data_2mv1_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 2mv1 _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 ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 . . . . . 0 C--O 1.224 -0.27 0 N-CA-C 115.414 1.635 . . . . 0.0 115.414 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 4.0 p -126.62 117.6 48.58 Favored 'Isoleucine or valine' 0 C--N 1.277 -2.586 0 N-CA-C 106.866 -1.531 . . . . 0.0 106.866 172.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . 0.43 ' HB ' HD11 ' B' ' 10' ' ' LEU . 23.2 pt -116.57 164.25 13.05 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.022 0 CA-C-O 121.178 0.513 . . . . 0.0 110.63 -174.584 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -129.52 76.36 1.72 Allowed 'General case' 0 C--N 1.29 -2.021 0 CA-C-N 114.796 -1.093 . . . . 0.0 108.676 178.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.43 HD11 ' HB ' ' B' ' 8' ' ' ILE . 10.3 mp -118.83 174.84 6.05 Favored 'General case' 0 CA--C 1.482 -1.643 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.147 -178.524 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 58.4 m -151.78 166.12 32.34 Favored 'General case' 0 C--N 1.287 -2.141 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 -177.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 45.34 -119.74 3.65 Favored Glycine 0 CA--C 1.501 -0.844 0 N-CA-C 116.531 1.372 . . . . 0.0 116.531 171.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 9.8 ptp85 -73.36 -28.09 61.85 Favored 'General case' 0 C--N 1.294 -1.828 0 CA-C-N 114.493 -0.853 . . . . 0.0 111.524 -175.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -73.33 -32.03 64.33 Favored 'General case' 0 CA--C 1.496 -1.126 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.587 ' O ' ' HG3' ' B' ' 19' ' ' GLN . 10.7 tp -66.57 -41.67 88.21 Favored 'General case' 0 N--CA 1.434 -1.259 0 CA-C-N 114.403 -1.272 . . . . 0.0 108.695 179.469 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . 0.428 ' O ' HG12 ' B' ' 20' ' ' ILE . 57.5 t -69.46 -38.83 77.79 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.439 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.407 178.354 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 52.1 mtp180 -57.46 -45.25 84.98 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-O 120.868 0.366 . . . . 0.0 111.019 175.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.98 -37.96 89.38 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.248 178.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . 0.587 ' HG3' ' O ' ' B' ' 15' ' ' LEU . 47.0 mt-30 -62.71 -55.87 22.82 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.749 177.098 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . 0.428 HG12 ' O ' ' B' ' 16' ' ' VAL . 46.6 mm -53.7 -44.41 58.51 Favored 'Isoleucine or valine' 0 C--O 1.242 0.674 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.161 178.085 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.98 -49.56 67.4 Favored 'General case' 0 N--CA 1.438 -1.025 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.165 179.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.551 1.007 0 CA-C-O 121.032 0.444 . . . . 0.0 110.955 -176.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 -0.258 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 41.0 tp -63.0 -47.89 81.15 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.478 178.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.14 -49.42 66.6 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 123.643 0.777 . . . . 0.0 111.702 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -65.75 -45.25 83.29 Favored 'General case' 0 CA--C 1.506 -0.742 0 O-C-N 123.239 0.337 . . . . 0.0 110.777 177.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -59.65 -50.38 74.1 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.736 -176.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.419 ' HA ' ' HA2' ' A' ' 14' ' ' GLY . 33.5 m -67.66 -31.55 71.62 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-O 120.833 0.349 . . . . 0.0 110.6 -178.357 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.1 t -79.24 -24.85 42.75 Favored 'General case' 0 N--CA 1.429 -1.503 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.195 -176.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -92.31 -63.67 1.21 Allowed 'General case' 0 N--CA 1.446 -0.645 0 CA-C-O 121.181 0.515 . . . . 0.0 111.124 179.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 17.0 m -108.25 -45.13 7.04 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.514 0 CA-C-O 121.533 0.682 . . . . 0.0 111.388 -174.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.419 ' HA2' ' HA ' ' A' ' 10' ' ' CYS . . . 132.52 176.07 14.25 Favored Glycine 0 N--CA 1.412 -2.921 0 N-CA-C 110.375 -1.09 . . . . 0.0 110.375 178.734 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.8 p -151.55 163.39 39.15 Favored 'General case' 0 C--N 1.281 -2.397 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 -179.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.511 ' O ' HD13 ' A' ' 20' ' ' LEU . 18.9 p -82.0 145.39 30.27 Favored 'General case' 0 N--CA 1.391 -3.379 0 CA-C-O 121.118 0.485 . . . . 0.0 110.104 179.111 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.7 tptm -64.79 -26.4 68.33 Favored 'General case' 0 C--N 1.273 -2.721 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 179.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.9 mtm180 -67.92 -28.43 67.48 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.435 -1.257 . . . . 0.0 110.125 174.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.458 ' HB3' ' OG1' ' A' ' 16' ' ' THR . 23.5 p -73.31 -45.69 53.95 Favored 'General case' 0 N--CA 1.438 -1.052 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 -178.151 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.519 ' HB3' ' HG2' ' B' ' 19' ' ' GLN . 1.7 mp -68.54 -27.62 66.26 Favored 'General case' 0 CA--C 1.501 -0.905 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 177.471 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.79 -38.96 87.1 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.904 176.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.422 ' HG2' ' O ' ' A' ' 19' ' ' SER . 3.3 ptm180 . . . . . 0 C--N 1.317 -0.844 0 C-N-CA 119.661 -0.816 . . . . 0.0 111.268 -179.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . 0.475 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 24.3 tt0 . . . . . 0 N--CA 1.417 -2.106 0 N-CA-C 103.937 -2.616 . . . . 0.0 103.937 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 10.5 p -137.84 137.8 44.65 Favored 'Isoleucine or valine' 0 C--N 1.276 -2.613 0 O-C-N 123.613 0.571 . . . . 0.0 111.378 -172.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 18.9 pt -136.64 172.34 15.34 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.356 0 CA-C-N 115.368 -0.833 . . . . 0.0 108.998 178.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . 0.46 ' HE3' ' O ' ' A' ' 13' ' ' VAL . 63.0 mttp -137.16 86.96 2.24 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 179.177 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -124.21 176.58 6.33 Favored 'General case' 0 CA--C 1.47 -2.121 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 -179.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 13.4 m -154.55 166.09 34.43 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 107.237 -1.394 . . . . 0.0 107.237 -175.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 51.33 -136.35 31.14 Favored Glycine 0 C--O 1.238 0.353 0 O-C-N 123.78 0.675 . . . . 0.0 114.419 173.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.07 -10.01 59.71 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -178.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -75.68 -29.1 58.92 Favored 'General case' 0 C--O 1.241 0.639 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 176.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.534 ' O ' ' HG3' ' B' ' 19' ' ' GLN . 14.1 tp -73.4 -42.09 62.52 Favored 'General case' 0 N--CA 1.428 -1.559 0 CA-C-N 113.592 -1.64 . . . . 0.0 107.749 177.61 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 94.6 t -65.03 -40.99 90.86 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.59 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 49.7 ttp180 -52.43 -52.29 54.76 Favored 'General case' 0 C--O 1.251 1.176 0 C-N-CA 124.356 1.062 . . . . 0.0 108.761 177.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . 0.573 ' O ' HG13 ' B' ' 22' ' ' ILE . . . -60.19 -51.22 70.49 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 113.456 -1.702 . . . . 0.0 110.746 176.461 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . 0.534 ' HG3' ' O ' ' B' ' 15' ' ' LEU . 93.4 mt-30 -48.81 -56.32 9.04 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.139 0.975 . . . . 0.0 112.415 179.511 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 47.7 mm -53.7 -41.72 48.37 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.827 179.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.0 -41.56 95.28 Favored 'General case' 0 C--O 1.219 -0.512 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.654 178.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . 0.573 HG13 ' O ' ' B' ' 18' ' ' ALA . 45.3 mt . . . . . 0 C--N 1.312 -1.043 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.405 -177.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.512 -0.495 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 37.2 tp -54.39 -46.71 73.16 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.243 175.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.76 -50.75 71.35 Favored 'General case' 0 CA--C 1.508 -0.666 0 O-C-N 123.689 0.618 . . . . 0.0 110.641 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -61.67 -49.25 77.26 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.811 179.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt -59.23 -43.62 92.35 Favored 'General case' 0 C--N 1.317 -0.814 0 C-N-CA 122.801 0.44 . . . . 0.0 111.768 -179.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.465 ' HA ' ' CA ' ' A' ' 14' ' ' GLY . 10.9 t -74.79 -27.98 60.54 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-O 121.132 0.491 . . . . 0.0 110.383 -177.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.9 t -76.89 -24.99 52.53 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-O 121.499 0.666 . . . . 0.0 109.393 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 30.8 m-70 -94.64 -69.66 0.74 Allowed 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.708 177.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.46 ' O ' ' HE3' ' B' ' 9' ' ' LYS . 19.7 m -95.15 -47.91 13.01 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.159 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.794 -176.19 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.465 ' CA ' ' HA ' ' A' ' 10' ' ' CYS . . . 136.45 174.41 13.33 Favored Glycine 0 C--N 1.285 -2.261 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 177.622 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.508 ' SG ' HD11 ' A' ' 20' ' ' LEU . 20.2 p -139.77 153.77 47.23 Favored 'General case' 0 C--N 1.287 -2.113 0 CA-C-O 120.886 0.374 . . . . 0.0 111.292 -177.149 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.565 ' O ' HD13 ' A' ' 20' ' ' LEU . 61.3 p -89.82 146.55 24.37 Favored 'General case' 0 N--CA 1.415 -2.217 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 176.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.475 ' HB2' ' HB3' ' B' ' 6' ' ' GLU . 2.6 tptm -52.7 -44.85 66.58 Favored 'General case' 0 C--N 1.283 -2.295 0 C-N-CA 124.543 1.137 . . . . 0.0 112.533 -175.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.5 mmm180 -71.06 -20.39 62.37 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 119.925 -0.71 . . . . 0.0 112.871 175.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.3 t -71.43 -41.21 69.77 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 178.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.565 HD13 ' O ' ' A' ' 16' ' ' THR . 3.9 mp -67.41 -38.12 84.14 Favored 'General case' 0 CA--C 1.489 -1.373 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 174.746 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.12 -25.72 65.68 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 114.59 -1.187 . . . . 0.0 113.728 -179.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.0 ptp180 . . . . . 0 C--N 1.327 -0.373 0 C-N-CA 119.312 -0.955 . . . . 0.0 110.977 178.692 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . 0.559 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 22.7 tt0 . . . . . 0 CA--C 1.499 -0.982 0 N-CA-C 106.901 -1.518 . . . . 0.0 106.901 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 6.0 p -148.6 123.26 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.282 -2.355 0 O-C-N 124.302 1.001 . . . . 0.0 108.862 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 18.7 pt -125.26 169.82 16.15 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.97 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.985 -176.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -127.78 88.01 2.71 Favored 'General case' 0 C--N 1.29 -2.014 0 CA-C-N 115.252 -0.886 . . . . 0.0 108.879 177.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 10.6 mp -119.76 170.34 9.3 Favored 'General case' 0 C--N 1.291 -1.956 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.657 178.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 48.9 t -161.92 164.11 28.71 Favored 'General case' 0 C--N 1.281 -2.386 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 -175.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 54.15 -130.53 44.33 Favored Glycine 0 C--N 1.295 -1.725 0 O-C-N 124.573 1.17 . . . . 0.0 113.638 178.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . 0.43 ' O ' ' HG3' ' B' ' 17' ' ' ARG . 71.3 ttt180 -66.48 -35.29 79.92 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-N 114.838 -0.681 . . . . 0.0 111.9 -178.77 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -64.88 -35.83 82.39 Favored 'General case' 0 CA--C 1.5 -0.95 0 C-N-CA 120.363 -0.535 . . . . 0.0 109.674 -177.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.425 ' CD2' ' HA ' ' A' ' 7' ' ' ALA . 35.8 tp -65.13 -41.64 94.63 Favored 'General case' 0 N--CA 1.438 -1.044 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.429 -178.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 74.7 t -68.94 -37.94 77.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.017 177.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . 0.43 ' HG3' ' O ' ' B' ' 13' ' ' ARG . 81.8 mtp180 -60.83 -41.22 95.36 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.31 178.126 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . 0.581 ' O ' HG13 ' B' ' 22' ' ' ILE . . . -67.61 -46.52 72.3 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.879 177.33 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . 0.503 ' HG2' ' HB3' ' A' ' 20' ' ' LEU . 94.2 mt-30 -50.92 -57.8 7.62 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.048 0.939 . . . . 0.0 111.352 177.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 1.7 mp -59.51 -36.49 64.98 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.185 0 CA-C-N 115.277 -0.874 . . . . 0.0 112.122 178.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.76 -44.05 91.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.745 0.307 . . . . 0.0 110.427 178.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . 0.581 HG13 ' O ' ' B' ' 18' ' ' ALA . 64.0 mt . . . . . 0 C--O 1.214 -0.808 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.712 178.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 54.9 tp -58.67 -43.76 89.97 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 116.719 -0.219 . . . . 0.0 110.513 176.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.425 ' HA ' ' CD2' ' B' ' 15' ' ' LEU . . . -54.68 -53.89 48.89 Favored 'General case' 0 N--CA 1.447 -0.582 0 O-C-N 123.88 0.738 . . . . 0.0 111.076 -179.619 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -67.09 -46.43 74.26 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.069 -179.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt -60.99 -42.89 99.29 Favored 'General case' 0 C--O 1.212 -0.913 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -178.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.437 ' HA ' ' CA ' ' A' ' 14' ' ' GLY . 13.5 t -77.02 -24.97 52.11 Favored 'General case' 0 C--N 1.299 -1.612 0 CA-C-O 121.234 0.54 . . . . 0.0 109.82 -178.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.6 t -70.98 -36.11 72.37 Favored 'General case' 0 N--CA 1.438 -1.038 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 178.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 61.6 m-70 -92.84 -68.36 0.8 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.17 -0.468 . . . . 0.0 112.218 179.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 19.8 m -88.88 -47.8 15.04 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.987 0 N-CA-C 112.653 0.612 . . . . 0.0 112.653 -176.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.437 ' CA ' ' HA ' ' A' ' 10' ' ' CYS . . . 133.86 174.71 13.62 Favored Glycine 0 C--N 1.286 -2.217 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 178.219 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.4 p -144.78 152.27 40.08 Favored 'General case' 0 C--N 1.292 -1.935 0 CA-C-O 121.093 0.473 . . . . 0.0 111.296 -177.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.537 ' O ' HD12 ' A' ' 20' ' ' LEU . 20.8 p -82.6 153.19 25.58 Favored 'General case' 0 N--CA 1.409 -2.511 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 176.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.559 ' HB2' ' HB3' ' B' ' 6' ' ' GLU . 10.3 tptm -62.48 -32.72 73.66 Favored 'General case' 0 C--N 1.28 -2.433 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.775 -176.139 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 65.1 mtm180 -65.29 -26.83 68.24 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-O 120.868 0.366 . . . . 0.0 111.516 172.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.413 ' HB3' ' O ' ' A' ' 16' ' ' THR . 32.0 t -73.83 -43.21 59.45 Favored 'General case' 0 N--CA 1.43 -1.45 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 -176.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.537 HD12 ' O ' ' A' ' 16' ' ' THR . 1.6 mp -71.08 -35.66 71.95 Favored 'General case' 0 CA--C 1.505 -0.771 0 C-N-CA 119.073 -1.051 . . . . 0.0 108.881 177.298 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.78 -33.52 74.24 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 114.894 -1.048 . . . . 0.0 112.487 -177.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 . . . . . 0 C--N 1.319 -0.749 0 N-CA-C 112.192 0.441 . . . . 0.0 112.192 -176.902 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . 0.539 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 27.9 tt0 . . . . . 0 N--CA 1.429 -1.505 0 N-CA-C 107.516 -1.29 . . . . 0.0 107.516 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 8.5 p -141.41 128.48 20.91 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.316 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 178.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 23.9 pt -127.95 171.85 15.56 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.012 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 -177.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -134.75 82.28 1.95 Allowed 'General case' 0 C--N 1.291 -1.97 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 177.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 9.8 mp -118.96 175.59 5.69 Favored 'General case' 0 C--N 1.299 -1.609 0 CA-C-N 115.131 -0.941 . . . . 0.0 109.612 -179.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 35.0 m -144.48 160.8 40.49 Favored 'General case' 0 C--N 1.287 -2.128 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.181 -178.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 42.82 -116.42 1.22 Allowed Glycine 0 C--N 1.335 0.487 0 N-CA-C 116.678 1.431 . . . . 0.0 116.678 173.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -68.81 -25.11 64.51 Favored 'General case' 0 C--N 1.291 -1.936 0 CA-C-N 113.39 -1.405 . . . . 0.0 112.025 -174.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -77.83 -29.69 50.73 Favored 'General case' 0 N--CA 1.44 -0.968 0 C-N-CA 120.575 -0.45 . . . . 0.0 109.945 179.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.499 ' CD1' ' HA ' ' A' ' 7' ' ' ALA . 95.8 mt -64.0 -41.4 97.5 Favored 'General case' 0 CA--C 1.501 -0.913 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.013 173.748 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 55.1 t -65.34 -41.69 91.9 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.719 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.269 178.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 19.8 mmm180 -59.54 -41.25 89.65 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 111.96 0.355 . . . . 0.0 111.96 176.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . 0.454 ' O ' HG13 ' B' ' 22' ' ' ILE . . . -66.93 -44.97 79.28 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.709 178.589 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . 0.418 ' CG ' ' HB3' ' A' ' 20' ' ' LEU . 87.1 mt-30 -54.43 -54.27 43.02 Favored 'General case' 0 C--O 1.24 0.592 0 C-N-CA 124.048 0.939 . . . . 0.0 110.999 176.066 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 80.9 mt -56.57 -43.03 77.55 Favored 'Isoleucine or valine' 0 C--O 1.251 1.165 0 CA-C-N 114.918 -1.037 . . . . 0.0 110.753 177.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.47 -44.1 97.22 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.703 179.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . 0.454 HG13 ' O ' ' B' ' 18' ' ' ALA . 74.3 mt . . . . . 0 N--CA 1.477 0.893 0 C-N-CA 124.392 1.077 . . . . 0.0 111.669 178.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.481 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 64.8 tp -58.07 -44.11 87.34 Favored 'General case' 0 C--O 1.235 0.323 0 O-C-N 123.293 0.371 . . . . 0.0 110.646 178.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.499 ' HA ' ' CD1' ' B' ' 15' ' ' LEU . . . -56.07 -52.09 65.52 Favored 'General case' 0 N--CA 1.451 -0.403 0 O-C-N 123.928 0.768 . . . . 0.0 111.301 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -68.64 -45.94 70.51 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.102 -178.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 60.6 mtpt -60.41 -45.5 93.37 Favored 'General case' 0 C--N 1.312 -1.046 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 -178.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.484 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 11.5 t -73.48 -28.45 61.94 Favored 'General case' 0 C--N 1.304 -1.395 0 C-N-CA 120.766 -0.373 . . . . 0.0 110.309 -178.605 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 8.7 t -75.66 -32.73 60.29 Favored 'General case' 0 N--CA 1.432 -1.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.194 -178.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 37.1 m-70 -88.07 -61.0 1.81 Allowed 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.613 -0.435 . . . . 0.0 111.703 179.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 19.7 m -101.18 -47.84 11.44 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.128 0 CA-C-O 121.404 0.621 . . . . 0.0 112.344 -176.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.484 ' C ' ' HA ' ' A' ' 10' ' ' CYS . . . 139.04 173.7 13.14 Favored Glycine 0 C--N 1.282 -2.441 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 178.302 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.515 ' SG ' HD11 ' A' ' 20' ' ' LEU . 22.8 p -139.49 152.54 47.05 Favored 'General case' 0 C--N 1.285 -2.226 0 CA-C-O 121.404 0.621 . . . . 0.0 111.446 -177.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.503 ' O ' HD13 ' A' ' 20' ' ' LEU . 3.3 p -86.66 145.16 26.82 Favored 'General case' 0 N--CA 1.397 -3.119 0 CA-C-N 114.843 -1.071 . . . . 0.0 108.894 177.703 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.539 ' HB2' ' HB3' ' B' ' 6' ' ' GLU . 12.8 tptm -63.37 -30.58 71.69 Favored 'General case' 0 C--N 1.293 -1.883 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.441 -175.442 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.3 mmm180 -65.57 -25.0 67.22 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-O 121.095 0.474 . . . . 