12 ' A' ' 27' ' ' ILE . 14.1 t -53.55 -50.6 65.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.177 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 48.9 ttt85 -58.4 -47.63 83.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.293 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -55.02 -39.77 69.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.442 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -65.4 -47.52 76.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.561 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.74 -53.3 59.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.177 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 29.2 t60 -56.66 -43.61 80.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.408 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 57.5 ttp85 -63.95 -51.37 64.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.518 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 21.4 ttp180 -49.48 -51.93 32.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.497 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.0 mp -64.04 -35.58 81.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.277 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 30.1 tptt -55.84 -52.44 64.03 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.644 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.543 ' O ' ' N ' ' A' ' 53' ' ' TRP . 27.7 m -71.63 -31.95 43.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.645 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 42.8 t80 -58.02 -43.48 86.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.541 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -89.64 -24.55 21.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.745 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -97.81 5.4 49.15 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.698 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.543 ' N ' ' O ' ' A' ' 49' ' ' VAL . 0.4 OUTLIER -66.51 -8.31 25.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.321 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -71.45 -68.24 0.46 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.463 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 50.5 p -81.57 84.08 6.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.736 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.412 ' NZ ' ' CE3' ' A' ' 53' ' ' TRP . 2.1 tppt? -86.0 137.19 32.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.414 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.454 ' C ' ' H ' ' A' ' 59' ' ' LYS . 94.2 m-20 -81.31 6.09 15.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.71 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.1 mmmm -75.44 36.18 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.536 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.454 ' H ' ' C ' ' A' ' 57' ' ' ASN . 82.8 mttt -149.59 -166.66 2.61 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.476 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.474 ' N ' ' CD ' ' A' ' 60' ' ' ARG . 0.9 OUTLIER . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.489 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.631 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.6 p -71.51 171.08 11.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.74 0.305 . . . . 0.0 110.483 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 52.6 mttm -60.81 103.91 0.31 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.571 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.418 ' HG3' ' H ' ' A' ' 13' ' ' TYR . 12.4 ptmt -41.13 -50.88 3.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.664 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.418 ' H ' ' HG3' ' A' ' 12' ' ' LYS . 5.5 m-85 -137.66 149.7 46.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.127 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -140.15 109.66 6.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.475 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 16' ' ' SER . 17.9 mt -126.63 56.97 1.45 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.308 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 15' ' ' LEU . 4.2 t -38.49 -50.77 1.57 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.993 0.425 . . . . 0.0 110.452 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.9 tmtp? -164.4 128.33 2.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.57 179.179 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 2.9 m0 -120.69 164.09 17.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.093 -179.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.459 ' HB3' ' HZ3' ' A' ' 19' ' ' LYS . 5.5 mmmm -97.61 149.27 22.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.322 179.659 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -53.22 -39.08 63.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.585 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.22 -63.0 1.42 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.143 -179.585 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -61.04 -33.54 73.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.077 -179.312 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.3 mt -58.03 -56.25 24.38 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.383 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.7 ttm180 -63.95 -47.47 80.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.639 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -56.51 -53.94 51.68 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.683 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.0 m -58.56 -35.56 72.56 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.273 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.608 HD12 ' SG ' ' A' ' 39' ' ' CYS . 0.5 OUTLIER -77.2 -21.98 14.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 C-N-CA 120.496 -0.482 . . . . 0.0 110.751 -179.521 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.901 ' ND2' HG23 ' A' ' 29' ' ' THR . 0.0 OUTLIER -105.09 -3.52 23.0 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.997 -179.622 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.901 HG23 ' ND2' ' A' ' 28' ' ' ASN . 35.3 p -116.48 -48.31 2.7 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.746 0.307 . . . . 0.0 110.351 179.736 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.58 168.81 11.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.195 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 9.6 t -158.45 123.86 4.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.998 0.427 . . . . 0.0 110.771 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 33' ' ' ILE . 1.7 t70 -174.65 131.85 0.35 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.987 179.671 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.401 ' C ' ' O ' ' A' ' 32' ' ' ASP . 1.8 pt -38.77 -39.16 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.653 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -75.24 -51.21 13.85 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.072 -179.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.97 -52.42 60.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.862 0.363 . . . . 0.0 110.122 -179.698 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.8 mt -65.67 -50.63 64.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.965 -179.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.93 -48.73 67.09 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.287 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.75 -43.72 88.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.416 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.608 ' SG ' HD12 ' A' ' 27' ' ' ILE . 22.4 t -58.56 -51.01 71.72 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.396 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -57.74 -49.0 78.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.529 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -54.94 -40.98 70.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.575 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -68.37 -36.64 79.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.556 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.34 -53.11 48.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.477 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 35.7 m-70 -60.9 -46.89 88.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.496 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 56.4 ttt180 -55.47 -48.2 74.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.586 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 54.5 ttp180 -64.19 -39.3 93.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.525 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 22.7 mt -71.61 -33.91 69.39 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.656 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.0 tmtt? -66.8 -53.64 30.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.532 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.52 ' O ' ' N ' ' A' ' 53' ' ' TRP . 19.4 m -67.32 -39.54 83.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.686 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.478 ' N ' HG23 ' A' ' 49' ' ' VAL . 49.4 t80 -65.36 -42.29 92.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.708 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 48.2 t60 -75.93 -30.28 58.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.666 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.466 ' C ' ' N ' ' A' ' 54' ' ' LYS . . . -97.29 -2.09 43.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.707 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.52 ' N ' ' O ' ' A' ' 49' ' ' VAL . 0.5 OUTLIER -47.59 -14.41 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.574 -179.899 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.466 ' N ' ' C ' ' A' ' 52' ' ' ALA . 34.6 mmtt 39.76 95.71 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.851 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.41 ' C ' ' N ' ' A' ' 57' ' ' ASN . 58.5 m -152.26 112.99 4.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.467 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.412 ' O ' ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -53.49 -11.88 0.39 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.375 -179.909 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.482 ' CG ' ' H ' ' A' ' 58' ' ' LYS . 62.9 t30 46.49 -172.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.453 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.482 ' H ' ' CG ' ' A' ' 57' ' ' ASN . 28.4 tptt -157.54 122.45 4.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.581 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 32.1 pttt -98.12 75.17 2.29 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.541 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 65.3 mtm180 . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.531 179.978 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.636 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.2 p -76.61 163.64 26.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.817 0.342 . . . . 0.0 110.52 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 44.8 mtmt -84.04 32.35 0.49 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.574 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.9 mmmm -51.69 -54.45 28.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.548 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -138.41 150.54 46.61 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.375 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -148.28 109.69 4.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.421 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.1 mt -123.13 59.9 1.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.362 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.8 t -38.81 -50.49 1.69 Allowed 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.398 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.9 tptp -164.26 128.09 2.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.741 179.326 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.523 ' CG ' ' OE2' ' A' ' 22' ' ' GLU . 3.3 m0 -121.78 165.59 15.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.954 -179.74 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.565 ' H ' ' CD ' ' A' ' 22' ' ' GLU . 25.7 mmtp -100.38 163.68 12.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.81 0.338 . . . . 0.0 110.391 179.705 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 92.0 t80 -65.8 -39.8 91.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.624 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.95 -57.26 13.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.082 -179.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.565 ' CD ' ' H ' ' A' ' 19' ' ' LYS . 11.6 pt-20 -63.87 -37.43 87.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.991 -179.507 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.0 mt -55.7 -55.94 26.31 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.349 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -61.79 -49.97 74.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.769 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -55.99 -54.09 48.99 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.796 -179.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.5 m -58.36 -35.44 71.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.435 -179.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.535 HD12 ' SG ' ' A' ' 39' ' ' CYS . 0.8 OUTLIER -78.11 -21.43 13.