0.0 110.673 174.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.49 ' HB3' ' O ' ' A' ' 16' ' ' THR . 47.8 t -76.81 -45.12 29.87 Favored 'General case' 0 N--CA 1.434 -1.261 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.708 -178.641 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.515 HD11 ' SG ' ' A' ' 15' ' ' CYS . 1.7 mp -70.26 -29.52 66.34 Favored 'General case' 0 CA--C 1.494 -1.176 0 C-N-CA 119.037 -1.065 . . . . 0.0 108.993 178.138 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.03 -37.8 88.8 Favored 'General case' 0 C--N 1.309 -1.167 0 O-C-N 124.109 0.881 . . . . 0.0 110.479 177.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.6 tpm_? . . . . . 0 C--N 1.32 -0.714 0 CA-C-O 121.572 0.701 . . . . 0.0 111.023 179.587 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . 0.479 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 22.3 tt0 . . . . . 0 N--CA 1.432 -1.364 0 N-CA-C 105.077 -2.194 . . . . 0.0 105.077 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.68 134.8 13.75 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.474 0 O-C-N 123.671 0.607 . . . . 0.0 109.545 -176.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -135.93 166.24 27.62 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.638 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -124.05 84.92 2.34 Favored 'General case' 0 C--N 1.311 -1.103 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 177.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 10.9 mp -117.03 175.79 5.43 Favored 'General case' 0 C--N 1.294 -1.835 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.942 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' CYS . . . . . 0.421 ' O ' ' HB2' ' B' ' 14' ' ' GLU . 38.2 t -158.45 166.43 32.22 Favored 'General case' 0 C--N 1.282 -2.348 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 -178.751 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 45.2 -125.2 6.76 Favored Glycine 0 C--O 1.266 2.15 0 O-C-N 124.671 1.232 . . . . 0.0 115.759 177.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 18.7 ptt180 -65.22 -23.55 67.1 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 114.174 -1.013 . . . . 0.0 111.188 -178.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . 0.421 ' HB2' ' O ' ' B' ' 11' ' ' CYS . 45.8 mt-10 -72.21 -34.87 68.7 Favored 'General case' 0 N--CA 1.439 -1.001 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 -178.27 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 95.5 mt -62.91 -41.98 99.64 Favored 'General case' 0 CA--C 1.489 -1.377 0 N-CA-C 108.658 -0.868 . . . . 0.0 108.658 174.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 25.3 t -64.66 -39.65 86.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.704 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . 0.459 ' HA ' ' NE ' ' B' ' 17' ' ' ARG . 2.7 mmp_? -53.67 -50.35 65.99 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.601 175.153 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . 0.616 ' O ' HG13 ' B' ' 22' ' ' ILE . . . -65.93 -50.08 65.69 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 114.927 -1.033 . . . . 0.0 110.944 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -51.67 -55.79 17.4 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 124.208 1.003 . . . . 0.0 111.705 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 79.9 mt -59.36 -37.94 72.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.586 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.34 -35.81 82.07 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.185 0.516 . . . . 0.0 110.148 177.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . 0.616 HG13 ' O ' ' B' ' 18' ' ' ALA . 64.3 mt . . . . . 0 C--N 1.317 -0.834 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.728 177.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.213 -0.818 0 CA-C-O 119.406 -0.33 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 54.5 tp -52.94 -44.45 67.06 Favored 'General case' 0 N--CA 1.488 1.444 0 CA-C-O 120.912 0.387 . . . . 0.0 110.35 178.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.74 -51.29 70.15 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 114.7 -1.136 . . . . 0.0 110.352 178.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -61.15 -48.33 82.09 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.807 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp -59.03 -49.94 75.97 Favored 'General case' 0 C--N 1.308 -1.213 0 C-N-CA 123.85 0.86 . . . . 0.0 112.694 -177.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.447 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 7.5 t -71.18 -26.59 63.04 Favored 'General case' 0 C--N 1.302 -1.48 0 CA-C-O 121.327 0.584 . . . . 0.0 110.291 -176.539 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.4 t -75.36 -25.62 57.88 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.582 -178.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 24.8 m-70 -101.92 -58.47 1.87 Allowed 'General case' 0 CA--C 1.515 -0.37 0 N-CA-C 112.978 0.732 . . . . 0.0 112.978 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 19.0 m -104.19 -44.54 9.04 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 -177.123 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.447 ' C ' ' HA ' ' A' ' 10' ' ' CYS . . . 137.47 176.22 14.3 Favored Glycine 0 C--N 1.293 -1.859 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 177.411 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.494 ' SG ' HD11 ' A' ' 20' ' ' LEU . 20.8 p -142.76 155.02 44.78 Favored 'General case' 0 C--N 1.298 -1.661 0 CA-C-O 121.022 0.439 . . . . 0.0 111.714 -177.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.528 ' O ' HD13 ' A' ' 20' ' ' LEU . 10.8 p -89.94 144.89 25.54 Favored 'General case' 0 N--CA 1.415 -2.176 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.154 177.35 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.479 ' HB2' ' HB3' ' B' ' 6' ' ' GLU . 13.7 tptm -59.3 -41.38 88.85 Favored 'General case' 0 C--N 1.289 -2.059 0 C-N-CA 123.787 0.835 . . . . 0.0 112.53 -172.765 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.0 mmm180 -68.86 -20.78 64.29 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 120.351 -0.54 . . . . 0.0 111.782 175.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.4 ' HB3' ' O ' ' A' ' 16' ' ' THR . 22.7 t -73.29 -38.45 65.88 Favored 'General case' 0 C--N 1.31 -1.148 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.528 HD13 ' O ' ' A' ' 16' ' ' THR . 2.1 mp -72.75 -36.9 67.82 Favored 'General case' 0 CA--C 1.496 -1.127 0 C-N-CA 118.737 -1.185 . . . . 0.0 108.486 175.028 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.02 -35.72 73.75 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 114.828 -1.078 . . . . 0.0 113.092 -178.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 . . . . . 0 C--N 1.323 -0.577 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -176.225 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . 0.482 ' O ' ' HA ' ' A' ' 16' ' ' THR . 8.1 mm-40 . . . . . 0 C--O 1.215 -0.754 0 CA-C-O 121.396 0.617 . . . . 0.0 112.477 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.7 p -131.9 123.98 52.46 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.163 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 176.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . 0.435 ' HB ' HD11 ' B' ' 10' ' ' LEU . 26.1 pt -121.0 162.14 20.12 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.6 0 CA-C-O 121.167 0.508 . . . . 0.0 110.493 -176.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 58.4 mtpt -139.32 63.26 1.51 Allowed 'General case' 0 C--N 1.295 -1.795 0 CA-C-N 114.684 -1.143 . . . . 0.0 108.62 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.435 HD11 ' HB ' ' B' ' 8' ' ' ILE . 7.5 mp -102.64 175.59 5.45 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.134 -177.628 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 64.3 m -149.79 165.1 33.5 Favored 'General case' 0 C--N 1.297 -1.681 0 O-C-N 123.756 0.66 . . . . 0.0 109.73 -178.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 51.32 -129.44 32.64 Favored Glycine 0 C--O 1.248 1.005 0 O-C-N 123.894 0.746 . . . . 0.0 114.922 175.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 17.1 ptp180 -74.17 -10.31 59.48 Favored 'General case' 0 C--N 1.309 -1.179 0 CA-C-N 115.057 -0.572 . . . . 0.0 111.542 -178.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.94 -34.91 64.48 Favored 'General case' 0 N--CA 1.442 -0.874 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 174.012 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 88.7 mt -64.37 -41.52 96.68 Favored 'General case' 0 C--O 1.208 -1.114 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.327 175.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 46.4 t -66.16 -41.03 88.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.704 178.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 31.1 tpt180 -54.92 -57.19 12.62 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 177.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . 0.4 ' HB2' ' HE3' ' A' ' 17' ' ' LYS . . . -56.84 -45.4 82.41 Favored 'General case' 0 C--N 1.305 -1.353 0 CA-C-N 113.44 -1.709 . . . . 0.0 111.621 179.057 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . 0.498 ' O ' HG22 ' B' ' 22' ' ' ILE . 36.7 mt-30 -64.37 -53.53 47.09 Favored 'General case' 0 C--O 1.198 -1.618 0 N-CA-C 112.594 0.59 . . . . 0.0 112.594 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 46.8 mm -57.27 -38.17 60.46 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.946 0 CA-C-O 121.313 0.578 . . . . 0.0 110.037 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.36 -48.41 73.06 Favored 'General case' 0 N--CA 1.437 -1.116 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.84 178.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . 0.498 HG22 ' O ' ' B' ' 19' ' ' GLN . 8.5 tp . . . . . 0 C--O 1.213 -0.828 0 CA-C-O 121.011 0.434 . . . . 0.0 110.453 -178.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.243 0.761 0 CA-C-O 121.11 0.481 . . . . 0.0 109.755 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.407 ' HG ' ' SG ' ' A' ' 10' ' ' CYS . 51.1 tp -61.6 -38.19 86.68 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.219 -0.9 . . . . 0.0 109.809 178.557 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.22 -44.88 72.07 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.775 179.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 54.8 m-80 -62.67 -48.08 80.87 Favored 'General case' 0 CA--C 1.502 -0.899 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 177.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 59.0 mtpt -59.18 -47.84 83.83 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-N 115.193 -0.912 . . . . 0.0 112.429 -176.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.407 ' SG ' ' HG ' ' A' ' 6' ' ' LEU . 38.3 m -69.33 -28.03 65.88 Favored 'General case' 0 C--N 1.308 -1.228 0 O-C-N 122.213 -0.304 . . . . 0.0 110.989 -179.688 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 42.9 t -79.22 -37.34 38.36 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-O 121.223 0.535 . . . . 0.0 110.588 -178.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 46.0 m-70 -86.23 -50.43 6.97 Favored 'General case' 0 C--N 1.31 -1.125 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -177.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.0 m -112.95 -46.1 5.23 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.806 0 CA-C-O 121.237 0.542 . . . . 0.0 112.394 -178.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 122.67 164.88 12.26 Favored Glycine 0 C--N 1.286 -2.214 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 178.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.5 p -150.92 164.49 36.2 Favored 'General case' 0 C--N 1.289 -2.053 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 -176.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.483 ' O ' HD12 ' A' ' 20' ' ' LEU . 38.3 p -78.46 151.67 32.51 Favored 'General case' 0 N--CA 1.397 -3.077 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 176.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.4 ' HE3' ' HB2' ' B' ' 18' ' ' ALA . 18.4 tptm -67.24 -25.22 65.98 Favored 'General case' 0 C--N 1.287 -2.134 0 N-CA-C 106.979 -1.489 . . . . 0.0 106.979 177.761 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 45.0 mmm-85 -66.07 -30.36 70.87 Favored 'General case' 0 C--N 1.339 0.129 0 CA-C-N 114.891 -1.05 . . . . 0.0 109.242 173.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.9 t -73.11 -37.68 66.6 Favored 'General case' 0 N--CA 1.426 -1.666 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.543 -178.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.483 HD12 ' O ' ' A' ' 16' ' ' THR . 0.8 OUTLIER -75.94 -31.91 59.32 Favored 'General case' 0 C--O 1.212 -0.881 0 C-N-CA 118.366 -1.333 . . . . 0.0 108.65 174.027 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.6 -34.68 74.58 Favored 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 32.1 ptt180 . . . . . 0 C--N 1.319 -0.752 0 CA-C-O 120.732 0.301 . . . . 0.0 111.691 179.5 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . 0.497 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 8.7 tp10 . . . . . 0 N--CA 1.421 -1.891 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.1 p -137.32 124.0 28.86 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.251 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 176.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 22.2 pt -125.71 171.95 13.78 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.867 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 -178.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -136.53 77.28 1.64 Allowed 'General case' 0 C--N 1.284 -2.261 0 CA-C-O 121.683 0.754 . . . . 0.0 109.385 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 10.8 mp -107.71 171.39 7.42 Favored 'General case' 0 CA--C 1.475 -1.94 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.234 179.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 53.1 t -161.21 163.35 31.17 Favored 'General case' 0 C--N 1.286 -2.182 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.736 -175.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 54.85 -129.16 44.7 Favored Glycine 0 C--O 1.251 1.184 0 O-C-N 124.843 1.34 . . . . 0.0 113.068 179.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 75.3 mtm180 -67.67 -32.83 73.77 Favored 'General case' 0 C--N 1.299 -1.599 0 CA-C-N 114.539 -0.831 . . . . 0.0 111.634 -178.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -68.5 -34.03 75.18 Favored 'General case' 0 CA--C 1.488 -1.425 0 C-N-CA 120.374 -0.531 . . . . 0.0 110.339 -177.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.486 ' CD2' ' HA ' ' A' ' 7' ' ' ALA . 28.2 tp -66.8 -40.49 88.13 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-N 115.089 -0.959 . . . . 0.0 109.242 179.528 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . 0.409 ' O ' HG12 ' B' ' 20' ' ' ILE . 57.4 t -68.19 -40.45 82.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.333 176.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 75.9 mtp180 -57.76 -46.62 84.28 Favored 'General case' 0 CA--C 1.514 -0.442 0 C-N-CA 122.731 0.412 . . . . 0.0 110.781 176.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . 0.569 ' O ' HG12 ' B' ' 22' ' ' ILE . . . -61.96 -45.85 91.87 Favored 'General case' 0 C--N 1.315 -0.91 0 O-C-N 123.878 0.736 . . . . 0.0 110.037 177.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . 0.462 ' HG2' ' HB3' ' A' ' 20' ' ' LEU . 82.1 mt-30 -55.62 -53.51 55.59 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 123.269 0.628 . . . . 0.0 111.476 177.02 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . 0.409 HG12 ' O ' ' B' ' 16' ' ' VAL . 48.6 mm -58.93 -37.29 66.35 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.769 177.575 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.25 -40.19 96.74 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.425 178.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . 0.569 HG12 ' O ' ' B' ' 18' ' ' ALA . 45.2 mm . . . . . 0 C--O 1.216 -0.686 0 O-C-N 123.779 0.674 . . . . 0.0 109.538 177.188 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.268 0 CA-C-O 120.866 0.365 . . . . 0.0 110.255 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 44.7 tp -63.67 -43.35 96.95 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.152 178.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.486 ' HA ' ' CD2' ' B' ' 15' ' ' LEU . . . -56.76 -46.84 81.19 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.18 -179.552 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -70.58 -44.79 66.63 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.852 179.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 58.2 tttp -60.12 -48.13 82.99 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.654 -0.248 . . . . 0.0 111.549 -177.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.496 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 6.3 t -70.1 -30.0 67.1 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-O 120.846 0.355 . . . . 0.0 110.252 -177.485 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 22.7 t -72.97 -39.66 65.94 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.909 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 30.4 m-70 -81.26 -55.55 4.65 Favored 'General case' 0 CA--C 1.512 -0.495 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -178.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 19.1 m -112.04 -51.58 5.79 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.483 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 -177.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.496 ' C ' ' HA ' ' A' ' 10' ' ' CYS . . . 149.15 170.54 16.9 Favored Glycine 0 C--N 1.296 -1.694 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.7 p -139.59 158.77 43.57 Favored 'General case' 0 C--N 1.292 -1.898 0 CA-C-O 120.927 0.394 . . . . 0.0 110.585 -178.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.55 ' O ' HD13 ' A' ' 20' ' ' LEU . 8.8 p -93.29 144.73 25.03 Favored 'General case' 0 N--CA 1.404 -2.746 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.348 178.45 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.497 ' HB2' ' HB3' ' B' ' 6' ' ' GLU . 37.3 tptt -61.63 -35.8 78.96 Favored 'General case' 0 C--N 1.299 -1.594 0 C-N-CA 124.065 0.946 . . . . 0.0 109.534 -175.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 71.8 mtm180 -65.21 -27.7 68.87 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-O 121.018 0.437 . . . . 0.0 109.976 174.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.447 ' O ' ' HG2' ' A' ' 22' ' ' ARG . 16.1 t -76.81 -40.39 48.2 Favored 'General case' 0 N--CA 1.414 -2.24 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.003 -176.729 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.55 HD13 ' O ' ' A' ' 16' ' ' THR . 0.7 OUTLIER -69.49 -29.89 67.63 Favored 'General case' 0 CA--C 1.506 -0.725 0 C-N-CA 118.151 -1.42 . . . . 0.0 108.349 175.62 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.414 ' HA ' HG22 ' B' ' 22' ' ' ILE . . . -68.14 -36.16 79.24 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 115.135 -0.939 . . . . 0.0 112.448 178.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.447 ' HG2' ' O ' ' A' ' 19' ' ' SER . 20.6 ptt180 . . . . . 0 C--N 1.321 -0.646 0 CA-C-O 121.06 0.457 . . . . 0.0 111.048 -177.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . 0.484 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 31.2 tt0 . . . . . 0 N--CA 1.42 -1.937 0 N-CA-C 107.199 -1.408 . . . . 0.0 107.199 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 6.7 p -140.2 128.66 25.83 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.366 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 177.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -131.4 165.05 32.7 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 -177.722 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -126.84 90.46 3.16 Favored 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 176.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 10.9 mp -119.95 175.36 5.94 Favored 'General case' 0 CA--C 1.485 -1.554 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.211 -178.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 56.7 m -152.47 163.19 40.04 Favored 'General case' 0 C--N 1.297 -1.709 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 -177.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 45.47 -122.1 5.28 Favored Glycine 0 CA--C 1.498 -0.972 0 O-C-N 124.635 1.21 . . . . 0.0 115.673 172.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . 0.482 ' O ' ' HG2' ' B' ' 17' ' ' ARG . 55.7 ttp180 -62.82 -39.09 93.23 Favored 'General case' 0 C--N 1.304 -1.407 0 CA-C-N 114.155 -1.022 . . . . 0.0 110.75 -178.266 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -69.77 -31.66 69.73 Favored 'General case' 0 CA--C 1.499 -0.992 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 -175.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.545 ' O ' ' HG3' ' B' ' 19' ' ' GLN . 12.9 tp -68.15 -42.11 80.58 Favored 'General case' 0 N--CA 1.436 -1.152 0 CA-C-N 114.866 -1.061 . . . . 0.0 108.798 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 98.8 t -70.87 -36.56 64.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.535 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . 0.482 ' HG2' ' O ' ' B' ' 13' ' ' ARG . 12.1 mmt85 -59.66 -42.92 93.91 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.57 175.662 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . 0.473 ' O ' HG13 ' B' ' 22' ' ' ILE . . . -64.36 -44.84 90.17 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.571 177.602 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . 0.545 ' HG3' ' O ' ' B' ' 15' ' ' LEU . 94.4 mt-30 -54.67 -59.6 4.49 Favored 'General case' 0 C--O 1.22 -0.468 0 C-N-CA 124.215 1.006 . . . . 0.0 111.207 177.377 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 80.5 mt -53.79 -36.55 30.11 Favored 'Isoleucine or valine' 0 C--O 1.249 1.061 0 C-N-CA 124.024 0.929 . . . . 0.0 111.273 178.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.68 -26.9 65.53 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.451 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . 0.473 HG13 ' O ' ' B' ' 18' ' ' ALA . 75.5 mt . . . . . 0 C--N 1.31 -1.113 0 CA-C-O 121.278 0.561 . . . . 0.0 109.696 177.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.209 -1.053 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.411 HD11 ' HG ' ' A' ' 19' ' ' SER . 59.1 tp -56.93 -42.61 80.33 Favored 'General case' 0 C--N 1.33 -0.271 0 O-C-N 123.577 0.548 . . . . 0.0 110.41 178.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.452 ' HA ' ' CD2' ' B' ' 15' ' ' LEU . . . -57.98 -53.76 54.62 Favored 'General case' 0 C--O 1.246 0.904 0 CA-C-O 120.937 0.398 . . . . 0.0 111.007 179.405 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.626 ' O ' ' HD2' ' A' ' 12' ' ' HIS . 40.7 m-80 -66.31 -55.93 13.65 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.677 179.642 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -54.55 -44.74 73.14 Favored 'General case' 0 C--N 1.311 -1.068 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 -175.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.478 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 9.9 t -73.08 -27.03 61.49 Favored 'General case' 0 C--N 1.307 -1.271 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 -178.644 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 8.7 t -75.83 -34.71 60.12 Favored 'General case' 0 N--CA 1.441 -0.909 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.524 178.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.626 ' HD2' ' O ' ' A' ' 8' ' ' ASN . 48.3 m-70 -86.47 -58.39 2.64 Favored 'General case' 0 CA--C 1.499 -1.01 0 CA-C-O 121.713 0.768 . . . . 0.0 111.081 -179.287 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -104.97 -39.38 5.24 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.0 0 CA-C-N 114.797 -1.092 . . . . 0.0 111.85 -171.089 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.478 ' C ' ' HA ' ' A' ' 10' ' ' CYS . . . 122.73 170.41 13.57 Favored Glycine 0 N--CA 1.435 -1.389 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.428 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.457 ' SG ' HD12 ' A' ' 20' ' ' LEU . 26.1 p -144.46 158.9 43.53 Favored 'General case' 0 C--N 1.291 -1.964 0 CA-C-O 120.923 0.392 . . . . 0.0 110.435 -178.702 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.537 ' O ' HD11 ' A' ' 20' ' ' LEU . 17.3 p -86.68 144.53 27.08 Favored 'General case' 0 N--CA 1.401 -2.91 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.624 178.008 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.484 ' HB2' ' HB3' ' B' ' 6' ' ' GLU . 9.5 tptm -62.7 -34.39 77.06 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 -179.294 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.4 mmm180 -58.29 -31.57 67.61 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.44 172.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.411 ' HG ' HD11 ' A' ' 6' ' ' LEU . 47.4 t -73.6 -47.5 39.83 Favored 'General case' 0 N--CA 1.431 -1.423 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 -177.618 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.537 HD11 ' O ' ' A' ' 16' ' ' THR . 0.8 OUTLIER -68.77 -27.01 65.51 Favored 'General case' 0 CA--C 1.507 -0.695 0 C-N-CA 119.014 -1.075 . . . . 0.0 109.257 179.749 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.15 -40.15 82.47 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.814 176.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 27.4 tpt180 . . . . . 0 C--N 1.315 -0.922 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.738 -178.315 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . 0.452 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 23.4 tt0 . . . . . 0 N--CA 1.413 -2.285 0 N-CA-C 106.826 -1.546 . . . . 0.0 106.826 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 4.9 p -143.14 122.76 8.97 Favored 'Isoleucine or valine' 0 C--N 1.256 -3.494 0 CA-C-N 114.999 -1.0 . . . . 0.0 109.204 -179.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . 0.454 ' HB ' HD11 ' B' ' 10' ' ' LEU . 0.2 OUTLIER -126.22 158.32 35.98 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.681 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.979 -176.208 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -116.26 75.24 0.94 Allowed 'General case' 0 N--CA 1.438 -1.037 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 178.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.454 HD11 ' HB ' ' B' ' 8' ' ' ILE . 9.8 mp -111.43 175.87 5.25 Favored 'General case' 0 CA--C 1.475 -1.934 0 CA-C-N 114.935 -1.03 . . . . 0.0 109.414 -179.475 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 45.7 t -156.39 164.17 38.6 Favored 'General case' 0 C--N 1.276 -2.627 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 -176.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 46.53 -123.52 7.3 Favored Glycine 0 C--N 1.303 -1.264 0 O-C-N 124.775 1.297 . . . . 0.0 115.592 178.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -67.41 -24.18 65.63 Favored 'General case' 0 C--N 1.306 -1.291 0 CA-C-N 114.05 -1.075 . . . . 0.0 111.433 -177.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -72.04 -32.48 67.16 Favored 'General case' 0 N--CA 1.432 -1.343 0 C-N-CA 120.449 -0.5 . . . . 0.0 110.368 177.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 79.2 mt -63.21 -41.28 99.13 Favored 'General case' 0 CA--C 1.491 -1.291 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 173.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 43.0 t -62.04 -41.81 92.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 O-C-N 123.701 0.626 . . . . 0.0 109.689 178.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -57.37 -53.35 59.1 Favored 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 177.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.53 -38.72 85.33 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 114.162 -1.381 . . . . 0.0 111.853 179.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . 0.539 ' O ' HG22 ' B' ' 22' ' ' ILE . 87.4 mt-30 -63.92 -51.18 65.66 Favored 'General case' 0 C--N 1.315 -0.91 0 C-N-CA 123.608 0.763 . . . . 0.0 110.936 176.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 77.2 mt -60.67 -28.15 42.19 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.211 0 CA-C-O 121.491 0.662 . . . . 0.0 109.796 175.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.11 -21.67 53.9 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.534 177.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . 0.539 HG22 ' O ' ' B' ' 19' ' ' GLN . 0.1 OUTLIER . . . . . 0 N--CA 1.438 -1.031 0 C-N-CA 120.22 -0.592 . . . . 0.0 109.42 176.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.47 0 N-CA-C 110.723 -0.102 . . . . 0.0 110.723 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 32.7 tp -61.46 -51.04 70.35 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 176.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.5 -45.75 69.8 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 114.906 -1.043 . . . . 0.0 111.673 -177.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -70.15 -39.6 75.27 Favored 'General case' 0 C--O 1.207 -1.147 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.141 178.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 26.2 tptp -61.99 -50.75 70.84 Favored 'General case' 0 C--N 1.311 -1.094 0 C-N-CA 122.722 0.409 . . . . 0.0 110.644 -176.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.403 ' HA ' ' CA ' ' A' ' 14' ' ' GLY . 29.6 m -65.62 -37.19 85.88 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-O 120.955 0.407 . . . . 0.0 110.147 -179.697 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 34.7 t -69.56 -40.45 76.79 Favored 'General case' 0 C--O 1.247 0.967 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.207 -177.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 25.9 m170 -79.95 -54.05 6.17 Favored 'General case' 0 CA--C 1.499 -0.981 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.569 -176.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 18.2 m -117.99 -49.48 4.02 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.775 0 N-CA-C 112.605 0.594 . . . . 0.0 112.605 -177.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.403 ' CA ' ' HA ' ' A' ' 10' ' ' CYS . . . 140.63 173.2 13.31 Favored Glycine 0 C--N 1.291 -1.926 0 N-CA-C 110.753 -0.939 . . . . 0.0 110.753 178.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.0 p -153.99 161.61 41.83 Favored 'General case' 0 C--N 1.293 -1.869 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 178.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.516 ' O ' HD13 ' A' ' 20' ' ' LEU . 22.7 p -81.18 153.53 27.16 Favored 'General case' 0 N--CA 1.408 -2.557 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.563 179.552 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.452 ' HB2' ' HB3' ' B' ' 6' ' ' GLU . 16.1 tptm -61.99 -31.37 71.73 Favored 'General case' 0 C--N 1.283 -2.316 0 C-N-CA 123.668 0.787 . . . . 0.0 110.367 -176.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 25.4 mmm180 -74.82 -21.06 59.5 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.254 175.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.8 t -74.34 -38.8 63.15 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 178.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.516 HD13 ' O ' ' A' ' 16' ' ' THR . 2.7 mp -71.75 -34.37 69.44 Favored 'General case' 0 CA--C 1.497 -1.062 0 C-N-CA 118.729 -1.188 . . . . 0.0 108.424 174.14 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.99 -34.98 70.58 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.334 -0.848 . . . . 0.0 113.06 179.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 . . . . . 0 C--N 1.323 -0.554 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 -177.607 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 . . . . . 0 N--CA 1.435 -1.185 0 CA-C-O 121.633 0.73 . . . . 0.0 111.853 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.4 p -140.77 129.61 24.98 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.635 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 174.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 22.4 pt -131.76 164.25 35.1 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 CA-C-O 121.171 0.51 . . . . 0.0 110.498 -176.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -136.82 91.59 2.65 Favored 'General case' 0 C--N 1.292 -1.901 0 CA-C-N 114.795 -1.093 . . . . 0.0 108.191 176.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 9.2 mp -125.89 175.6 7.56 Favored 'General case' 0 CA--C 1.485 -1.533 0 CA-C-N 114.359 -1.292 . . . . 0.0 108.95 -176.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' CYS . . . . . 0.453 ' O ' ' HB2' ' B' ' 14' ' ' GLU . 39.3 m -148.48 164.12 35.13 Favored 'General case' 0 C--N 1.293 -1.867 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 -178.61 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 49.95 -127.99 25.1 Favored Glycine 0 C--O 1.239 0.42 0 N-CA-C 115.047 0.779 . . . . 0.0 115.047 174.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 26.0 mmt180 -63.83 -23.94 67.55 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.139 -0.53 . . . . 0.0 111.738 -179.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . 0.453 ' HB2' ' O ' ' B' ' 11' ' ' CYS . 23.4 mm-40 -69.58 -35.58 75.49 Favored 'General case' 0 N--CA 1.436 -1.149 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 -179.385 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 88.9 mt -67.07 -42.19 85.12 Favored 'General case' 0 C--O 1.211 -0.946 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.818 175.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . 0.457 ' O ' HG12 ' B' ' 20' ' ' ILE . 47.0 t -65.73 -42.19 91.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 123.809 0.693 . . . . 0.0 110.234 -178.031 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . 0.464 ' HA ' ' NE ' ' B' ' 17' ' ' ARG . 0.2 OUTLIER -57.03 -52.47 65.14 Favored 'General case' 0 C--O 1.243 0.762 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 178.616 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.79 -45.43 92.34 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 113.951 -1.477 . . . . 0.0 110.938 178.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . 0.461 ' O ' HG22 ' B' ' 22' ' ' ILE . 74.3 mt-30 -57.78 -51.81 68.06 Favored 'General case' 0 C--N 1.318 -0.776 0 C-N-CA 124.033 0.933 . . . . 0.0 112.549 178.432 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . 0.457 HG12 ' O ' ' B' ' 16' ' ' VAL . 48.1 mm -58.35 -46.56 89.14 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.349 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.048 178.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.21 -43.14 95.94 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.187 0.517 . . . . 0.0 110.722 -179.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . 0.587 ' CG1' ' HG3' ' A' ' 17' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--N 1.314 -0.974 0 CA-C-O 121.773 0.797 . . . . 0.0 110.021 -178.428 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.242 0.665 0 CA-C-O 120.823 0.344 . . . . 0.0 110.215 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 35.8 tp -63.53 -44.87 92.97 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.623 176.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.13 -48.69 70.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.511 -178.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -64.85 -40.66 95.51 Favored 'General case' 0 C--O 1.204 -1.337 0 C-N-CA 120.843 -0.343 . . . . 0.0 111.185 177.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.5 tmtm? -61.72 -48.78 79.19 Favored 'General case' 0 C--N 1.307 -1.277 0 C-N-CA 123.005 0.522 . . . . 0.0 110.689 -178.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 34.9 m -71.89 -26.54 62.37 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 122.456 -0.153 . . . . 0.0 111.063 -179.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 45.0 t -79.51 -39.47 31.93 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-O 120.771 0.32 . . . . 0.0 110.473 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -77.24 -53.3 7.89 Favored 'General case' 0 CA--C 1.497 -1.089 0 CA-C-O 120.929 0.395 . . . . 0.0 111.622 -176.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.7 m -117.18 -46.16 3.74 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 CA-C-N 115.39 -0.823 . . . . 0.0 112.492 -177.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 125.35 163.54 11.63 Favored Glycine 0 C--N 1.292 -1.885 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 178.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.8 p -147.12 164.13 34.07 Favored 'General case' 0 C--N 1.294 -1.845 0 N-CA-C 110.043 -0.355 . . . . 0.0 110.043 -177.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.496 ' O ' HD13 ' A' ' 20' ' ' LEU . 8.1 p -74.5 153.02 39.29 Favored 'General case' 0 N--CA 1.396 -3.16 0 CA-C-N 115.619 -0.718 . . . . 0.0 109.689 176.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.587 ' HG3' ' CG1' ' B' ' 22' ' ' ILE . 18.4 tptm -67.37 -29.37 68.89 Favored 'General case' 0 C--N 1.281 -2.405 0 N-CA-C 108.069 -1.086 . . . . 0.0 108.069 -178.335 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -65.61 -26.67 67.93 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.705 172.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.405 ' HB3' ' O ' ' A' ' 16' ' ' THR . 31.8 t -73.9 -39.66 63.71 Favored 'General case' 0 N--CA 1.43 -1.451 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 -179.533 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.496 HD13 ' O ' ' A' ' 16' ' ' THR . 1.6 mp -73.78 -29.3 62.12 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 118.985 -1.086 . . . . 0.0 108.921 175.477 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.97 -34.46 73.32 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 115.229 -0.896 . . . . 0.0 112.675 178.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.8 ptt180 . . . . . 0 CA--C 1.542 0.638 0 CA-C-O 121.094 0.473 . . . . 0.0 112.23 -179.367 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . 0.528 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 15.8 mm-40 . . . . . 0 N--CA 1.437 -1.078 0 CA-C-O 120.621 0.248 . . . . 0.0 110.845 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . 0.433 ' HA ' ' O ' ' A' ' 15' ' ' CYS . 5.5 p -150.89 108.43 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.293 -1.884 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 175.545 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 34.4 pt -133.94 173.17 15.08 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.692 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 -176.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -115.65 139.58 49.99 Favored 'General case' 0 C--N 1.291 -1.948 0 O-C-N 123.809 0.693 . . . . 0.0 109.14 175.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.615 ' CD1' ' HA ' ' B' ' 15' ' ' LEU . 0.3 OUTLIER -155.09 166.0 34.95 Favored 'General case' 0 C--N 1.291 -1.946 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 -179.44 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' CYS . . . . . 0.496 ' CA ' ' HG ' ' B' ' 15' ' ' LEU . 57.5 m -156.1 158.68 38.15 Favored 'General case' 0 C--N 1.284 -2.27 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 -172.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 47.21 -121.64 6.47 Favored Glycine 0 C--O 1.257 1.585 0 O-C-N 124.486 1.116 . . . . 0.0 115.632 176.167 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . 0.583 ' O ' ' HD3' ' B' ' 17' ' ' ARG . 95.6 mtt180 -63.01 -38.32 90.71 Favored 'General case' 0 C--N 1.308 -1.225 0 CA-C-N 113.679 -1.26 . . . . 0.0 109.262 -178.715 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . 0.465 ' O ' HD11 ' B' ' 10' ' ' LEU . 47.7 mt-10 -61.86 -37.43 84.51 Favored 'General case' 0 C--O 1.245 0.854 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.191 179.577 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.615 ' HA ' ' CD1' ' B' ' 10' ' ' LEU . 26.4 mt -61.06 -42.69 98.97 Favored 'General case' 0 C--N 1.36 1.037 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 95.5 t -68.01 -43.72 85.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 114.252 -1.34 . . . . 0.0 110.621 -177.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . 0.583 ' HD3' ' O ' ' B' ' 13' ' ' ARG . 6.8 mpt_? -53.92 -45.21 71.13 Favored 'General case' 0 C--N 1.32 -0.704 0 O-C-N 123.704 0.628 . . . . 0.0 112.114 179.734 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . 0.586 ' O ' HG13 ' B' ' 22' ' ' ILE . . . -74.93 -46.29 36.76 Favored 'General case' 0 C--N 1.307 -1.278 0 C-N-CA 120.382 -0.527 . . . . 0.0 110.577 179.077 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . 0.464 ' HG2' ' HB3' ' A' ' 20' ' ' LEU . 70.0 mt-30 -54.67 -54.56 40.09 Favored 'General case' 0 CA--C 1.517 -0.307 0 O-C-N 123.386 0.429 . . . . 0.0 111.994 -179.059 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 46.3 mm -63.43 -36.17 75.2 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.1 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.128 -179.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.54 -48.6 78.8 Favored 'General case' 0 C--O 1.22 -0.475 0 CA-C-N 116.773 -0.194 . . . . 0.0 110.754 178.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . 0.586 HG13 ' O ' ' B' ' 18' ' ' ALA . 25.0 mt . . . . . 0 N--CA 1.474 0.753 0 CA-C-O 121.787 0.803 . . . . 0.0 109.761 -179.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.466 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 67.0 tp -58.48 -46.4 86.71 Favored 'General case' 0 CA--C 1.517 -0.295 0 O-C-N 123.716 0.635 . . . . 0.0 110.055 178.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.73 -51.88 61.92 Favored 'General case' 0 C--N 1.328 -0.362 0 O-C-N 123.728 0.643 . . . . 0.0 111.42 179.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -67.13 -48.43 68.11 Favored 'General case' 0 CA--C 1.51 -0.574 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -61.15 -44.69 96.93 Favored 'General case' 0 C--N 1.312 -1.044 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 -178.119 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.426 ' HA ' ' CA ' ' A' ' 14' ' ' GLY . 4.5 t -77.65 -16.69 58.37 Favored 'General case' 0 C--N 1.295 -1.791 0 CA-C-O 121.295 0.569 . . . . 0.0 110.124 -176.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.441 ' HA ' ' O ' ' B' ' 10' ' ' LEU . 42.0 t -81.15 -34.67 32.28 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-O 121.497 0.665 . . . . 0.0 110.013 176.305 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -89.23 -62.58 1.45 Allowed 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.914 -179.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 29.2 m -96.95 -51.77 10.08 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 CA-C-O 121.339 0.59 . . . . 0.0 111.338 -177.217 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.426 ' CA ' ' HA ' ' A' ' 10' ' ' CYS . . . 133.13 178.22 15.42 Favored Glycine 0 C--N 1.289 -2.06 0 N-CA-C 110.226 -1.15 . . . . 0.0 110.226 178.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.433 ' O ' ' HA ' ' B' ' 7' ' ' VAL . 29.9 p -159.3 165.82 32.6 Favored 'General case' 0 C--N 1.288 -2.102 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 -176.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.549 ' OG1' ' HB3' ' A' ' 19' ' ' SER . 40.4 p -72.21 145.17 48.18 Favored 'General case' 0 N--CA 1.397 -3.098 0 CA-C-O 122.064 0.935 . . . . 0.0 110.115 177.108 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.528 ' HB2' ' HB3' ' B' ' 6' ' ' GLU . 13.7 tptm -65.24 -30.64 71.55 Favored 'General case' 0 C--N 1.268 -2.965 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 39.1 mtm105 -71.58 -21.01 61.93 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.145 175.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.549 ' HB3' ' OG1' ' A' ' 16' ' ' THR . 23.2 p -74.81 -42.93 57.13 Favored 'General case' 0 N--CA 1.435 -1.194 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 179.513 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.464 ' HB3' ' HG2' ' B' ' 19' ' ' GLN . 11.0 mt -63.31 -40.67 97.98 Favored 'General case' 0 CA--C 1.491 -1.29 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 176.246 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.32 -37.66 67.68 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-N 114.073 -1.421 . . . . 0.0 112.59 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 . . . . . 0 C--O 1.239 0.522 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 -177.524 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . 0.44 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 32.6 mt-10 . . . . . 0 N--CA 1.438 -1.028 0 N-CA-C 114.861 1.43 . . . . 0.0 114.861 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 3.4 p -133.81 107.93 11.01 Favored 'Isoleucine or valine' 0 C--N 1.271 -2.83 0 CA-C-N 112.715 -2.039 . . . . 0.0 105.945 172.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . 0.269 1.5 pp -119.52 171.93 7.2 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.977 0 N-CA-C 115.012 1.486 . . . . 0.0 115.012 -170.707 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 24.3 tptm -124.64 122.35 37.28 Favored 'General case' 0 C--N 1.293 -1.868 0 CA-C-N 113.926 -1.488 . . . . 0.0 107.993 -173.229 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.653 ' CD1' ' HA ' ' B' ' 15' ' ' LEU . 0.1 OUTLIER -167.44 169.9 11.82 Favored 'General case' 0 C--N 1.301 -1.535 0 C-N-CA 122.978 0.511 . . . . 0.0 109.757 -175.521 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' CYS . . . . . 0.428 ' CA ' ' HG ' ' B' ' 15' ' ' LEU . 62.7 m -157.45 163.0 38.96 Favored 'General case' 0 C--N 1.292 -1.932 0 N-CA-C 107.081 -1.452 . . . . 0.0 107.081 -178.309 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 46.53 -124.44 7.98 Favored Glycine 0 C--O 1.246 0.904 0 N-CA-C 115.821 1.088 . . . . 0.0 115.821 175.45 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 22.4 mtp180 -66.11 -29.87 70.27 Favored 'General case' 0 C--N 1.298 -1.639 0 CA-C-N 113.884 -1.158 . . . . 0.0 111.301 -177.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . 0.442 ' O ' HD12 ' B' ' 10' ' ' LEU . 9.3 mm-40 -66.01 -34.95 79.26 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.093 176.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.653 ' HA ' ' CD1' ' B' ' 10' ' ' LEU . 22.0 mt -63.4 -42.57 98.79 Favored 'General case' 0 C--N 1.35 0.593 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 178.433 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 44.1 t -66.82 -40.08 85.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 114.429 -1.26 . . . . 0.0 110.237 -177.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . 0.425 ' HD2' ' OE1' ' B' ' 14' ' ' GLU . 90.7 mtt180 -56.2 -46.1 79.58 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.813 -0.63 . . . . 0.0 112.506 177.219 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . 0.65 ' O ' HG13 ' B' ' 22' ' ' ILE . . . -68.89 -42.92 76.29 Favored 'General case' 0 C--N 1.305 -1.34 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.339 178.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . 0.468 ' HG2' ' HB3' ' A' ' 20' ' ' LEU . 93.0 mt-30 -52.28 -55.86 18.54 Favored 'General case' 0 C--O 1.241 0.614 0 C-N-CA 123.627 0.771 . . . . 0.0 111.243 178.226 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 80.7 mt -57.79 -42.18 81.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.875 178.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.89 -19.29 65.7 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.026 -0.534 . . . . 0.0 112.404 -179.014 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . 0.65 HG13 ' O ' ' B' ' 18' ' ' ALA . 66.8 mt . . . . . 0 C--O 1.206 -1.19 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 178.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.82 0 CA-C-O 119.246 -0.407 . . . . 0.0 111.733 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.605 HD12 ' SG ' ' A' ' 15' ' ' CYS . 55.0 tp -48.68 -56.67 7.88 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 124.093 0.957 . . . . 0.0 112.282 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.56 -45.11 81.42 Favored 'General case' 0 CA--C 1.512 -0.486 0 O-C-N 123.631 0.582 . . . . 