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.768 -179.554 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.919 ' ND2' HG23 ' A' ' 29' ' ' THR . 0.0 OUTLIER -105.5 -2.76 23.26 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-N 116.654 -0.248 . . . . 0.0 111.059 -179.747 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.919 HG23 ' ND2' ' A' ' 28' ' ' ASN . 34.5 p -116.94 -48.25 2.66 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.858 0.361 . . . . 0.0 110.374 179.667 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.09 168.14 11.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.118 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 35.8 t -158.32 123.83 4.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.691 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 33' ' ' ILE . 1.9 t0 -174.63 131.9 0.35 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.949 179.652 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.413 ' C ' ' O ' ' A' ' 32' ' ' ASP . 1.8 pt -38.37 -39.07 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.678 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -75.11 -52.23 11.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.003 -179.669 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.03 -52.62 60.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.901 0.382 . . . . 0.0 110.167 -179.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 29.8 mt -64.13 -52.27 59.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.822 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.02 -49.87 65.37 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.081 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.1 -48.87 79.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.424 179.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.535 ' SG ' HD12 ' A' ' 27' ' ' ILE . 8.1 t -51.42 -47.79 62.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.128 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.33 -47.31 86.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.363 179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -54.78 -36.75 65.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.309 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -69.27 -47.59 64.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.452 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -57.39 -52.52 65.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.264 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 79.3 m-70 -58.18 -50.08 74.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.495 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -59.36 -54.9 41.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.546 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 55.8 mmt-85 -51.43 -37.57 49.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.518 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.6 tp -71.45 -38.89 71.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.748 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -65.47 -53.29 44.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.718 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.505 HG23 ' N ' ' A' ' 50' ' ' TYR . 26.2 m -64.19 -41.52 92.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.599 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.505 ' N ' HG23 ' A' ' 49' ' ' VAL . 90.0 t80 -59.95 -45.88 91.22 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.523 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.41 ' CD2' ' O ' ' A' ' 51' ' ' HIS . 12.7 t60 -74.02 -28.15 61.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.549 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -79.26 -29.56 42.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.583 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -53.73 -53.12 56.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.293 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 56' ' ' LYS . 7.3 tmtm? -85.25 -60.41 2.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.422 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.7 t 42.13 -95.12 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.709 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 54' ' ' LYS . 32.9 ttmt -155.36 118.72 4.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.443 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.517 HD22 ' N ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -157.64 14.97 0.24 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.465 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -74.41 60.75 0.87 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.553 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 68.3 mttt -77.15 62.15 2.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.569 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 54.6 mtt180 . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 118.045 -0.979 . . . . 0.0 110.585 -179.97 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.618 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.9 t -45.19 163.65 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.79 0.329 . . . . 0.0 110.593 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.3 ptpp? -98.87 -17.71 18.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.523 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -44.35 -57.66 3.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.592 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -133.93 141.4 47.3 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.394 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -136.65 110.57 8.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.308 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 16' ' ' SER . 19.6 mt -123.76 59.46 1.13 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.308 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 15' ' ' LEU . 2.1 t -38.42 -51.38 1.55 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.378 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.6 tmtt? -164.47 128.38 2.55 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.698 179.263 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.532 ' CG ' ' OE2' ' A' ' 22' ' ' GLU . 2.6 m0 -121.33 163.67 18.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.07 -179.572 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.9 mptt -97.05 163.0 13.13 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.258 179.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.62 ' CD2' ' N ' ' A' ' 21' ' ' ALA . 52.7 p90 -63.58 -49.06 74.87 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.613 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.62 ' N ' ' CD2' ' A' ' 20' ' ' TYR . . . -50.11 -54.66 19.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.657 -179.357 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.532 ' OE2' ' CG ' ' A' ' 18' ' ' TRP . 