0.0 111.02 -177.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -72.23 -36.14 69.04 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.233 -178.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 57.5 tttp -67.81 -52.85 32.27 Favored 'General case' 0 C--N 1.307 -1.26 0 C-N-CA 122.928 0.491 . . . . 0.0 109.873 -176.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.478 ' HB3' HD21 ' B' ' 10' ' ' LEU . 27.7 m -68.04 -21.06 65.03 Favored 'General case' 0 C--N 1.306 -1.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.652 178.661 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 13.3 t -81.45 -34.75 31.25 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-O 120.921 0.391 . . . . 0.0 110.425 179.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 43.2 m-70 -89.83 -56.5 3.21 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -178.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 17.7 m -108.74 -48.25 7.4 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.611 0 N-CA-C 112.678 0.621 . . . . 0.0 112.678 -176.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.471 ' HA2' ' HA ' ' A' ' 10' ' ' CYS . . . 125.87 149.79 7.51 Favored Glycine 0 C--N 1.286 -2.231 0 N-CA-C 109.18 -1.568 . . . . 0.0 109.18 -178.247 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.605 ' SG ' HD12 ' A' ' 6' ' ' LEU 0.271 9.0 p -151.3 164.96 35.47 Favored 'General case' 0 C--N 1.293 -1.886 0 CA-C-N 117.322 0.561 . . . . 0.0 112.409 -177.842 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 35.4 p -62.69 144.58 56.19 Favored 'General case' 0 N--CA 1.418 -2.071 0 N-CA-C 115.071 1.508 . . . . 0.0 115.071 -172.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.44 ' HB2' ' HB3' ' B' ' 6' ' ' GLU . 20.4 tptm -63.57 -31.32 72.45 Favored 'General case' 0 C--N 1.292 -1.912 0 CA-C-N 113.266 -1.788 . . . . 0.0 107.43 177.331 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.1 mmm180 -66.0 -27.23 67.97 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.647 175.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.418 ' HG ' HD11 ' A' ' 6' ' ' LEU . 32.0 t -74.47 -33.59 62.92 Favored 'General case' 0 N--CA 1.425 -1.678 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 -179.321 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.468 ' HB3' ' HG2' ' B' ' 19' ' ' GLN . 2.3 mp -81.21 -30.36 34.28 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 119.66 -0.816 . . . . 0.0 109.486 173.138 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.02 -40.03 72.8 Favored 'General case' 0 N--CA 1.483 1.205 0 CA-C-N 115.243 -0.89 . . . . 0.0 112.279 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.0 ptp180 . . . . . 0 C--N 1.316 -0.888 0 CA-C-N 115.946 -0.57 . . . . 0.0 112.122 -178.658 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . 0.552 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 32.2 tt0 . . . . . 0 N--CA 1.417 -2.11 0 N-CA-C 103.913 -2.625 . . . . 0.0 103.913 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 4.4 p -150.91 121.32 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.275 -2.667 0 O-C-N 123.743 0.652 . . . . 0.0 109.752 -178.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 27.7 pt -138.14 172.62 13.87 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.344 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.531 -178.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -118.29 137.75 52.85 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 179.068 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.621 ' CD1' ' HA ' ' B' ' 15' ' ' LEU . 0.2 OUTLIER -164.2 168.47 18.86 Favored 'General case' 0 C--N 1.306 -1.3 0 C-N-CA 123.683 0.793 . . . . 0.0 109.148 -174.685 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' CYS . . . . . 0.492 ' CA ' ' HG ' ' B' ' 15' ' ' LEU . 60.2 m -158.81 162.14 37.0 Favored 'General case' 0 C--N 1.296 -1.756 0 N-CA-C 107.516 -1.29 . . . . 0.0 107.516 -175.199 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 48.1 -130.16 18.59 Favored Glycine 0 N--CA 1.469 0.87 0 N-CA-C 114.747 0.659 . . . . 0.0 114.747 175.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . 0.541 ' O ' ' HG3' ' B' ' 17' ' ' ARG . 24.3 tpt180 -63.85 -28.34 69.78 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 115.077 -0.562 . . . . 0.0 111.005 179.463 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . 0.486 ' O ' HD13 ' B' ' 10' ' ' LEU . 59.6 mm-40 -63.0 -37.24 86.37 Favored 'General case' 0 CA--C 1.512 -0.481 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 176.383 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.621 ' HA ' ' CD1' ' B' ' 10' ' ' LEU . 27.3 mt -62.04 -42.59 99.34 Favored 'General case' 0 C--N 1.349 0.584 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 178.493 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 31.4 t -70.24 -28.79 36.9 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.911 0 CA-C-N 113.883 -1.508 . . . . 0.0 110.252 -177.186 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . 0.541 ' HG3' ' O ' ' B' ' 13' ' ' ARG . 76.5 mtp180 -62.77 -49.14 76.17 Favored 'General case' 0 N--CA 1.438 -1.07 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.523 177.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . 0.445 ' O ' HG12 ' B' ' 22' ' ' ILE . . . -73.16 -39.46 65.63 Favored 'General case' 0 C--N 1.302 -1.464 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.917 179.099 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . 0.444 ' CG ' ' HB3' ' A' ' 20' ' ' LEU . 48.5 mt-30 -58.18 -60.68 3.38 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 122.955 0.502 . . . . 0.0 112.122 179.498 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 51.7 mt -63.7 -29.87 48.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.698 -0.228 . . . . 0.0 111.27 -179.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.45 -38.13 88.6 Favored 'General case' 0 C--O 1.204 -1.333 0 N-CA-C 109.811 -0.441 . . . . 0.0 109.811 176.391 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . 0.445 HG12 ' O ' ' B' ' 18' ' ' ALA . 38.2 mm . . . . . 0 C--O 1.239 0.508 0 CA-C-O 121.481 0.658 . . . . 0.0 110.149 176.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.203 -1.383 0 CA-C-O 119.743 -0.17 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.483 HD11 ' O ' ' A' ' 19' ' ' SER . 7.2 tt -60.17 -53.45 57.55 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 -179.16 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.09 -43.69 78.3 Favored 'General case' 0 C--O 1.244 0.788 0 CA-C-O 121.381 0.61 . . . . 0.0 110.86 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -69.58 -40.97 76.41 Favored 'General case' 0 C--O 1.206 -1.204 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.082 -179.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -58.24 -47.78 82.46 Favored 'General case' 0 C--N 1.308 -1.197 0 C-N-CA 123.683 0.793 . . . . 0.0 110.225 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 24.0 m -65.61 -30.83 71.6 Favored 'General case' 0 C--N 1.311 -1.088 0 O-C-N 123.654 0.596 . . . . 0.0 110.409 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.9 t -81.91 -34.71 29.78 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-O 121.014 0.435 . . . . 0.0 110.969 -178.241 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 11.3 m170 -77.16 -52.98 8.34 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-O 120.98 0.419 . . . . 0.0 111.609 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 17.5 m -125.74 -48.07 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.538 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.162 -175.249 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 139.74 170.68 12.03 Favored Glycine 0 C--N 1.291 -1.94 0 N-CA-C 109.534 -1.427 . . . . 0.0 109.534 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.5 p -149.86 164.75 34.52 Favored 'General case' 0 C--N 1.292 -1.902 0 CA-C-N 117.249 0.525 . . . . 0.0 109.827 -177.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.498 ' O ' ' HB3' ' A' ' 19' ' ' SER . 63.2 p -80.66 149.62 29.73 Favored 'General case' 0 N--CA 1.406 -2.641 0 CA-C-O 121.23 0.538 . . . . 0.0 110.073 179.569 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.552 ' HB2' ' HB3' ' B' ' 6' ' ' GLU . 12.7 tptm -63.53 -29.32 70.6 Favored 'General case' 0 C--N 1.288 -2.105 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.275 -176.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.524 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 26.4 ptt180 -62.15 -36.37 81.62 Favored 'General case' 0 N--CA 1.487 1.4 0 CA-C-O 121.898 0.856 . . . . 0.0 110.661 173.754 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.498 ' HB3' ' O ' ' A' ' 16' ' ' THR . 27.6 t -63.29 -54.18 41.2 Favored 'General case' 0 C--N 1.28 -2.432 0 CA-C-N 114.158 -1.383 . . . . 0.0 109.12 -179.132 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.481 HD11 ' O ' ' A' ' 16' ' ' THR . 0.6 OUTLIER -70.11 -20.68 63.17 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 119.626 -0.83 . . . . 0.0 110.151 178.816 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.1 -35.07 79.57 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.452 0.644 . . . . 0.0 110.382 177.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.524 ' HG3' ' O ' ' A' ' 18' ' ' ARG . 95.4 mtt180 . . . . . 0 CA--C 1.502 -0.883 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.019 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . 0.424 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 35.8 mm-40 . . . . . 0 N--CA 1.425 -1.701 0 CA-C-O 121.756 0.789 . . . . 0.0 111.405 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . 0.431 ' HA ' ' HA ' ' A' ' 16' ' ' THR . 5.9 p -145.46 133.13 15.94 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.75 0 CA-C-N 114.041 -1.436 . . . . 0.0 107.852 178.548 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -141.61 159.22 21.69 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.582 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 -179.189 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -123.82 79.22 1.69 Allowed 'General case' 0 C--N 1.287 -2.142 0 CA-C-O 122.163 0.982 . . . . 0.0 110.314 176.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 8.7 mp -107.0 174.16 6.01 Favored 'General case' 0 CA--C 1.483 -1.617 0 CA-C-N 114.29 -1.323 . . . . 0.0 109.721 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 48.6 t -153.98 160.27 41.99 Favored 'General case' 0 C--N 1.28 -2.434 0 C-N-CA 120.342 -0.543 . . . . 0.0 109.898 -174.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 50.94 -121.95 12.54 Favored Glycine 0 C--N 1.302 -1.312 0 O-C-N 124.925 1.391 . . . . 0.0 114.206 179.07 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 80.1 mtm180 -63.8 -39.96 95.49 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-N 114.336 -0.932 . . . . 0.0 111.229 -177.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -66.69 -34.11 77.14 Favored 'General case' 0 CA--C 1.498 -1.022 0 CA-C-O 121.943 0.877 . . . . 0.0 109.599 -176.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.477 ' CD2' ' HA ' ' A' ' 7' ' ' ALA . 20.2 tp -68.17 -39.86 82.43 Favored 'General case' 0 C--N 1.295 -1.799 0 CA-C-N 114.579 -1.192 . . . . 0.0 109.693 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 86.9 t -66.93 -37.98 80.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 175.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 48.4 mtp85 -59.68 -44.28 93.67 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.076 177.217 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.18 -34.99 79.7 Favored 'General case' 0 C--N 1.32 -0.704 0 O-C-N 123.813 0.696 . . . . 0.0 110.531 178.008 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . 0.457 ' O ' HG21 ' B' ' 22' ' ' ILE . 49.3 mt-30 -64.87 -52.14 58.17 Favored 'General case' 0 C--N 1.314 -0.967 0 C-N-CA 123.512 0.725 . . . . 0.0 110.851 176.049 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 70.2 mt -60.92 -33.85 57.26 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.244 0 CA-C-O 121.4 0.619 . . . . 0.0 109.597 175.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.69 -34.46 76.95 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.649 177.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . 0.457 HG21 ' O ' ' B' ' 19' ' ' GLN . 0.2 OUTLIER . . . . . 0 C--O 1.205 -1.248 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 179.573 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.914 0 CA-C-O 119.801 -0.142 . . . . 0.0 111.325 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 49.3 tp -63.38 -51.88 64.01 Favored 'General case' 0 CA--C 1.519 -0.238 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 178.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.477 ' HA ' ' CD2' ' B' ' 15' ' ' LEU . . . -54.07 -49.24 69.48 Favored 'General case' 0 CA--C 1.507 -0.684 0 O-C-N 123.9 0.75 . . . . 0.0 110.883 -178.813 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -61.07 -42.3 98.23 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.997 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -66.89 -48.55 68.39 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.411 -174.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 12.2 m -70.71 -33.4 70.83 Favored 'General case' 0 C--N 1.296 -1.725 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 -179.054 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.5 t -68.61 -33.62 74.36 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 116.145 -0.479 . . . . 0.0 109.72 -178.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -95.16 -61.7 1.43 Allowed 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -179.207 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.8 m -100.13 -50.47 10.57 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.226 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -175.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 131.16 161.39 10.23 Favored Glycine 0 N--CA 1.427 -1.928 0 N-CA-C 110.544 -1.022 . . . . 0.0 110.544 -179.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.0 p -142.45 158.95 43.14 Favored 'General case' 0 C--N 1.281 -2.38 0 CA-C-O 121.116 0.484 . . . . 0.0 109.782 -179.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.575 ' O ' HD13 ' A' ' 20' ' ' LEU . 23.3 p -80.12 150.34 30.28 Favored 'General case' 0 N--CA 1.387 -3.588 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.399 178.817 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.424 ' HB2' ' HB3' ' B' ' 6' ' ' GLU . 2.7 tppp? -60.59 -33.24 72.44 Favored 'General case' 0 C--N 1.297 -1.697 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 179.302 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 40.1 mtm105 -62.68 -31.38 72.26 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 114.204 -1.362 . . . . 0.0 109.86 176.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 45.6 t -73.96 -46.17 45.64 Favored 'General case' 0 N--CA 1.428 -1.563 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.433 -179.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.575 HD13 ' O ' ' A' ' 16' ' ' THR . 1.4 mp -67.4 -30.01 69.67 Favored 'General case' 0 CA--C 1.489 -1.371 0 C-N-CA 118.995 -1.082 . . . . 0.0 108.688 178.128 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.65 -41.9 91.58 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 123.96 0.787 . . . . 0.0 112.147 178.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 24.5 ptt85 . . . . . 0 C--N 1.327 -0.396 0 C-N-CA 120.138 -0.625 . . . . 0.0 111.83 -178.544 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . 0.5 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 21.0 tt0 . . . . . 0 N--CA 1.419 -2.014 0 N-CA-C 104.131 -2.544 . . . . 0.0 104.131 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 4.2 p -141.83 128.77 20.09 Favored 'Isoleucine or valine' 0 C--N 1.262 -3.198 0 CA-C-O 121.729 0.776 . . . . 0.0 109.846 -176.115 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . 0.437 ' HB ' HD12 ' B' ' 10' ' ' LEU . 27.8 pt -122.73 167.16 16.63 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.236 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.619 -178.066 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -135.52 76.65 1.63 Allowed 'General case' 0 C--N 1.278 -2.51 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 177.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.437 HD12 ' HB ' ' B' ' 8' ' ' ILE . 9.6 mp -115.33 175.67 5.41 Favored 'General case' 0 CA--C 1.481 -1.693 0 CA-C-N 114.165 -1.379 . . . . 0.0 109.384 -179.251 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 59.3 m -151.77 168.03 26.35 Favored 'General case' 0 C--N 1.284 -2.261 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 -175.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 43.68 -123.01 4.29 Favored Glycine 0 C--O 1.246 0.866 0 O-C-N 124.877 1.36 . . . . 0.0 116.214 171.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . 0.527 ' O ' ' HG3' ' B' ' 17' ' ' ARG . 30.6 mmm180 -70.5 -32.26 69.68 Favored 'General case' 0 C--N 1.298 -1.644 0 CA-C-N 114.181 -1.009 . . . . 0.0 112.063 -177.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . 0.404 ' O ' HD22 ' B' ' 10' ' ' LEU . 46.1 mm-40 -64.67 -34.39 78.18 Favored 'General case' 0 CA--C 1.503 -0.836 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 178.48 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.535 ' O ' ' HG3' ' B' ' 19' ' ' GLN . 11.0 tp -66.9 -41.62 86.83 Favored 'General case' 0 N--CA 1.431 -1.389 0 CA-C-N 114.756 -1.111 . . . . 0.0 108.728 -178.416 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 54.0 t -67.79 -38.24 79.88 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.421 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.421 178.152 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . 0.527 ' HG3' ' O ' ' B' ' 13' ' ' ARG . 81.3 mtp180 -57.57 -42.35 82.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.214 0.53 . . . . 0.0 110.61 176.823 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . 0.511 ' O ' HG13 ' B' ' 22' ' ' ILE . . . -70.78 -41.26 71.94 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.09 179.438 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . 0.535 ' HG3' ' O ' ' B' ' 15' ' ' LEU . 37.1 mt-30 -56.92 -56.11 25.83 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.801 176.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 78.4 mt -55.93 -35.02 39.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.318 -0.856 . . . . 0.0 111.219 179.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.0 -33.22 75.53 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.059 0.457 . . . . 0.0 110.451 177.143 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . 0.511 HG13 ' O ' ' B' ' 18' ' ' ALA . 53.6 mt . . . . . 0 C--N 1.324 -0.518 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 177.115 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.559 0 CA-C-O 120.253 0.073 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 53.0 tp -61.17 -45.92 92.63 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 177.29 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.458 ' HA ' ' CD2' ' B' ' 15' ' ' LEU . . . -57.48 -45.46 84.81 Favored 'General case' 0 C--O 1.24 0.578 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.553 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 19.6 m120 -64.38 -48.93 73.57 Favored 'General case' 0 CA--C 1.507 -0.688 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.091 177.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -59.31 -52.65 64.73 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.712 -173.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 41.7 m -65.39 -30.71 71.55 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-O 120.593 0.235 . . . . 0.0 110.822 -179.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.6 t -79.84 -31.3 40.51 Favored 'General case' 0 N--CA 1.427 -1.598 0 C-N-CA 120.244 -0.582 . . . . 0.0 111.356 -177.067 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 20.5 m-70 -85.97 -51.76 6.15 Favored 'General case' 0 CA--C 1.508 -0.65 0 CA-C-O 121.149 0.499 . . . . 0.0 112.033 -179.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.8 m -116.32 -44.99 3.79 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.658 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.893 -176.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 127.41 173.84 13.6 Favored Glycine 0 C--N 1.291 -1.965 0 N-CA-C 110.09 -1.204 . . . . 0.0 110.09 178.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.2 p -151.72 160.94 43.41 Favored 'General case' 0 C--N 1.286 -2.196 0 CA-C-N 116.972 0.386 . . . . 0.0 110.292 -178.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.455 ' O ' ' HB3' ' A' ' 19' ' ' SER . 30.2 p -81.44 157.93 24.75 Favored 'General case' 0 N--CA 1.398 -3.031 0 CA-C-O 121.536 0.684 . . . . 0.0 109.472 178.216 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.5 ' HB2' ' HB3' ' B' ' 6' ' ' GLU . 9.7 tptm -65.53 -28.98 69.56 Favored 'General case' 0 C--N 1.271 -2.805 0 N-CA-C 108.482 -0.932 . . . . 0.0 108.482 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 54.3 mtm180 -61.69 -30.94 71.07 Favored 'General case' 0 N--CA 1.488 1.469 0 CA-C-O 121.278 0.561 . . . . 0.0 111.096 170.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.455 ' HB3' ' O ' ' A' ' 16' ' ' THR . 29.6 t -69.71 -40.93 75.98 Favored 'General case' 0 N--CA 1.426 -1.636 0 CA-C-N 115.393 -0.821 . . . . 0.0 108.796 -177.229 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.436 ' HB3' ' HG2' ' B' ' 19' ' ' GLN . 1.5 mp -77.48 -35.14 53.97 Favored 'General case' 0 C--O 1.199 -1.594 0 C-N-CA 118.781 -1.167 . . . . 0.0 109.289 174.609 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.07 -32.19 67.79 Favored 'General case' 0 N--CA 1.485 1.291 0 N-CA-C 113.245 0.832 . . . . 0.0 113.245 -176.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 18.0 ptp180 . . . . . 0 C--N 1.317 -0.816 0 CA-C-O 121.095 0.474 . . . . 0.0 111.507 179.171 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . 0.505 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 23.8 tt0 . . . . . 0 CA--C 1.503 -0.864 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 9.7 p -142.84 138.97 27.97 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.221 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -178.227 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -141.19 169.11 15.17 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.201 0 N-CA-C 108.525 -0.916 . . . . 0.0 108.525 -179.014 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -125.93 86.06 2.48 Favored 'General case' 0 C--N 1.308 -1.233 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 177.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 8.8 mp -120.01 173.06 7.3 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.016 -177.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 16.7 m -149.85 160.57 43.47 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 -179.102 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 45.43 -120.66 4.29 Favored Glycine 0 CA--C 1.505 -0.557 0 N-CA-C 116.15 1.22 . . . . 0.0 116.15 172.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -58.23 -35.08 71.16 Favored 'General case' 0 C--N 1.31 -1.111 0 C-N-CA 124.712 1.205 . . . . 0.0 111.204 -178.22 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -68.23 -36.62 79.78 Favored 'General case' 0 N--CA 1.44 -0.958 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 -179.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 96.3 mt -62.53 -41.3 98.78 Favored 'General case' 0 C--O 1.215 -0.72 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.856 176.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 59.0 t -66.39 -43.41 91.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 179.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 82.9 mtt180 -57.01 -43.44 81.79 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.632 176.183 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . 0.566 ' O ' HG13 ' B' ' 22' ' ' ILE . . . -67.01 -46.23 75.13 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.605 178.516 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -56.42 -55.79 29.27 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 124.222 1.009 . . . . 0.0 111.259 177.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 47.1 mm -59.46 -34.42 54.49 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.036 178.296 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.95 -39.13 93.72 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-O 120.929 0.395 . . . . 0.0 110.261 177.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . 0.566 HG13 ' O ' ' B' ' 18' ' ' ALA . 68.1 mt . . . . . 0 C--O 1.211 -0.945 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.828 179.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.405 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.7 tp -57.68 -47.33 82.63 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.067 176.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.02 -53.3 59.8 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.5 -179.411 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -63.89 -43.97 94.41 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.315 -179.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -56.75 -50.22 72.89 Favored 'General case' 0 CA--C 1.488 -1.44 0 O-C-N 123.15 0.281 . . . . 0.0 111.532 178.16 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.474 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 4.2 t -68.62 -31.15 70.1 Favored 'General case' 0 C--N 1.296 -1.757 0 O-C-N 123.547 0.529 . . . . 0.0 110.269 -175.394 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 8.5 t -77.21 -32.6 56.04 Favored 'General case' 0 N--CA 1.424 -1.748 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.231 -177.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 35.9 m-70 -91.24 -53.75 4.22 Favored 'General case' 0 CA--C 1.515 -0.404 0 N-CA-C 113.175 0.805 . . . . 0.0 113.175 -178.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.9 m -111.4 -45.51 5.72 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.617 0 CA-C-O 121.507 0.67 . . . . 0.0 111.866 -176.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.474 ' C ' ' HA ' ' A' ' 10' ' ' CYS . . . 139.26 164.73 10.0 Favored Glycine 0 C--N 1.284 -2.334 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.686 177.544 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.505 ' SG ' HD11 ' A' ' 20' ' ' LEU . 28.9 p -134.15 163.19 30.15 Favored 'General case' 0 C--N 1.29 -1.982 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 -179.384 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.502 ' O ' HD13 ' A' ' 20' ' ' LEU . 12.4 p -97.83 145.28 26.56 Favored 'General case' 0 N--CA 1.409 -2.479 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.656 179.691 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.505 ' HB2' ' HB3' ' B' ' 6' ' ' GLU . 1.2 tptm -59.26 -35.85 74.45 Favored 'General case' 0 C--N 1.297 -1.694 0 CA-C-N 115.578 -0.737 . . . . 0.0 112.083 -175.516 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 43.8 mtp180 -67.43 -26.51 66.45 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 121.485 0.66 . . . . 0.0 110.054 176.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.2 t -73.87 -33.44 64.06 Favored 'General case' 0 N--CA 1.424 -1.748 0 CA-C-N 115.569 -0.742 . . . . 0.0 109.373 -177.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.505 HD11 ' SG ' ' A' ' 15' ' ' CYS . 1.5 mp -79.3 -31.02 43.14 Favored 'General case' 0 CA--C 1.504 -0.806 0 C-N-CA 118.392 -1.323 . . . . 0.0 108.517 173.573 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.68 -36.63 76.86 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.243 -0.889 . . . . 0.0 112.612 -179.007 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 35.3 ptt180 . . . . . 0 C--N 1.315 -0.91 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -179.686 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 . . . . . 0 CA--C 1.484 -1.59 0 N-CA-C 104.404 -2.443 . . . . 0.0 104.404 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 5.9 p -144.43 139.38 23.96 Favored 'Isoleucine or valine' 0 C--N 1.26 -3.302 0 O-C-N 123.806 0.692 . . . . 0.0 109.651 -173.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 31.0 pt -134.21 169.65 21.24 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.144 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 -179.267 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -140.16 70.61 1.36 Allowed 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 107.721 -1.214 . . . . 0.0 107.721 176.417 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.484 ' O ' HD12 ' B' ' 15' ' ' LEU . 9.4 mp -107.4 176.02 5.3 Favored 'General case' 0 C--N 1.293 -1.851 0 CA-C-N 114.628 -1.169 . . . . 0.0 109.562 179.594 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 83.4 m -154.49 166.27 33.81 Favored 'General case' 0 C--N 1.286 -2.152 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 -176.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 53.16 -128.89 38.92 Favored Glycine 0 CA--C 1.495 -1.186 0 O-C-N 124.227 0.955 . . . . 0.0 114.299 174.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . 0.61 ' O ' ' HG3' ' B' ' 17' ' ' ARG . 41.0 mmt180 -71.41 -28.0 63.7 Favored 'General case' 0 C--N 1.3 -1.564 0 CA-C-N 114.685 -0.758 . . . . 0.0 111.499 -177.457 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -75.23 -28.71 60.0 Favored 'General case' 0 CA--C 1.498 -1.057 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 -178.477 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.484 HD12 ' O ' ' B' ' 10' ' ' LEU . 18.1 tp -67.12 -41.13 86.73 Favored 'General case' 0 N--CA 1.431 -1.415 0 CA-C-N 114.965 -1.016 . . . . 0.0 108.269 177.606 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . 0.461 ' O ' HG13 ' B' ' 20' ' ' ILE . 44.7 t -68.9 -36.66 75.13 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.989 0 CA-C-N 115.048 -0.978 . . . . 0.0 109.693 178.753 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . 0.61 ' HG3' ' O ' ' B' ' 13' ' ' ARG . 91.1 mtt-85 -55.57 -46.26 77.23 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-O 121.253 0.549 . . . . 0.0 110.837 176.449 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.82 -39.91 79.77 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.59 178.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . 0.452 ' HG2' ' HB3' ' A' ' 20' ' ' LEU . 42.5 mt-30 -59.71 -55.25 36.69 Favored 'General case' 0 C--O 1.206 -1.197 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.32 177.244 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . 0.461 HG13 ' O ' ' B' ' 16' ' ' VAL . 81.0 mt -50.97 -44.36 27.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 123.833 0.853 . . . . 0.0 110.689 179.635 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.25 -44.38 95.3 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.818 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.547 0.858 0 CA-C-O 122.106 0.955 . . . . 0.0 109.957 -178.188 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 -0.23 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 50.0 tp -57.51 -50.34 73.38 Favored 'General case' 0 CA--C 1.528 0.104 0 CA-C-N 115.595 -0.729 . . . . 0.0 109.749 177.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.71 -48.06 75.8 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.351 179.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -58.63 -43.43 89.71 Favored 'General case' 0 C--O 1.215 -0.756 0 CA-C-N 114.893 -1.049 . . . . 0.0 111.147 178.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.8 mmtm -65.82 -52.33 51.53 Favored 'General case' 0 C--N 1.313 -1.021 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 179.103 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 34.1 m -64.85 -35.66 81.85 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 123.198 0.311 . . . . 0.0 111.289 -177.182 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.5 t -78.86 -30.14 44.94 Favored 'General case' 0 N--CA 1.432 -1.351 0 C-N-CA 120.335 -0.546 . . . . 0.0 110.472 -176.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 15.3 m170 -81.83 -56.94 3.66 Favored 'General case' 0 CA--C 1.503 -0.856 0 C-N-CA 120.455 -0.498 . . . . 0.0 111.809 179.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.3 m -118.59 -42.07 2.49 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.511 0 CA-C-O 121.711 0.767 . . . . 0.0 111.981 -174.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 133.08 176.37 14.37 Favored Glycine 0 N--CA 1.416 -2.692 0 N-CA-C 109.912 -1.275 . . . . 0.0 109.912 178.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.3 p -153.58 160.98 42.6 Favored 'General case' 0 C--N 1.284 -2.254 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 -179.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.43 ' O ' HD23 ' A' ' 20' ' ' LEU . 45.1 p -80.91 156.87 25.82 Favored 'General case' 0 N--CA 1.399 -3.022 0 CA-C-O 121.953 0.882 . . . . 0.0 109.932 178.217 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -66.1 -32.02 73.23 Favored 'General case' 0 C--N 1.272 -2.789 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.178 179.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 47.3 mtm105 -70.6 -20.59 62.75 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.701 172.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.1 t -72.92 -38.27 66.91 Favored 'General case' 0 N--CA 1.439 -1.002 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.452 ' HB3' ' HG2' ' B' ' 19' ' ' GLN . 0.7 OUTLIER -72.04 -44.17 63.78 Favored 'General case' 0 CA--C 1.489 -1.376 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 173.396 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.97 -33.97 40.26 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 114.285 1.217 . . . . 0.0 114.285 -177.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.4 ptt180 . . . . . 0 N--CA 1.469 0.515 0 N-CA-C 112.419 0.525 . . . . 0.0 112.419 -178.656 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . 0.476 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 6.4 tp10 . . . . . 0 N--CA 1.432 -1.368 0 N-CA-C 106.924 -1.51 . . . . 0.0 106.924 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.4 p -151.58 132.95 4.92 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.643 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.136 -178.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -135.65 161.61 38.45 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.525 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 179.715 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 14.7 ptmm? -122.22 83.36 2.09 Favored 'General case' 0 C--N 1.31 -1.152 0 CA-C-O 122.3 1.048 . . . . 0.0 111.279 177.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 8.6 mp -107.8 175.56 5.44 Favored 'General case' 0 C--N 1.296 -1.754 0 CA-C-N 114.741 -1.118 . . . . 0.0 110.059 -178.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 29.1 m -147.37 164.58 32.85 Favored 'General case' 0 C--N 1.293 -1.856 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 -179.099 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 48.0 -125.66 12.66 Favored Glycine 0 C--O 1.259 1.678 0 N-CA-C 116.084 1.193 . . . . 0.0 116.084 173.308 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 21.9 mmt180 -71.71 -18.96 62.12 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-N 114.123 -1.038 . . . . 0.0 112.74 -177.178 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -70.68 -34.62 72.17 Favored 'General case' 0 N--CA 1.444 -0.771 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 176.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 80.9 mt -63.94 -41.86 97.5 Favored 'General case' 0 CA--C 1.503 -0.843 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.977 175.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 49.0 t -66.56 -44.26 90.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 179.264 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -58.68 -38.86 79.13 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.188 177.263 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . 0.625 ' O ' HG13 ' B' ' 22' ' ' ILE . . . -66.2 -55.15 17.66 Favored 'General case' 0 C--N 1.307 -1.27 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.622 176.194 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . 0.47 ' CG ' ' HB3' ' A' ' 20' ' ' LEU . 56.4 mt-30 -50.05 -56.27 11.46 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.065 1.346 . . . . 0.0 112.621 -179.625 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 51.8 mm -61.07 -39.05 80.99 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.013 -179.27 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.34 -29.73 67.61 Favored 'General case' 0 C--O 1.22 -0.483 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.157 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . 0.625 HG13 ' O ' ' B' ' 18' ' ' ALA . 79.3 mt . . . . . 0 CA--C 1.51 -0.578 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 177.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.604 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 65.8 tp -61.84 -40.3 94.84 Favored 'General case' 0 CA--C 1.518 -0.261 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 176.446 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.42 -52.26 66.09 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 115.188 -0.914 . . . . 0.0 110.983 178.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -60.04 -49.06 79.15 Favored 'General case' 0 C--O 1.218 -0.586 0 O-C-N 123.322 0.389 . . . . 0.0 110.931 179.512 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 44.8 tttp -60.01 -44.96 94.22 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.29 -177.009 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.54 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 10.0 t -71.36 -32.77 68.9 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.196 -178.764 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.7 t -74.67 -30.53 61.62 Favored 'General case' 0 N--CA 1.427 -1.576 0 CA-C-N 116.3 -0.409 . . . . 0.0 109.979 -178.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 21.5 m-70 -83.28 -57.97 3.04 Favored 'General case' 0 CA--C 1.514 -0.417 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 178.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.0 m -112.32 -51.75 5.67 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.434 0 CA-C-O 121.337 0.589 . . . . 0.0 111.561 -176.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.54 ' C ' ' HA ' ' A' ' 10' ' ' CYS . . . 150.54 174.28 21.48 Favored Glycine 0 N--CA 1.418 -2.513 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 178.397 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.484 ' SG ' HD12 ' A' ' 20' ' ' LEU . 14.2 p -137.37 150.99 48.1 Favored 'General case' 0 C--N 1.283 -2.324 0 CA-C-O 120.895 0.378 . . . . 0.0 110.432 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.592 ' O ' HD11 ' A' ' 20' ' ' LEU . 19.4 p -85.8 144.27 27.83 Favored 'General case' 0 N--CA 1.402 -2.834 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.36 179.665 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.476 ' HB2' ' HB3' ' B' ' 6' ' ' GLU . 39.5 tptt -61.02 -37.84 83.99 Favored 'General case' 0 C--N 1.289 -2.053 0 C-N-CA 123.622 0.769 . . . . 0.0 110.539 -173.487 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 71.7 mtp180 -68.83 -23.54 64.27 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.021 0.439 . . . . 0.0 110.969 177.196 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.0 t -75.04 -43.15 55.21 Favored 'General case' 0 N--CA 1.426 -1.647 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 178.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.592 HD11 ' O ' ' A' ' 16' ' ' THR . 1.6 mp -70.54 -28.29 64.81 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 118.907 -1.117 . . . . 0.0 109.109 176.547 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.75 -38.81 92.5 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.548 176.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.9 tpm_? . . . . . 0 C--N 1.311 -1.085 0 CA-C-N 114.876 -1.056 . . . . 0.0 110.276 178.561 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 . . . . . 0 N--CA 1.414 -2.272 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.6 p -131.62 138.58 52.61 Favored 'Isoleucine or valine' 0 C--N 1.26 -3.315 0 CA-C-N 114.596 -1.183 . . . . 0.0 107.89 178.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 32.2 pt -137.3 172.43 14.78 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 -178.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -137.13 82.24 1.92 Allowed 'General case' 0 C--N 1.298 -1.66 0 CA-C-O 121.911 0.862 . . . . 0.0 109.163 176.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.436 HD21 ' HB3' ' B' ' 14' ' ' GLU . 9.2 mp -119.24 175.68 5.68 Favored 'General case' 0 C--N 1.305 -1.351 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.931 -178.255 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 35.1 m -147.52 162.51 38.92 Favored 'General case' 0 C--N 1.3 -1.584 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.078 -178.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 47.46 -121.13 6.28 Favored Glycine 0 C--O 1.244 0.781 0 N-CA-C 115.791 1.076 . . . . 0.0 115.791 172.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . 0.511 ' O ' ' HG2' ' B' ' 17' ' ' ARG . 31.5 ttm180 -66.87 -28.94 68.74 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-N 114.014 -1.093 . . . . 0.0 111.576 -176.752 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . 0.436 ' HB3' HD21 ' B' ' 10' ' ' LEU . 7.8 mp0 -71.26 -31.36 67.42 Favored 'General case' 0 CA--C 1.519 -0.242 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 179.588 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 98.2 mt -64.34 -41.1 96.95 Favored 'General case' 0 CA--C 1.502 -0.882 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 174.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . 0.497 ' O ' HG12 ' B' ' 20' ' ' ILE . 45.1 t -64.99 -41.81 93.09 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.775 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.306 178.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . 0.511 ' HG2' ' O ' ' B' ' 13' ' ' ARG . 38.9 mmt180 -53.36 -54.16 40.64 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.449 176.313 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.36 -37.62 84.03 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.695 -179.312 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . 0.654 ' O ' HG22 ' B' ' 22' ' ' ILE . 53.1 mt-30 -66.68 -52.19 47.55 Favored 'General case' 0 C--N 1.313 -1.006 0 C-N-CA 123.964 0.906 . . . . 0.0 111.556 177.569 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . 0.497 HG12 ' O ' ' B' ' 16' ' ' VAL . 46.2 mm -64.27 -37.97 81.29 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.744 0 CA-C-O 121.02 0.438 . . . . 0.0 110.08 179.205 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.76 -33.4 70.75 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.14 179.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . 0.654 HG22 ' O ' ' B' ' 19' ' ' GLN . 7.7 tt . . . . . 0 C--O 1.224 -0.276 0 CA-C-O 121.166 0.508 . . . . 0.0 109.667 -178.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.212 -0.911 0 CA-C-O 119.971 -0.062 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.455 HD23 HD23 ' A' ' 20' ' ' LEU . 68.3 tp -53.24 -43.26 67.19 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.114 0.565 . . . . 0.0 111.235 179.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.03 -43.64 91.71 Favored 'General case' 0 C--O 1.248 1.004 0 CA-C-O 121.299 0.571 . . . . 0.0 110.952 -178.057 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 65.2 m-20 -73.57 -43.44 59.81 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.197 -178.237 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 41.2 tptt -62.18 -42.26 99.11 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.056 -175.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.538 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 7.2 t -68.71 -35.49 77.22 Favored 'General case' 0 C--N 1.312 -1.033 0 O-C-N 123.537 0.523 . . . . 0.0 110.081 -179.446 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.0 t -74.46 -31.12 62.13 Favored 'General case' 0 N--CA 1.433 -1.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.351 -177.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -83.21 -56.77 3.59 Favored 'General case' 0 CA--C 1.513 -0.451 0 N-CA-C 112.038 0.385 . . . . 0.0 112.038 178.501 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 26.1 m -115.66 -49.21 4.71 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 CA-C-O 121.166 0.508 . . . . 0.0 112.204 -175.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.538 ' C ' ' HA ' ' A' ' 10' ' ' CYS . . . 149.47 172.31 18.92 Favored Glycine 0 C--N 1.289 -2.073 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 177.274 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.59 ' SG ' HD22 ' A' ' 20' ' ' LEU . 26.3 p -142.18 163.12 33.73 Favored 'General case' 0 C--N 1.291 -1.966 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 -177.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.3 p -99.57 152.12 20.39 Favored 'General case' 0 N--CA 1.406 -2.648 0 CA-C-O 121.609 0.719 . . . . 0.0 111.226 179.437 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -64.06 -41.07 97.49 Favored 'General case' 0 C--N 1.295 -1.763 0 CA-C-N 114.973 -1.012 . . . . 0.0 109.208 -177.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -55.63 -35.49 65.96 Favored 'General case' 0 N--CA 1.489 1.507 0 CA-C-O 122.265 1.031 . . . . 0.0 111.891 173.16 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.451 ' O ' ' HG2' ' A' ' 22' ' ' ARG . 12.4 t -73.78 -36.62 65.08 Favored 'General case' 0 C--N 1.276 -2.626 0 CA-C-N 114.258 -1.337 . . . . 0.0 110.296 -177.196 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.59 HD22 ' SG ' ' A' ' 15' ' ' CYS . 6.1 mt -75.99 -28.03 57.66 Favored 'General case' 0 CA--C 1.499 -0.988 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 176.135 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.14 -41.19 83.17 Favored 'General case' 0 C--N 1.32 -0.681 0 O-C-N 123.871 0.732 . . . . 0.0 111.061 178.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.451 ' HG2' ' O ' ' A' ' 19' ' ' SER . 12.5 ptm180 . . . . . 0 CA--C 1.542 0.642 0 CA-C-O 121.231 0.539 . . . . 0.0 112.081 -178.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 . . . . . 0 N--CA 1.404 -2.733 0 N-CA-C 106.445 -1.687 . . . . 0.0 106.445 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . 0.422 ' HA ' ' O ' ' A' ' 15' ' ' CYS . 7.2 p -141.15 119.52 9.84 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.654 0 O-C-N 124.455 1.097 . . . . 0.0 108.704 -178.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 17.4 pt -126.19 172.43 13.53 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.169 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.256 -175.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -133.68 91.85 2.9 Favored 'General case' 0 C--N 1.29 -2.019 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 10.8 mp -124.13 175.12 7.21 Favored 'General case' 0 C--N 1.302 -1.479 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.123 -177.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 40.5 m -145.5 157.56 43.98 Favored 'General case' 0 C--N 1.298 -1.642 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.366 -179.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 45.99 -115.98 1.95 Allowed Glycine 0 CA--C 1.502 -0.774 0 N-CA-C 116.418 1.327 . . . . 0.0 116.418 174.063 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 48.0 mtp180 -68.72 -27.57 66.05 Favored 'General case' 0 C--N 1.285 -2.206 0 CA-C-N 113.656 -1.272 . . . . 0.0 111.539 -177.002 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -70.19 -33.64 71.97 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 176.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 86.3 mt -61.88 -41.03 97.39 Favored 'General case' 0 CA--C 1.504 -0.806 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 175.467 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . 0.408 ' O ' HG12 ' B' ' 20' ' ' ILE . 43.8 t -65.05 -41.12 91.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.316 177.64 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -58.72 -43.0 90.01 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.462 176.