24.4 pt-20 -68.11 -35.84 78.79 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.76 -0.376 . . . . 0.0 111.197 -179.065 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.3 mt -55.66 -56.62 18.25 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.43 -0.508 . . . . 0.0 110.563 -179.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -65.38 -47.64 75.66 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.389 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -54.63 -53.75 50.6 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.651 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.2 m -59.98 -35.22 74.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.226 -179.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.566 HD12 ' SG ' ' A' ' 39' ' ' CYS . 0.6 OUTLIER -77.61 -20.14 13.99 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 C-N-CA 120.566 -0.454 . . . . 0.0 110.866 -179.423 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.892 ' ND2' HG23 ' A' ' 29' ' ' THR . 0.0 OUTLIER -105.92 -5.74 19.42 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.979 -179.569 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.892 HG23 ' ND2' ' A' ' 28' ' ' ASN . 35.2 p -113.84 -48.64 2.91 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.805 0.335 . . . . 0.0 110.426 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.04 168.51 11.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.179 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 44.7 t -158.32 123.7 4.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.931 0.396 . . . . 0.0 110.79 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 33' ' ' ILE . 1.1 t70 -174.63 131.55 0.35 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.977 179.689 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 32' ' ' ASP . 1.7 pt -38.44 -38.92 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.627 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -75.2 -52.26 11.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.987 -179.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.95 -52.58 60.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.876 0.369 . . . . 0.0 110.094 -179.762 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 28.0 mt -64.72 -50.79 65.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.968 -179.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.88 -49.38 65.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.962 0.41 . . . . 0.0 110.233 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.3 -46.53 83.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.391 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.566 ' SG ' HD12 ' A' ' 27' ' ' ILE . 12.0 t -54.47 -51.97 63.35 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.29 179.766 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 46.7 mtp180 -57.64 -45.58 85.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.371 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -54.72 -41.47 70.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.202 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -64.84 -48.63 73.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.373 179.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -57.13 -52.52 64.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.207 179.761 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 60.1 t60 -57.73 -41.12 81.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.572 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 58.2 ttt180 -63.06 -51.88 64.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.53 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 32.4 ttt-85 -55.25 -41.0 71.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.491 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 13.0 mt -72.91 -32.33 65.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.491 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -67.42 -53.12 31.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.508 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.492 HG23 ' N ' ' A' ' 50' ' ' TYR . 19.2 m -67.06 -40.09 84.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.462 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.529 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 94.0 t80 -64.11 -36.06 82.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.402 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 51.3 t-80 -83.24 -32.14 26.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.513 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.45 ' C ' ' N ' ' A' ' 54' ' ' LYS . . . -87.82 -7.67 56.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.551 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.529 ' CD1' ' O ' ' A' ' 50' ' ' TYR . 0.8 OUTLIER -47.53 -15.94 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.653 -179.909 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.45 ' N ' ' C ' ' A' ' 52' ' ' ALA . 31.7 pttt -94.98 -32.7 13.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.528 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.416 ' N ' ' O ' ' A' ' 52' ' ' ALA . 8.7 t -46.57 -46.5 19.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.671 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -141.76 80.12 1.71 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.532 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 47.6 p-10 -75.45 9.83 1.97 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.494 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.415 ' CG ' ' H ' ' A' ' 59' ' ' LYS . 3.4 tppt? -67.54 -129.41 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.488 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.415 ' H ' ' CG ' ' A' ' 58' ' ' LYS . 80.8 mttt -49.33 154.05 0.94 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.554 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 40.5 mtp180 . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 117.93 -1.033 . . . . 0.0 110.556 -179.976 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.715 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.9 p -73.53 165.84 24.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.765 0.316 . . . . 0.0 110.514 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.515 ' NZ ' ' OD2' ' A' ' 14' ' ' ASP . 26.3 mtmm -83.72 -164.25 0.89 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.598 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.5 mmmt -74.31 -81.04 0.07 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.501 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.43 ' O ' ' OD1' ' A' ' 14' ' ' ASP . 11.2 m-85 -123.29 140.25 53.21 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.394 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.515 ' OD2' ' NZ ' ' A' ' 11' ' ' LYS . 63.3 m-20 -138.19 109.7 7.