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.99 -36.11 79.45 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-O 121.219 0.533 . . . . 0.0 110.613 178.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . 0.648 ' O ' HG21 ' B' ' 22' ' ' ILE . 92.9 mt-30 -64.17 -53.18 53.52 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.192 175.684 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . 0.408 HG12 ' O ' ' B' ' 16' ' ' VAL . 45.3 mm -55.6 -39.27 53.67 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.276 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.908 175.181 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.74 -32.24 73.33 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.658 -0.701 . . . . 0.0 112.196 179.413 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . 0.648 HG21 ' O ' ' B' ' 19' ' ' GLN . 0.2 OUTLIER . . . . . 0 C--N 1.317 -0.806 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 -177.56 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.516 0 N-CA-C 110.654 -0.128 . . . . 0.0 110.654 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 41.5 tp -57.36 -46.21 83.59 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 123.82 0.848 . . . . 0.0 110.672 177.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.77 -51.14 71.03 Favored 'General case' 0 C--O 1.238 0.473 0 O-C-N 123.608 0.567 . . . . 0.0 110.353 -179.423 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -59.76 -45.75 91.3 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.457 178.595 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -61.56 -47.37 85.85 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.435 -177.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.486 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 7.6 t -67.92 -32.77 73.47 Favored 'General case' 0 C--N 1.3 -1.549 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.36 -175.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.4 t -75.73 -37.03 59.75 Favored 'General case' 0 N--CA 1.429 -1.486 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.31 -179.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 10.4 m170 -77.92 -52.62 8.56 Favored 'General case' 0 CA--C 1.507 -0.691 0 CA-C-O 121.052 0.453 . . . . 0.0 111.608 -179.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 17.3 m -121.54 -50.07 3.01 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.67 0 N-CA-C 113.148 0.796 . . . . 0.0 113.148 -176.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.486 ' C ' ' HA ' ' A' ' 10' ' ' CYS . . . 150.48 169.22 16.21 Favored Glycine 0 N--CA 1.431 -1.666 0 C-N-CA 120.982 -0.628 . . . . 0.0 112.248 178.163 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.555 ' SG ' HD11 ' A' ' 20' ' ' LEU . 27.0 p -142.81 160.2 40.78 Favored 'General case' 0 C--N 1.299 -1.59 0 CA-C-O 120.871 0.367 . . . . 0.0 110.875 -177.301 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.562 ' O ' HD13 ' A' ' 20' ' ' LEU . 19.9 p -93.35 143.82 25.91 Favored 'General case' 0 N--CA 1.405 -2.678 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.607 178.268 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -60.48 -36.13 77.57 Favored 'General case' 0 C--N 1.307 -1.245 0 C-N-CA 124.007 0.923 . . . . 0.0 110.616 -176.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.6 mmm180 -61.63 -30.92 71.02 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.226 173.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.1 t -76.52 -33.49 58.59 Favored 'General case' 0 N--CA 1.426 -1.645 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.081 -176.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.562 HD13 ' O ' ' A' ' 16' ' ' THR . 2.0 mp -79.23 -29.43 42.73 Favored 'General case' 0 CA--C 1.498 -1.023 0 C-N-CA 119.048 -1.061 . . . . 0.0 108.983 174.471 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.436 ' HA ' HG22 ' B' ' 22' ' ' ILE . . . -52.91 -46.13 67.9 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 124.495 1.122 . . . . 0.0 112.033 179.394 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 28.8 ptt180 . . . . . 0 C--N 1.317 -0.827 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.74 -176.799 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 4.1 p30 . . . . . 0 CA--C 1.508 -0.656 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 2.8 p -156.3 102.11 2.09 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-O 121.811 0.815 . . . . 0.0 110.668 176.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' TRP . . . . . 0.519 ' CZ3' HG12 ' B' ' 22' ' ' ILE . 1.3 m95 -69.04 -13.3 62.37 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 114.611 -1.177 . . . . 0.0 113.253 -173.465 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' MET . . . . . 0.577 ' O ' ' HD3' ' A' ' 18' ' ' ARG . 28.2 ttt -76.1 -31.84 58.9 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 120.316 -0.554 . . . . 0.0 110.482 177.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -134.92 -101.24 0.23 Allowed 'General case' 0 N--CA 1.432 -1.367 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 -178.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 54.27 122.41 0.0 OUTLIER 'General case' 0 C--O 1.224 -0.27 0 N-CA-C 115.414 1.635 . . . . 0.0 115.414 -173.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 4.0 p -126.62 117.6 48.58 Favored 'Isoleucine or valine' 0 C--N 1.277 -2.586 0 N-CA-C 106.866 -1.531 . . . . 0.0 106.866 172.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . 0.43 ' HB ' HD11 ' B' ' 10' ' ' LEU . 23.2 pt -116.57 164.25 13.05 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.022 0 CA-C-O 121.178 0.513 . . . . 0.0 110.63 -174.584 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -129.52 76.36 1.72 Allowed 'General case' 0 C--N 1.29 -2.021 0 CA-C-N 114.796 -1.093 . . . . 0.0 108.676 178.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.43 HD11 ' HB ' ' B' ' 8' ' ' ILE . 10.3 mp -118.83 174.84 6.05 Favored 'General case' 0 CA--C 1.482 -1.643 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.147 -178.524 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 58.4 m -151.78 166.12 32.34 Favored 'General case' 0 C--N 1.287 -2.141 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 -177.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 45.34 -119.74 3.65 Favored Glycine 0 CA--C 1.501 -0.844 0 N-CA-C 116.531 1.372 . . . . 0.0 116.531 171.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 9.8 ptp85 -73.36 -28.09 61.85 Favored 'General case' 0 C--N 1.294 -1.828 0 CA-C-N 114.493 -0.853 . . . . 0.0 111.524 -175.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -73.33 -32.03 64.33 Favored 'General case' 0 CA--C 1.496 -1.126 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.587 ' O ' ' HG3' ' B' ' 19' ' ' GLN . 10.7 tp -66.57 -41.67 88.21 Favored 'General case' 0 N--CA 1.434 -1.259 0 CA-C-N 114.403 -1.272 . . . . 0.0 108.695 179.469 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . 0.428 ' O ' HG12 ' B' ' 20' ' ' ILE . 57.5 t -69.46 -38.83 77.79 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.439 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.407 178.354 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 52.1 mtp180 -57.46 -45.25 84.98 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-O 120.868 0.366 . . . . 0.0 111.019 175.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.98 -37.96 89.38 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.248 178.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . 0.587 ' HG3' ' O ' ' B' ' 15' ' ' LEU . 47.0 mt-30 -62.71 -55.87 22.82 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.749 177.098 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . 0.428 HG12 ' O ' ' B' ' 16' ' ' VAL . 46.6 mm -53.7 -44.41 58.51 Favored 'Isoleucine or valine' 0 C--O 1.242 0.674 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.161 178.085 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.98 -49.56 67.4 Favored 'General case' 0 N--CA 1.438 -1.025 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.165 179.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . 0.519 HG12 ' CZ3' ' B' ' 3' ' ' TRP . 0.3 OUTLIER -63.59 -43.68 98.3 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.007 0 CA-C-O 121.032 0.444 . . . . 0.0 110.955 -176.167 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 6.7 t -80.33 -20.78 43.45 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-O 120.95 0.405 . . . . 0.0 110.641 -173.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.81 -35.8 11.06 Favored Glycine 0 N--CA 1.44 -1.1 0 C-N-CA 120.633 -0.794 . . . . 0.0 111.396 177.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 86.7 mtp -92.18 33.01 1.1 Allowed 'General case' 0 C--N 1.318 -0.768 0 C-N-CA 122.797 0.439 . . . . 0.0 111.604 -177.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 22.5 m -81.91 20.26 1.0 Allowed 'General case' 0 C--N 1.305 -1.335 0 CA-C-O 121.312 0.577 . . . . 0.0 111.384 -178.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 8.4 m -74.57 -18.63 60.55 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 122.437 1.113 . . . . 0.0 110.125 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' TRP . . . . . . . . . . . . . 75.9 t-105 -99.99 133.27 44.6 Favored 'General case' 0 C--N 1.273 -2.725 0 CA-C-N 114.21 -1.359 . . . . 0.0 108.986 179.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 40.9 m -94.02 91.74 7.0 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 176.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.06 0 CA-C-N 116.226 -0.443 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.704 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 85.1 mt -69.24 -33.45 73.3 Favored 'General case' 0 CA--C 1.473 -2.005 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.18 -179.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -73.43 -39.25 65.16 Favored 'General case' 0 N--CA 1.398 -3.034 0 C-N-CA 118.202 -1.399 . . . . 0.0 110.489 177.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 26.7 t -63.72 -36.08 82.68 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 177.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.98 -47.38 86.71 Favored 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 176.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 41.0 tp -63.0 -47.89 81.15 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.478 178.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.14 -49.42 66.6 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 123.643 0.777 . . . . 0.0 111.702 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -65.75 -45.25 83.29 Favored 'General case' 0 CA--C 1.506 -0.742 0 O-C-N 123.239 0.337 . . . . 0.0 110.777 177.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -59.65 -50.38 74.1 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.736 -176.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.419 ' HA ' ' HA2' ' A' ' 14' ' ' GLY . 33.5 m -67.66 -31.55 71.62 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-O 120.833 0.349 . . . . 0.0 110.6 -178.357 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.1 t -79.24 -24.85 42.75 Favored 'General case' 0 N--CA 1.429 -1.503 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.195 -176.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -92.31 -63.67 1.21 Allowed 'General case' 0 N--CA 1.446 -0.645 0 CA-C-O 121.181 0.515 . . . . 0.0 111.124 179.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 17.0 m -108.25 -45.13 7.04 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.514 0 CA-C-O 121.533 0.682 . . . . 0.0 111.388 -174.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.419 ' HA2' ' HA ' ' A' ' 10' ' ' CYS . . . 132.52 176.07 14.25 Favored Glycine 0 N--CA 1.412 -2.921 0 N-CA-C 110.375 -1.09 . . . . 0.0 110.375 178.734 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.8 p -151.55 163.39 39.15 Favored 'General case' 0 C--N 1.281 -2.397 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 -179.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.511 ' O ' HD13 ' A' ' 20' ' ' LEU . 18.9 p -82.0 145.39 30.27 Favored 'General case' 0 N--CA 1.391 -3.379 0 CA-C-O 121.118 0.485 . . . . 0.0 110.104 179.111 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.7 tptm -64.79 -26.4 68.33 Favored 'General case' 0 C--N 1.273 -2.721 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 179.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.577 ' HD3' ' O ' ' B' ' 4' ' ' MET . 18.9 mtm180 -67.92 -28.43 67.48 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.435 -1.257 . . . . 0.0 110.125 174.086 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.458 ' HB3' ' OG1' ' A' ' 16' ' ' THR . 23.5 p -73.31 -45.69 53.95 Favored 'General case' 0 N--CA 1.438 -1.052 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 -178.151 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.519 ' HB3' ' HG2' ' B' ' 19' ' ' GLN . 1.7 mp -68.54 -27.62 66.26 Favored 'General case' 0 CA--C 1.501 -0.905 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 177.471 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.79 -38.96 87.1 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.904 176.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.422 ' HG2' ' O ' ' A' ' 19' ' ' SER . 3.3 ptm180 -81.71 -12.81 58.48 Favored 'General case' 0 C--N 1.317 -0.844 0 C-N-CA 119.661 -0.816 . . . . 0.0 111.268 -179.399 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -92.86 -55.94 3.18 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 120.94 -0.304 . . . . 0.0 111.754 177.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 87.4 m 67.74 -78.77 0.04 OUTLIER 'General case' 0 C--N 1.312 -1.046 0 C-N-CA 124.073 0.949 . . . . 0.0 112.565 -177.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.314 -0.943 0 O-C-N 121.964 -0.46 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 21.9 t70 . . . . . 0 CA--C 1.508 -0.644 0 N-CA-C 112.516 0.561 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 14.4 m -76.94 142.88 39.86 Favored 'General case' 0 C--N 1.3 -1.547 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.695 -176.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' TRP . . . . . . . . . . . . . 21.3 m95 -93.87 -53.94 3.81 Favored 'General case' 0 C--N 1.289 -2.037 0 N-CA-C 114.434 1.272 . . . . 0.0 114.434 -176.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' MET . . . . . 0.418 ' CE ' ' HB3' ' B' ' 28' ' ' TRP . 1.9 mpt? -63.49 -46.97 83.69 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-O 120.894 0.378 . . . . 0.0 111.689 -172.287 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -130.1 86.8 2.44 Favored 'General case' 0 N--CA 1.42 -1.947 0 CA-C-O 121.983 0.897 . . . . 0.0 111.691 -177.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . 0.475 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 24.3 tt0 -141.92 149.27 39.95 Favored 'General case' 0 C--N 1.285 -2.234 0 N-CA-C 103.937 -2.616 . . . . 0.0 103.937 172.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 10.5 p -137.84 137.8 44.65 Favored 'Isoleucine or valine' 0 C--N 1.276 -2.613 0 O-C-N 123.613 0.571 . . . . 0.0 111.378 -172.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 18.9 pt -136.64 172.34 15.34 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.356 0 CA-C-N 115.368 -0.833 . . . . 0.0 108.998 178.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . 0.46 ' HE3' ' O ' ' A' ' 13' ' ' VAL . 63.0 mttp -137.16 86.96 2.24 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 179.177 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -124.21 176.58 6.33 Favored 'General case' 0 CA--C 1.47 -2.121 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 -179.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 13.4 m -154.55 166.09 34.43 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 107.237 -1.394 . . . . 0.0 107.237 -175.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 51.33 -136.35 31.14 Favored Glycine 0 C--O 1.238 0.353 0 O-C-N 123.78 0.675 . . . . 0.0 114.419 173.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.07 -10.01 59.71 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -178.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -75.68 -29.1 58.92 Favored 'General case' 0 C--O 1.241 0.639 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 176.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.534 ' O ' ' HG3' ' B' ' 19' ' ' GLN . 14.1 tp -73.4 -42.09 62.52 Favored 'General case' 0 N--CA 1.428 -1.559 0 CA-C-N 113.592 -1.64 . . . . 0.0 107.749 177.61 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 94.6 t -65.03 -40.99 90.86 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.59 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 49.7 ttp180 -52.43 -52.29 54.76 Favored 'General case' 0 C--O 1.251 1.176 0 C-N-CA 124.356 1.062 . . . . 0.0 108.761 177.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . 0.573 ' O ' HG13 ' B' ' 22' ' ' ILE . . . -60.19 -51.22 70.49 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 113.456 -1.702 . . . . 0.0 110.746 176.461 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . 0.534 ' HG3' ' O ' ' B' ' 15' ' ' LEU . 93.4 mt-30 -48.81 -56.32 9.04 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.139 0.975 . . . . 0.0 112.415 179.511 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 47.7 mm -53.7 -41.72 48.37 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.827 179.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . 0.412 ' O ' ' HG2' ' B' ' 25' ' ' MET . . . -65.0 -41.56 95.28 Favored 'General case' 0 C--O 1.219 -0.512 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.654 178.648 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . 0.573 HG13 ' O ' ' B' ' 18' ' ' ALA . 45.3 mt -72.41 -49.1 44.46 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.043 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.405 -177.247 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' CYS . . . . . 0.467 ' SG ' ' HA ' ' A' ' 21' ' ' ALA . 17.8 m -74.46 -23.38 58.88 Favored 'General case' 0 CA--C 1.502 -0.89 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -174.299 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.44 -25.47 73.75 Favored Glycine 0 C--N 1.301 -1.408 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.701 175.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' MET . . . . . 0.412 ' HG2' ' O ' ' B' ' 21' ' ' ALA . 21.2 ptt? -141.13 47.66 1.7 Allowed 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -177.06 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 39.3 m -82.02 69.09 8.65 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.724 0.773 . . . . 0.0 109.243 177.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 12.7 m -72.55 -20.52 61.31 Favored 'General case' 0 C--N 1.307 -1.282 0 CA-C-N 115.189 -0.914 . . . . 0.0 112.274 -177.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' TRP . . . . . 0.418 ' HB3' ' CE ' ' B' ' 4' ' ' MET . 97.6 m95 -117.08 138.62 51.5 Favored 'General case' 0 C--N 1.271 -2.82 0 CA-C-N 114.923 -1.035 . . . . 0.0 112.258 -176.414 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 6.5 p -79.44 -84.65 0.09 Allowed 'General case' 0 N--CA 1.439 -1.021 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.917 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.045 0 O-C-N 122.082 -0.386 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.44 0 CA-C-O 120.68 0.276 . . . . 0.0 110.704 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 91.1 mt -78.48 -22.63 47.2 Favored 'General case' 0 CA--C 1.505 -0.754 0 CA-C-O 121.239 0.543 . . . . 0.0 111.06 -178.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.15 -37.56 77.6 Favored 'General case' 0 C--N 1.303 -1.453 0 CA-C-N 115.221 -0.899 . . . . 0.0 109.523 171.175 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 32.2 t -81.85 -27.15 33.7 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.575 178.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.92 -45.13 95.05 Favored 'General case' 0 CA--C 1.512 -0.495 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 176.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 37.2 tp -54.39 -46.71 73.16 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.243 175.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.76 -50.75 71.35 Favored 'General case' 0 CA--C 1.508 -0.666 0 O-C-N 123.689 0.618 . . . . 0.0 110.641 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -61.67 -49.25 77.26 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.811 179.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt -59.23 -43.62 92.35 Favored 'General case' 0 C--N 1.317 -0.814 0 C-N-CA 122.801 0.44 . . . . 0.0 111.768 -179.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.465 ' HA ' ' CA ' ' A' ' 14' ' ' GLY . 10.9 t -74.79 -27.98 60.54 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-O 121.132 0.491 . . . . 0.0 110.383 -177.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.9 t -76.89 -24.99 52.53 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-O 121.499 0.666 . . . . 0.0 109.393 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 30.8 m-70 -94.64 -69.66 0.74 Allowed 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.708 177.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.46 ' O ' ' HE3' ' B' ' 9' ' ' LYS . 19.7 m -95.15 -47.91 13.01 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.159 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.794 -176.19 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.465 ' CA ' ' HA ' ' A' ' 10' ' ' CYS . . . 136.45 174.41 13.33 Favored Glycine 0 C--N 1.285 -2.261 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 177.622 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.508 ' SG ' HD11 ' A' ' 20' ' ' LEU . 20.2 p -139.77 153.77 47.23 Favored 'General case' 0 C--N 1.287 -2.113 0 CA-C-O 120.886 0.374 . . . . 0.0 111.292 -177.149 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.565 ' O ' HD13 ' A' ' 20' ' ' LEU . 61.3 p -89.82 146.55 24.37 Favored 'General case' 0 N--CA 1.415 -2.217 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 176.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.475 ' HB2' ' HB3' ' B' ' 6' ' ' GLU . 2.6 tptm -52.7 -44.85 66.58 Favored 'General case' 0 C--N 1.283 -2.295 0 C-N-CA 124.543 1.137 . . . . 0.0 112.533 -175.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.5 mmm180 -71.06 -20.39 62.37 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 119.925 -0.71 . . . . 0.0 112.871 175.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.3 t -71.43 -41.21 69.77 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 178.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.565 HD13 ' O ' ' A' ' 16' ' ' THR . 3.9 mp -67.41 -38.12 84.14 Favored 'General case' 0 CA--C 1.489 -1.373 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 174.746 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.467 ' HA ' ' SG ' ' B' ' 23' ' ' CYS . . . -60.12 -25.72 65.68 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 114.59 -1.187 . . . . 0.0 113.728 -179.045 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.0 ptp180 -84.2 -9.78 58.26 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 119.312 -0.955 . . . . 0.0 110.977 178.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -111.59 -82.64 0.58 Allowed 'General case' 0 C--N 1.311 -1.084 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.917 178.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 99.5 m 57.18 87.7 0.06 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.082 -0.963 . . . . 0.0 112.051 -174.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.826 0 CA-C-N 116.159 -0.473 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 . . . . . 0 N--CA 1.476 0.836 0 CA-C-O 120.877 0.37 . . . . 0.0 111.267 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 15.2 m -82.52 149.07 27.74 Favored 'General case' 0 N--CA 1.423 -1.815 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 -178.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' TRP . . . . . 0.559 ' O ' ' HG3' ' A' ' 18' ' ' ARG . 39.7 m95 -91.22 -39.94 11.81 Favored 'General case' 0 C--N 1.291 -1.958 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.587 -179.379 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' MET . . . . . 0.615 ' SD ' ' HD3' ' A' ' 18' ' ' ARG . 96.0 mmm -69.11 -46.15 68.41 Favored 'General case' 0 CA--C 1.502 -0.891 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.454 179.375 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -114.17 85.48 2.23 Favored 'General case' 0 N--CA 1.427 -1.611 0 CA-C-N 114.659 -1.155 . . . . 0.0 111.608 -174.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . 0.559 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 22.7 tt0 -164.97 146.63 7.84 Favored 'General case' 0 C--N 1.306 -1.287 0 N-CA-C 106.901 -1.518 . . . . 0.0 106.901 171.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 6.0 p -148.6 123.26 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.282 -2.355 0 O-C-N 124.302 1.001 . . . . 0.0 108.862 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 18.7 pt -125.26 169.82 16.15 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.97 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.985 -176.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -127.78 88.01 2.71 Favored 'General case' 0 C--N 1.29 -2.014 0 CA-C-N 115.252 -0.886 . . . . 0.0 108.879 177.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 10.6 mp -119.76 170.34 9.3 Favored 'General case' 0 C--N 1.291 -1.956 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.657 178.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 48.9 t -161.92 164.11 28.71 Favored 'General case' 0 C--N 1.281 -2.386 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 -175.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 54.15 -130.53 44.33 Favored Glycine 0 C--N 1.295 -1.725 0 O-C-N 124.573 1.17 . . . . 0.0 113.638 178.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . 0.43 ' O ' ' HG3' ' B' ' 17' ' ' ARG . 71.3 ttt180 -66.48 -35.29 79.92 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-N 114.838 -0.681 . . . . 0.0 111.9 -178.77 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -64.88 -35.83 82.39 Favored 'General case' 0 CA--C 1.5 -0.95 0 C-N-CA 120.363 -0.535 . . . . 0.0 109.674 -177.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.425 ' CD2' ' HA ' ' A' ' 7' ' ' ALA . 35.8 tp -65.13 -41.64 94.63 Favored 'General case' 0 N--CA 1.438 -1.044 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.429 -178.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 74.7 t -68.94 -37.94 77.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.017 177.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . 0.43 ' HG3' ' O ' ' B' ' 13' ' ' ARG . 81.8 mtp180 -60.83 -41.22 95.36 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.31 178.126 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . 0.581 ' O ' HG13 ' B' ' 22' ' ' ILE . . . -67.61 -46.52 72.3 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.879 177.33 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . 0.503 ' HG2' ' HB3' ' A' ' 20' ' ' LEU . 94.2 mt-30 -50.92 -57.8 7.62 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.048 0.939 . . . . 0.0 111.352 177.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 1.7 mp -59.51 -36.49 64.98 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.185 0 CA-C-N 115.277 -0.874 . . . . 0.0 112.122 178.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.76 -44.05 91.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.745 0.307 . . . . 0.0 110.427 178.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . 0.581 HG13 ' O ' ' B' ' 18' ' ' ALA . 64.0 mt -62.14 -39.02 82.38 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.808 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.712 178.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 77.3 m -74.79 -23.79 58.56 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-O 121.185 0.517 . . . . 0.0 112.043 -177.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.13 -20.21 77.7 Favored Glycine 0 C--N 1.29 -1.991 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.294 173.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 65.2 mtm -123.89 35.37 4.85 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 123.35 0.66 . . . . 0.0 109.29 -178.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 23.0 t -85.25 68.75 10.61 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 121.81 0.814 . . . . 0.0 111.384 -174.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 11.5 m -84.69 -18.17 36.17 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-O 122.6 1.19 . . . . 0.0 109.08 176.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' TRP . . . . . . . . . . . . . 71.9 m95 -130.11 165.61 21.92 Favored 'General case' 0 C--N 1.28 -2.439 0 CA-C-N 113.539 -1.664 . . . . 0.0 106.933 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 32.7 t -90.21 96.8 10.84 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 108.577 -0.898 . . . . 0.0 108.577 179.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.034 0 CA-C-N 116.422 -0.354 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.031 0 CA-C-O 120.743 0.306 . . . . 0.0 110.442 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.7 mp -75.57 -22.19 57.21 Favored 'General case' 0 CA--C 1.475 -1.926 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -177.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -66.89 -44.97 79.43 Favored 'General case' 0 N--CA 1.402 -2.85 0 C-N-CA 119.24 -0.984 . . . . 0.0 109.738 174.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 18.0 m -65.21 -29.94 70.79 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.093 177.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.0 -52.13 65.24 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.616 176.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 54.9 tp -58.67 -43.76 89.97 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 116.719 -0.219 . . . . 0.0 110.513 176.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.425 ' HA ' ' CD2' ' B' ' 15' ' ' LEU . . . -54.68 -53.89 48.89 Favored 'General case' 0 N--CA 1.447 -0.582 0 O-C-N 123.88 0.738 . . . . 0.0 111.076 -179.619 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -67.09 -46.43 74.26 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.069 -179.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt -60.99 -42.89 99.29 Favored 'General case' 0 C--O 1.212 -0.913 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -178.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.437 ' HA ' ' CA ' ' A' ' 14' ' ' GLY . 13.5 t -77.02 -24.97 52.11 Favored 'General case' 0 C--N 1.299 -1.612 0 CA-C-O 121.234 0.54 . . . . 0.0 109.82 -178.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.6 t -70.98 -36.11 72.37 Favored 'General case' 0 N--CA 1.438 -1.038 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 178.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 61.6 m-70 -92.84 -68.36 0.8 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.17 -0.468 . . . . 0.0 112.218 179.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 19.8 m -88.88 -47.8 15.04 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.987 0 N-CA-C 112.653 0.612 . . . . 0.0 112.653 -176.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.437 ' CA ' ' HA ' ' A' ' 10' ' ' CYS . . . 133.86 174.71 13.62 Favored Glycine 0 C--N 1.286 -2.217 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 178.219 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.4 p -144.78 152.27 40.08 Favored 'General case' 0 C--N 1.292 -1.935 0 CA-C-O 121.093 0.473 . . . . 0.0 111.296 -177.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.537 ' O ' HD12 ' A' ' 20' ' ' LEU . 20.8 p -82.6 153.19 25.58 Favored 'General case' 0 N--CA 1.409 -2.511 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 176.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.559 ' HB2' ' HB3' ' B' ' 6' ' ' GLU . 10.3 tptm -62.48 -32.72 73.66 Favored 'General case' 0 C--N 1.28 -2.433 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.775 -176.139 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.615 ' HD3' ' SD ' ' B' ' 4' ' ' MET . 65.1 mtm180 -65.29 -26.83 68.24 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-O 120.868 0.366 . . . . 0.0 111.516 172.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.444 ' O ' ' HD1' ' A' ' 23' ' ' PHE . 32.0 t -73.83 -43.21 59.45 Favored 'General case' 0 N--CA 1.43 -1.45 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 -176.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.537 HD12 ' O ' ' A' ' 16' ' ' THR . 1.6 mp -71.08 -35.66 71.95 Favored 'General case' 0 CA--C 1.505 -0.771 0 C-N-CA 119.073 -1.051 . . . . 0.0 108.881 177.298 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.78 -33.52 74.24 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 114.894 -1.048 . . . . 0.0 112.487 -177.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -85.25 -8.72 58.4 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 112.192 0.441 . . . . 0.0 112.192 -176.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.444 ' HD1' ' O ' ' A' ' 19' ' ' SER . 72.0 m-85 -106.4 -57.25 2.08 Favored 'General case' 0 CA--C 1.497 -1.075 0 CA-C-O 120.791 0.329 . . . . 0.0 110.294 176.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.6 t 63.45 -85.24 0.02 OUTLIER 'General case' 0 C--N 1.309 -1.182 0 C-N-CA 125.276 1.43 . . . . 0.0 112.038 178.174 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.877 0 O-C-N 121.509 -0.744 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . 0.527 ' O ' ' HG2' ' B' ' 4' ' ' MET . 13.1 p-10 . . . . . 0 C--O 1.193 -1.871 0 N-CA-C 111.607 0.225 . . . . 0.0 111.607 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 8.3 m -60.82 -21.68 63.42 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-O 122.377 1.084 . . . . 0.0 113.033 -177.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' TRP . . . . . . . . . . . . . 27.8 p-90 -93.12 -8.85 41.46 Favored 'General case' 0 C--N 1.27 -2.878 0 CA-C-N 113.559 -1.655 . . . . 0.0 112.526 -178.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' MET . . . . . 0.527 ' HG2' ' O ' ' B' ' 1' ' ' ASP . 25.3 ptt? -74.82 -33.63 62.21 Favored 'General case' 0 CA--C 1.509 -0.624 0 N-CA-C 112.773 0.656 . . . . 0.0 112.773 -169.346 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -87.81 102.02 14.27 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 105.481 -2.044 . . . . 0.0 105.481 177.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . 0.539 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 27.9 tt0 -172.13 156.51 3.99 Favored 'General case' 0 N--CA 1.429 -1.505 0 N-CA-C 107.516 -1.29 . . . . 0.0 107.516 -178.187 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 8.5 p -141.41 128.48 20.91 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.316 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 178.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 23.9 pt -127.95 171.85 15.56 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.012 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 -177.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -134.75 82.28 1.95 Allowed 'General case' 0 C--N 1.291 -1.97 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 177.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 9.8 mp -118.96 175.59 5.69 Favored 'General case' 0 C--N 1.299 -1.609 0 CA-C-N 115.131 -0.941 . . . . 0.0 109.612 -179.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 35.0 m -144.48 160.8 40.49 Favored 'General case' 0 C--N 1.287 -2.128 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.181 -178.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 42.82 -116.42 1.22 Allowed Glycine 0 C--N 1.335 0.487 0 N-CA-C 116.678 1.431 . . . . 0.0 116.678 173.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -68.81 -25.11 64.51 Favored 'General case' 0 C--N 1.291 -1.936 0 CA-C-N 113.39 -1.405 . . . . 0.0 112.025 -174.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -77.83 -29.69 50.73 Favored 'General case' 0 N--CA 1.44 -0.968 0 C-N-CA 120.575 -0.45 . . . . 0.0 109.945 179.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.499 ' CD1' ' HA ' ' A' ' 7' ' ' ALA . 95.8 mt -64.0 -41.4 97.5 Favored 'General case' 0 CA--C 1.501 -0.913 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.013 173.748 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 55.1 t -65.34 -41.69 91.9 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.719 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.269 178.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 19.8 mmm180 -59.54 -41.25 89.65 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 111.96 0.355 . . . . 0.0 111.96 176.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . 0.454 ' O ' HG13 ' B' ' 22' ' ' ILE . . . -66.93 -44.97 79.28 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.709 178.589 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . 0.418 ' CG ' ' HB3' ' A' ' 20' ' ' LEU . 87.1 mt-30 -54.43 -54.27 43.02 Favored 'General case' 0 C--O 1.24 0.592 0 C-N-CA 124.048 0.939 . . . . 0.0 110.999 176.066 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 80.9 mt -56.57 -43.03 77.55 Favored 'Isoleucine or valine' 0 C--O 1.251 1.165 0 CA-C-N 114.918 -1.037 . . . . 0.0 110.753 177.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . 0.408 ' O ' ' HG2' ' B' ' 25' ' ' MET . . . -62.47 -44.1 97.22 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.703 179.074 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . 0.454 HG13 ' O ' ' B' ' 18' ' ' ALA . 74.3 mt -56.01 -46.12 80.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 124.392 1.077 . . . . 0.0 111.669 178.551 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 34.5 m -74.4 -22.53 59.13 Favored 'General case' 0 C--N 1.304 -1.382 0 CA-C-O 121.523 0.678 . . . . 0.0 111.631 -178.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -89.65 7.85 81.02 Favored Glycine 0 C--N 1.293 -1.851 0 CA-C-N 115.331 -0.849 . . . . 0.0 112.069 173.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' MET . . . . . 0.408 ' HG2' ' O ' ' B' ' 21' ' ' ALA . 13.9 mmt -103.14 35.19 2.62 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.398 0.679 . . . . 0.0 111.834 -179.432 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 23.3 t -80.93 17.4 1.21 Allowed 'General case' 0 C--N 1.308 -1.211 0 CA-C-O 121.305 0.574 . . . . 0.0 110.537 -177.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 4.5 m -85.68 -19.14 31.36 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 122.476 1.132 . . . . 0.0 109.837 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' TRP . . . . . . . . . . . . . 75.7 m95 -95.81 118.54 32.65 Favored 'General case' 0 C--N 1.274 -2.683 0 CA-C-N 114.072 -1.422 . . . . 0.0 108.108 -177.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 30.8 m -145.05 76.68 1.5 Allowed 'General case' 0 C--N 1.287 -2.124 0 CA-C-O 121.247 0.546 . . . . 0.0 109.96 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.302 0 CA-C-N 116.025 -0.534 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.773 0 CA-C-O 122.628 1.204 . . . . 0.0 109.494 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 82.1 mt -72.88 -33.27 65.94 Favored 'General case' 0 C--N 1.291 -1.946 0 CA-C-N 113.606 -1.634 . . . . 0.0 111.541 -175.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 59.6 m-85 -68.11 -46.29 71.31 Favored 'General case' 0 CA--C 1.506 -0.74 0 CA-C-O 121.271 0.558 . . . . 0.0 109.641 176.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 9.0 m -57.29 -40.31 77.53 Favored 'General case' 0 C--N 1.304 -1.381 0 CA-C-N 114.551 -1.204 . . . . 0.0 110.685 176.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.28 -54.36 47.87 Favored 'General case' 0 N--CA 1.449 -0.481 0 O-C-N 123.727 0.642 . . . . 0.0 110.155 177.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 64.8 tp -58.07 -44.11 87.34 Favored 'General case' 0 C--O 1.235 0.323 0 O-C-N 123.293 0.371 . . . . 0.0 110.646 178.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.499 ' HA ' ' CD1' ' B' ' 15' ' ' LEU . . . -56.07 -52.09 65.52 Favored 'General case' 0 N--CA 1.451 -0.403 0 O-C-N 123.928 0.768 . . . . 0.0 111.301 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -68.64 -45.94 70.51 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.102 -178.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 60.6 mtpt -60.41 -45.5 93.37 Favored 'General case' 0 C--N 1.312 -1.046 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 -178.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.484 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 11.5 t -73.48 -28.45 61.94 Favored 'General case' 0 C--N 1.304 -1.395 0 C-N-CA 120.766 -0.373 . . . . 0.0 110.309 -178.605 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 8.7 t -75.66 -32.73 60.29 Favored 'General case' 0 N--CA 1.432 -1.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.194 -178.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 37.1 m-70 -88.07 -61.0 1.81 Allowed 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.613 -0.435 . . . . 0.0 111.703 179.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 19.7 m -101.18 -47.84 11.44 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.128 0 CA-C-O 121.404 0.621 . . . . 0.0 112.344 -176.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.484 ' C ' ' HA ' ' A' ' 10' ' ' CYS . . . 139.04 173.7 13.14 Favored Glycine 0 C--N 1.282 -2.441 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 178.302 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.515 ' SG ' HD11 ' A' ' 20' ' ' LEU . 22.8 p -139.49 152.54 47.05 Favored 'General case' 0 C--N 1.285 -2.226 0 CA-C-O 121.404 0.621 . . . . 0.0 111.446 -177.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.503 ' O ' HD13 ' A' ' 20' ' ' LEU . 3.3 p -86.66 145.16 26.82 Favored 'General case' 0 N--CA 1.397 -3.119 0 CA-C-N 114.843 -1.071 . . . . 0.0 108.894 177.703 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.539 ' HB2' ' HB3' ' B' ' 6' ' ' GLU . 12.8 tptm -63.37 -30.58 71.69 Favored 'General case' 0 C--N 1.293 -1.883 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.441 -175.442 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.3 mmm180 -65.57 -25.0 67.22 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-O 121.095 0.474 . . . . 0.0 110.673 174.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.49 ' HB3' ' O ' ' A' ' 16' ' ' THR . 47.8 t -76.81 -45.12 29.87 Favored 'General case' 0 N--CA 1.434 -1.261 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.708 -178.641 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.515 HD11 ' SG ' ' A' ' 15' ' ' CYS . 1.7 mp -70.26 -29.52 66.34 Favored 'General case' 0 CA--C 1.494 -1.176 0 C-N-CA 119.037 -1.065 . . . . 0.0 108.993 178.138 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.03 -37.8 88.8 Favored 'General case' 0 C--N 1.309 -1.167 0 O-C-N 124.109 0.881 . . . . 0.0 110.479 177.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.6 tpm_? -63.53 -28.63 70.08 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.572 0.701 . . . . 0.0 111.023 179.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -97.22 -58.56 1.99 Allowed 'General case' 0 C--N 1.297 -1.679 0 CA-C-N 116.14 -0.482 . . . . 0.0 112.035 179.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 47.1 t 50.34 -104.58 0.16 Allowed 'General case' 0 C--N 1.305 -1.357 0 C-N-CA 125.224 1.409 . . . . 0.0 112.079 -178.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.71 0 O-C-N 121.244 -0.91 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 . . . . . 0 N--CA 1.474 0.75 0 N-CA-C 111.239 0.089 . . . . 0.0 111.239 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.563 ' O ' ' HB2' ' B' ' 6' ' ' GLU . 7.5 p -50.79 117.06 2.25 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.559 0.744 . . . . 0.0 111.088 177.601 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' TRP . . . . . 0.479 ' O ' ' HG2' ' A' ' 18' ' ' ARG . 85.2 m95 -81.27 -41.29 22.41 Favored 'General case' 0 C--N 1.297 -1.709 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -172.25 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 20.2 mmt -75.06 -31.71 61.32 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-O 121.277 0.561 . . . . 0.0 110.278 -173.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -135.11 98.64 4.04 Favored 'General case' 0 N--CA 1.417 -2.09 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.456 176.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . 0.563 ' HB2' ' O ' ' B' ' 2' ' ' SER . 22.3 tt0 -157.84 148.49 20.86 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 105.077 -2.194 . . . . 0.0 105.077 171.227 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.68 134.8 13.75 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.474 0 O-C-N 123.671 0.607 . . . . 0.0 109.545 -176.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -135.93 166.24 27.62 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.638 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -124.05 84.92 2.34 Favored 'General case' 0 C--N 1.311 -1.103 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 177.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 10.9 mp -117.03 175.79 5.43 Favored 'General case' 0 C--N 1.294 -1.835 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.942 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' CYS . . . . . 0.421 ' O ' ' HB2' ' B' ' 14' ' ' GLU . 38.2 t -158.45 166.43 32.22 Favored 'General case' 0 C--N 1.282 -2.348 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 -178.751 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 45.2 -125.2 6.76 Favored Glycine 0 C--O 1.266 2.15 0 O-C-N 124.671 1.232 . . . . 0.0 115.759 177.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 18.7 ptt180 -65.22 -23.55 67.1 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 114.174 -1.013 . . . . 0.0 111.188 -178.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . 0.421 ' HB2' ' O ' ' B' ' 11' ' ' CYS . 45.8 mt-10 -72.21 -34.87 68.7 Favored 'General case' 0 N--CA 1.439 -1.001 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 -178.27 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 95.5 mt -62.91 -41.98 99.64 Favored 'General case' 0 CA--C 1.489 -1.377 0 N-CA-C 108.658 -0.868 . . . . 0.0 108.658 174.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 25.3 t -64.66 -39.65 86.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.704 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . 0.459 ' HA ' ' NE ' ' B' ' 17' ' ' ARG . 2.7 mmp_? -53.67 -50.35 65.99 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.601 175.153 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . 0.616 ' O ' HG13 ' B' ' 22' ' ' ILE . . . -65.93 -50.08 65.69 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 114.927 -1.033 . . . . 0.0 110.944 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -51.67 -55.79 17.4 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 124.208 1.003 . . . . 0.0 111.705 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 79.9 mt -59.36 -37.94 72.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.586 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.34 -35.81 82.07 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.185 0.516 . . . . 0.0 110.148 177.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . 0.616 HG13 ' O ' ' B' ' 18' ' ' ALA . 64.3 mt -70.7 -47.27 64.92 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.728 177.165 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' CYS . . . . . 0.486 ' HA ' ' OG ' ' B' ' 26' ' ' SER . 61.9 m -74.81 -23.82 58.53 Favored 'General case' 0 C--N 1.307 -1.262 0 N-CA-C 113.928 1.084 . . . . 0.0 113.928 -173.346 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.92 -4.68 84.45 Favored Glycine 0 C--N 1.283 -2.401 0 C-N-CA 120.677 -0.773 . . . . 0.0 111.445 175.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 65.8 mtt -133.93 33.4 3.43 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 121.651 0.739 . . . . 0.0 109.097 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' SER . . . . . 0.486 ' OG ' ' HA ' ' B' ' 23' ' ' CYS . 68.2 m -79.04 76.24 5.54 Favored 'General case' 0 N--CA 1.43 -1.456 0 CA-C-O 122.152 0.977 . . . . 0.0 111.796 -177.491 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 17.6 m -80.22 -31.28 38.62 Favored 'General case' 0 C--N 1.297 -1.685 0 CA-C-N 114.135 -1.393 . . . . 0.0 108.428 173.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' TRP . . . . . . . . . . . . . 82.1 m95 -113.99 99.77 7.91 Favored 'General case' 0 C--N 1.28 -2.44 0 CA-C-N 113.148 -1.842 . . . . 