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.262 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.3 mt -125.16 57.36 1.3 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.339 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.7 t -39.76 -50.1 2.34 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.363 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.9 tmtp? -164.41 128.38 2.57 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.604 179.294 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.527 ' CG ' ' OE2' ' A' ' 22' ' ' GLU . 2.8 m0 -120.47 163.93 17.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.023 -179.61 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.412 ' H ' ' HD2' ' A' ' 19' ' ' LYS . 4.8 mptt -96.44 153.97 17.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.165 179.533 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -57.34 -39.31 75.63 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.935 0.397 . . . . 0.0 110.639 -179.719 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.03 -63.24 1.27 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.331 -179.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.527 ' OE2' ' CG ' ' A' ' 18' ' ' TRP . 26.6 pt-20 -60.74 -36.2 78.3 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.099 -179.311 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.5 mt -55.21 -56.09 23.88 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.143 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.8 ttm-85 -62.02 -50.57 71.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.646 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -55.54 -54.11 48.0 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.956 -179.566 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.8 m -58.44 -35.65 72.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.43 -179.476 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.604 HD12 ' SG ' ' A' ' 39' ' ' CYS . 0.6 OUTLIER -78.25 -21.17 13.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.802 -179.354 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.913 ' ND2' HG23 ' A' ' 29' ' ' THR . 0.0 OUTLIER -105.54 -3.08 22.81 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.0 -179.708 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.913 HG23 ' ND2' ' A' ' 28' ' ' ASN . 35.3 p -116.65 -48.37 2.68 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.903 0.382 . . . . 0.0 110.357 179.662 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.14 168.23 11.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.152 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 29.3 t -158.26 123.83 4.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.891 0.376 . . . . 0.0 110.763 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 33' ' ' ILE . 2.0 t70 -174.43 133.14 0.38 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.081 179.578 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.402 ' C ' ' O ' ' A' ' 32' ' ' ASP . 1.7 pt -38.44 -40.05 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.749 -179.731 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -74.67 -51.74 13.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.07 -179.642 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.87 -52.54 60.15 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.23 -179.643 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.9 mt -65.43 -52.36 53.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.991 -179.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.94 -48.85 67.02 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.28 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.88 -44.13 90.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.441 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.604 ' SG ' HD12 ' A' ' 27' ' ' ILE . 32.1 t -57.11 -50.69 72.01 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.256 179.679 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 45.0 mtp180 -59.22 -42.97 92.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.453 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -60.36 -36.69 78.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.338 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -68.44 -46.53 69.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.484 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.49 ' CD1' ' NH2' ' A' ' 46' ' ' ARG . 0.5 OUTLIER -58.76 -51.61 69.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.388 179.918 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -61.1 -43.58 98.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.506 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -64.67 -55.39 20.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.649 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.49 ' NH2' ' CD1' ' A' ' 43' ' ' PHE . 19.0 ttp85 -53.5 -39.76 64.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.538 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.7 tp -62.53 -56.47 17.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.444 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? -61.95 -49.01 77.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.265 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 20.3 t -49.78 -47.72 22.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.394 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.434 ' O ' ' N ' ' A' ' 54' ' ' LYS . 2.6 m-85 -64.2 -59.17 4.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.268 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 13.6 m170 -48.32 -31.41 5.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.362 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -84.84 -67.18 0.82 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.463 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -54.41 -14.26 1.17 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.275 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -145.28 102.57 3.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.309 -179.905 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.5 p -128.72 -28.4 2.47 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.613 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 21.4 ttmt -171.66 93.95 0.16 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.619 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.486 ' C ' ' H ' ' A' ' 59' ' ' LYS . 4.1 m-20 -96.59 21.88 8.75 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.54 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -74.89 25.8 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.489 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.486 ' H ' ' C ' ' A' ' 57' ' ' ASN . 62.8 mttt -142.81 -175.5 4.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.45 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 15.8 mmm-85 . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.508 -179.99 . . . . . . . . 0 0 . 1 stop_ save_