0.0 109.178 -179.123 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 50.9 m -122.07 88.34 2.92 Favored 'General case' 0 C--N 1.301 -1.535 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.872 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.31 -1.148 0 CA-C-N 116.374 -0.375 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.514 -0.44 0 CA-C-O 122.366 1.079 . . . . 0.0 109.504 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 24.4 tp -73.99 -22.66 59.52 Favored 'General case' 0 C--N 1.301 -1.503 0 CA-C-N 113.983 -1.462 . . . . 0.0 111.873 -175.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -75.77 -43.57 45.9 Favored 'General case' 0 N--CA 1.404 -2.732 0 C-N-CA 118.578 -1.249 . . . . 0.0 109.945 177.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.7 t -64.21 -31.72 73.03 Favored 'General case' 0 C--O 1.245 0.834 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 177.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.65 -50.33 67.49 Favored 'General case' 0 C--O 1.213 -0.818 0 CA-C-N 115.353 -0.839 . . . . 0.0 110.877 177.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 54.5 tp -52.94 -44.45 67.06 Favored 'General case' 0 N--CA 1.488 1.444 0 CA-C-O 120.912 0.387 . . . . 0.0 110.35 178.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.74 -51.29 70.15 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 114.7 -1.136 . . . . 0.0 110.352 178.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -61.15 -48.33 82.09 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.807 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp -59.03 -49.94 75.97 Favored 'General case' 0 C--N 1.308 -1.213 0 C-N-CA 123.85 0.86 . . . . 0.0 112.694 -177.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.447 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 7.5 t -71.18 -26.59 63.04 Favored 'General case' 0 C--N 1.302 -1.48 0 CA-C-O 121.327 0.584 . . . . 0.0 110.291 -176.539 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.4 t -75.36 -25.62 57.88 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.582 -178.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 24.8 m-70 -101.92 -58.47 1.87 Allowed 'General case' 0 CA--C 1.515 -0.37 0 N-CA-C 112.978 0.732 . . . . 0.0 112.978 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 19.0 m -104.19 -44.54 9.04 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 -177.123 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.447 ' C ' ' HA ' ' A' ' 10' ' ' CYS . . . 137.47 176.22 14.3 Favored Glycine 0 C--N 1.293 -1.859 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 177.411 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.494 ' SG ' HD11 ' A' ' 20' ' ' LEU . 20.8 p -142.76 155.02 44.78 Favored 'General case' 0 C--N 1.298 -1.661 0 CA-C-O 121.022 0.439 . . . . 0.0 111.714 -177.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.528 ' O ' HD13 ' A' ' 20' ' ' LEU . 10.8 p -89.94 144.89 25.54 Favored 'General case' 0 N--CA 1.415 -2.176 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.154 177.35 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.479 ' HB2' ' HB3' ' B' ' 6' ' ' GLU . 13.7 tptm -59.3 -41.38 88.85 Favored 'General case' 0 C--N 1.289 -2.059 0 C-N-CA 123.787 0.835 . . . . 0.0 112.53 -172.765 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.479 ' HG2' ' O ' ' B' ' 3' ' ' TRP . 23.0 mmm180 -68.86 -20.78 64.29 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 120.351 -0.54 . . . . 0.0 111.782 175.552 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.4 ' HB3' ' O ' ' A' ' 16' ' ' THR . 22.7 t -73.29 -38.45 65.88 Favored 'General case' 0 C--N 1.31 -1.148 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.528 HD13 ' O ' ' A' ' 16' ' ' THR . 2.1 mp -72.75 -36.9 67.82 Favored 'General case' 0 CA--C 1.496 -1.127 0 C-N-CA 118.737 -1.185 . . . . 0.0 108.486 175.028 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.02 -35.72 73.75 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 114.828 -1.078 . . . . 0.0 113.092 -178.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 -81.76 -5.69 58.39 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -176.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -118.62 -65.28 1.19 Allowed 'General case' 0 C--N 1.308 -1.214 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 176.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 17.3 t 58.46 -108.16 0.4 Allowed 'General case' 0 C--N 1.301 -1.533 0 CA-C-N 114.422 -1.263 . . . . 0.0 110.785 175.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.795 0 O-C-N 121.441 -0.787 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . 0.545 ' H3 ' ' CD ' ' B' ' 6' ' ' GLU . 13.2 t70 . . . . . 0 N--CA 1.471 0.598 0 CA-C-O 120.538 0.209 . . . . 0.0 110.457 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.499 ' O ' ' HG2' ' B' ' 6' ' ' GLU . 4.8 m -68.56 131.64 45.59 Favored 'General case' 0 C--N 1.312 -1.027 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 179.49 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' TRP . . . . . 0.47 ' O ' ' HD3' ' A' ' 18' ' ' ARG . 85.3 m95 -84.7 -7.0 59.38 Favored 'General case' 0 C--N 1.283 -2.285 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 -167.508 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 54.3 tpp -65.12 -41.92 94.42 Favored 'General case' 0 C--N 1.306 -1.309 0 CA-C-N 116.629 -0.259 . . . . 0.0 111.351 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.419 ' O ' ' HG2' ' A' ' 18' ' ' ARG . 22.6 mm-40 -116.79 -89.59 0.57 Allowed 'General case' 0 C--N 1.307 -1.249 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -177.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . 0.545 ' CD ' ' H3 ' ' B' ' 1' ' ' ASP . 8.1 mm-40 64.69 122.9 0.02 OUTLIER 'General case' 0 C--O 1.215 -0.754 0 C-N-CA 125.004 1.322 . . . . 0.0 112.477 -177.74 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.7 p -131.9 123.98 52.46 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.163 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 176.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . 0.435 ' HB ' HD11 ' B' ' 10' ' ' LEU . 26.1 pt -121.0 162.14 20.12 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.6 0 CA-C-O 121.167 0.508 . . . . 0.0 110.493 -176.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 58.4 mtpt -139.32 63.26 1.51 Allowed 'General case' 0 C--N 1.295 -1.795 0 CA-C-N 114.684 -1.143 . . . . 0.0 108.62 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.435 HD11 ' HB ' ' B' ' 8' ' ' ILE . 7.5 mp -102.64 175.59 5.45 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.134 -177.628 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 64.3 m -149.79 165.1 33.5 Favored 'General case' 0 C--N 1.297 -1.681 0 O-C-N 123.756 0.66 . . . . 0.0 109.73 -178.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 51.32 -129.44 32.64 Favored Glycine 0 C--O 1.248 1.005 0 O-C-N 123.894 0.746 . . . . 0.0 114.922 175.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 17.1 ptp180 -74.17 -10.31 59.48 Favored 'General case' 0 C--N 1.309 -1.179 0 CA-C-N 115.057 -0.572 . . . . 0.0 111.542 -178.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.94 -34.91 64.48 Favored 'General case' 0 N--CA 1.442 -0.874 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 174.012 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 88.7 mt -64.37 -41.52 96.68 Favored 'General case' 0 C--O 1.208 -1.114 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.327 175.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 46.4 t -66.16 -41.03 88.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.704 178.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 31.1 tpt180 -54.92 -57.19 12.62 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 177.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . 0.4 ' HB2' ' HE3' ' A' ' 17' ' ' LYS . . . -56.84 -45.4 82.41 Favored 'General case' 0 C--N 1.305 -1.353 0 CA-C-N 113.44 -1.709 . . . . 0.0 111.621 179.057 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . 0.498 ' O ' HG22 ' B' ' 22' ' ' ILE . 36.7 mt-30 -64.37 -53.53 47.09 Favored 'General case' 0 C--O 1.198 -1.618 0 N-CA-C 112.594 0.59 . . . . 0.0 112.594 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 46.8 mm -57.27 -38.17 60.46 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.946 0 CA-C-O 121.313 0.578 . . . . 0.0 110.037 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.36 -48.41 73.06 Favored 'General case' 0 N--CA 1.437 -1.116 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.84 178.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . 0.498 HG22 ' O ' ' B' ' 19' ' ' GLN . 8.5 tp -70.7 -28.83 35.55 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.828 0 CA-C-O 121.011 0.434 . . . . 0.0 110.453 -178.631 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 4.4 t -76.0 -22.79 55.43 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.098 0.475 . . . . 0.0 110.056 -176.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -97.08 -7.95 57.03 Favored Glycine 0 N--CA 1.43 -1.727 0 C-N-CA 120.384 -0.912 . . . . 0.0 111.805 178.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 45.8 tpp -166.23 89.41 0.4 Allowed 'General case' 0 N--CA 1.443 -0.801 0 CA-C-O 121.207 0.527 . . . . 0.0 109.895 -177.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 14.6 m -96.61 -1.12 47.49 Favored 'General case' 0 C--N 1.307 -1.24 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.2 177.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 8.1 p -110.25 -174.06 2.4 Favored 'General case' 0 N--CA 1.393 -3.324 0 CA-C-N 114.934 -1.03 . . . . 0.0 111.365 -173.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' TRP . . . . . 0.422 ' HA ' ' CD1' ' B' ' 3' ' ' TRP . 29.2 m-90 -84.47 85.56 7.39 Favored 'General case' 0 C--N 1.285 -2.232 0 N-CA-C 114.386 1.254 . . . . 0.0 114.386 -169.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 53.2 m -149.96 97.03 2.53 Favored 'General case' 0 C--N 1.301 -1.51 0 CA-C-N 114.577 -1.192 . . . . 0.0 109.013 174.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.381 0 CA-C-N 116.413 -0.358 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.776 0 N-CA-C 111.33 0.122 . . . . 0.0 111.33 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.446 HD13 ' N ' ' A' ' 3' ' ' TYR . 2.7 pp -64.15 -30.41 71.47 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 112.84 0.681 . . . . 0.0 112.84 -177.509 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.446 ' N ' HD13 ' A' ' 2' ' ' LEU . 35.3 m-85 -70.18 -50.73 37.3 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-O 121.078 0.466 . . . . 0.0 110.201 177.178 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 18.2 m -60.37 -35.17 75.07 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.793 178.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.28 -52.07 66.84 Favored 'General case' 0 C--O 1.243 0.761 0 CA-C-O 121.11 0.481 . . . . 0.0 109.755 176.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.407 ' HG ' ' SG ' ' A' ' 10' ' ' CYS . 51.1 tp -61.6 -38.19 86.68 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.219 -0.9 . . . . 0.0 109.809 178.557 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.22 -44.88 72.07 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.775 179.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 54.8 m-80 -62.67 -48.08 80.87 Favored 'General case' 0 CA--C 1.502 -0.899 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 177.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 59.0 mtpt -59.18 -47.84 83.83 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-N 115.193 -0.912 . . . . 0.0 112.429 -176.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.407 ' SG ' ' HG ' ' A' ' 6' ' ' LEU . 38.3 m -69.33 -28.03 65.88 Favored 'General case' 0 C--N 1.308 -1.228 0 O-C-N 122.213 -0.304 . . . . 0.0 110.989 -179.688 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 42.9 t -79.22 -37.34 38.36 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-O 121.223 0.535 . . . . 0.0 110.588 -178.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 46.0 m-70 -86.23 -50.43 6.97 Favored 'General case' 0 C--N 1.31 -1.125 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -177.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.0 m -112.95 -46.1 5.23 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.806 0 CA-C-O 121.237 0.542 . . . . 0.0 112.394 -178.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 122.67 164.88 12.26 Favored Glycine 0 C--N 1.286 -2.214 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 178.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.5 p -150.92 164.49 36.2 Favored 'General case' 0 C--N 1.289 -2.053 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 -176.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.483 ' O ' HD12 ' A' ' 20' ' ' LEU . 38.3 p -78.46 151.67 32.51 Favored 'General case' 0 N--CA 1.397 -3.077 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 176.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.4 ' HE3' ' HB2' ' B' ' 18' ' ' ALA . 18.4 tptm -67.24 -25.22 65.98 Favored 'General case' 0 C--N 1.287 -2.134 0 N-CA-C 106.979 -1.489 . . . . 0.0 106.979 177.761 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.47 ' HD3' ' O ' ' B' ' 3' ' ' TRP . 45.0 mmm-85 -66.07 -30.36 70.87 Favored 'General case' 0 C--N 1.339 0.129 0 CA-C-N 114.891 -1.05 . . . . 0.0 109.242 173.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.9 t -73.11 -37.68 66.6 Favored 'General case' 0 N--CA 1.426 -1.666 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.543 -178.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.483 HD12 ' O ' ' A' ' 16' ' ' THR . 0.8 OUTLIER -75.94 -31.91 59.32 Favored 'General case' 0 C--O 1.212 -0.881 0 C-N-CA 118.366 -1.333 . . . . 0.0 108.65 174.027 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.6 -34.68 74.58 Favored 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 32.1 ptt180 -75.02 -21.01 59.36 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 120.732 0.301 . . . . 0.0 111.691 179.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -97.0 -46.57 6.14 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.433 0.635 . . . . 0.0 110.101 179.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 49.7 t -170.04 88.53 0.15 Allowed 'General case' 0 C--N 1.293 -1.872 0 N-CA-C 106.795 -1.557 . . . . 0.0 106.795 174.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' NH2 . . . . . 0.41 ' HN2' HG21 ' B' ' 22' ' ' ILE . . . . . . . . 0 C--N 1.314 -0.949 0 CA-C-N 116.175 -0.466 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . 0.58 ' O ' ' HG2' ' B' ' 4' ' ' MET . 1.9 m-20 . . . . . 0 N--CA 1.477 0.909 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -59.25 -25.79 64.35 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-O 122.293 1.044 . . . . 0.0 112.243 -176.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' TRP . . . . . 0.497 ' O ' ' HG2' ' A' ' 17' ' ' LYS . 41.1 p-90 -83.5 -18.46 38.4 Favored 'General case' 0 C--N 1.27 -2.874 0 CA-C-N 113.918 -1.492 . . . . 0.0 112.485 -178.54 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' MET . . . . . 0.58 ' HG2' ' O ' ' B' ' 1' ' ' ASP . 23.4 ptt? -78.03 -24.81 47.7 Favored 'General case' 0 CA--C 1.499 -1.006 0 C-N-CA 119.656 -0.818 . . . . 0.0 111.69 -171.661 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -84.64 82.86 8.23 Favored 'General case' 0 N--CA 1.43 -1.47 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 177.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . 0.497 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 8.7 tp10 -157.63 163.3 38.41 Favored 'General case' 0 N--CA 1.421 -1.891 0 CA-C-N 115.003 -0.999 . . . . 0.0 108.382 -174.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.1 p -137.32 124.0 28.86 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.251 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 176.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 22.2 pt -125.71 171.95 13.78 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.867 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 -178.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -136.53 77.28 1.64 Allowed 'General case' 0 C--N 1.284 -2.261 0 CA-C-O 121.683 0.754 . . . . 0.0 109.385 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 10.8 mp -107.71 171.39 7.42 Favored 'General case' 0 CA--C 1.475 -1.94 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.234 179.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 53.1 t -161.21 163.35 31.17 Favored 'General case' 0 C--N 1.286 -2.182 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.736 -175.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 54.85 -129.16 44.7 Favored Glycine 0 C--O 1.251 1.184 0 O-C-N 124.843 1.34 . . . . 0.0 113.068 179.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 75.3 mtm180 -67.67 -32.83 73.77 Favored 'General case' 0 C--N 1.299 -1.599 0 CA-C-N 114.539 -0.831 . . . . 0.0 111.634 -178.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -68.5 -34.03 75.18 Favored 'General case' 0 CA--C 1.488 -1.425 0 C-N-CA 120.374 -0.531 . . . . 0.0 110.339 -177.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.486 ' CD2' ' HA ' ' A' ' 7' ' ' ALA . 28.2 tp -66.8 -40.49 88.13 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-N 115.089 -0.959 . . . . 0.0 109.242 179.528 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . 0.409 ' O ' HG12 ' B' ' 20' ' ' ILE . 57.4 t -68.19 -40.45 82.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.333 176.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 75.9 mtp180 -57.76 -46.62 84.28 Favored 'General case' 0 CA--C 1.514 -0.442 0 C-N-CA 122.731 0.412 . . . . 0.0 110.781 176.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . 0.569 ' O ' HG12 ' B' ' 22' ' ' ILE . . . -61.96 -45.85 91.87 Favored 'General case' 0 C--N 1.315 -0.91 0 O-C-N 123.878 0.736 . . . . 0.0 110.037 177.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . 0.462 ' HG2' ' HB3' ' A' ' 20' ' ' LEU . 82.1 mt-30 -55.62 -53.51 55.59 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 123.269 0.628 . . . . 0.0 111.476 177.02 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . 0.409 HG12 ' O ' ' B' ' 16' ' ' VAL . 48.6 mm -58.93 -37.29 66.35 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.769 177.575 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.25 -40.19 96.74 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.425 178.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . 0.569 HG12 ' O ' ' B' ' 18' ' ' ALA . 45.2 mm -59.87 -54.36 35.72 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.686 0 O-C-N 123.779 0.674 . . . . 0.0 109.538 177.188 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 77.9 m -74.68 -24.4 58.78 Favored 'General case' 0 C--N 1.304 -1.389 0 CA-C-N 115.27 -0.877 . . . . 0.0 112.018 -171.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.91 -21.24 59.68 Favored Glycine 0 C--N 1.279 -2.603 0 CA-C-N 115.107 -0.951 . . . . 0.0 112.235 176.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 41.8 tpp -148.44 79.67 1.44 Allowed 'General case' 0 N--CA 1.428 -1.542 0 CA-C-O 122.056 0.931 . . . . 0.0 111.825 -178.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 43.7 m -102.57 -0.13 32.54 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-N 114.867 -1.06 . . . . 0.0 109.399 173.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 3.1 m -85.5 -12.94 50.57 Favored 'General case' 0 C--N 1.288 -2.074 0 CA-C-O 122.672 1.225 . . . . 0.0 110.163 -176.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' TRP . . . . . . . . . . . . . 66.2 t-105 -71.73 138.45 48.5 Favored 'General case' 0 C--N 1.275 -2.651 0 CA-C-N 113.824 -1.534 . . . . 0.0 109.262 178.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 15.5 m -66.15 -69.34 0.31 Allowed 'General case' 0 C--N 1.315 -0.931 0 O-C-N 123.213 0.32 . . . . 0.0 110.566 179.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.87 0 O-C-N 122.345 -0.222 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.985 0 CA-C-O 122.025 0.917 . . . . 0.0 110.096 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.468 ' HB3' ' CE1' ' A' ' 23' ' ' PHE . 98.2 mt -62.69 -43.54 98.54 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-N 113.557 -1.656 . . . . 0.0 111.408 -177.162 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -72.7 -46.81 51.77 Favored 'General case' 0 C--N 1.306 -1.308 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.674 179.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 17.9 m -53.93 -43.85 70.14 Favored 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 114.875 -1.057 . . . . 0.0 111.559 177.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.38 -45.72 93.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.866 0.365 . . . . 0.0 110.255 178.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 44.7 tp -63.67 -43.35 96.95 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.152 178.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.486 ' HA ' ' CD2' ' B' ' 15' ' ' LEU . . . -56.76 -46.84 81.19 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.18 -179.552 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -70.58 -44.79 66.63 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.852 179.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 58.2 tttp -60.12 -48.13 82.99 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.654 -0.248 . . . . 0.0 111.549 -177.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.496 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 6.3 t -70.1 -30.0 67.1 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-O 120.846 0.355 . . . . 0.0 110.252 -177.485 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 22.7 t -72.97 -39.66 65.94 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.909 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 30.4 m-70 -81.26 -55.55 4.65 Favored 'General case' 0 CA--C 1.512 -0.495 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -178.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 19.1 m -112.04 -51.58 5.79 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.483 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 -177.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.496 ' C ' ' HA ' ' A' ' 10' ' ' CYS . . . 149.15 170.54 16.9 Favored Glycine 0 C--N 1.296 -1.694 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.7 p -139.59 158.77 43.57 Favored 'General case' 0 C--N 1.292 -1.898 0 CA-C-O 120.927 0.394 . . . . 0.0 110.585 -178.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.55 ' O ' HD13 ' A' ' 20' ' ' LEU . 8.8 p -93.29 144.73 25.03 Favored 'General case' 0 N--CA 1.404 -2.746 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.348 178.45 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.497 ' HB2' ' HB3' ' B' ' 6' ' ' GLU . 37.3 tptt -61.63 -35.8 78.96 Favored 'General case' 0 C--N 1.299 -1.594 0 C-N-CA 124.065 0.946 . . . . 0.0 109.534 -175.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.428 ' HG3' ' O ' ' B' ' 4' ' ' MET . 71.8 mtm180 -65.21 -27.7 68.87 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-O 121.018 0.437 . . . . 0.0 109.976 174.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.447 ' O ' ' HG2' ' A' ' 22' ' ' ARG . 16.1 t -76.81 -40.39 48.2 Favored 'General case' 0 N--CA 1.414 -2.24 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.003 -176.729 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.55 HD13 ' O ' ' A' ' 16' ' ' THR . 0.7 OUTLIER -69.49 -29.89 67.63 Favored 'General case' 0 CA--C 1.506 -0.725 0 C-N-CA 118.151 -1.42 . . . . 0.0 108.349 175.62 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.414 ' HA ' HG22 ' B' ' 22' ' ' ILE . . . -68.14 -36.16 79.24 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 115.135 -0.939 . . . . 0.0 112.448 178.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.447 ' HG2' ' O ' ' A' ' 19' ' ' SER . 20.6 ptt180 -77.02 -21.97 53.77 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.06 0.457 . . . . 0.0 111.048 -177.702 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.468 ' CE1' ' HB3' ' A' ' 2' ' ' LEU . 57.4 m-85 -95.31 -45.09 7.29 Favored 'General case' 0 C--N 1.311 -1.104 0 C-N-CA 120.424 -0.511 . . . . 0.0 111.079 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 39.6 t 67.82 87.18 0.12 Allowed 'General case' 0 C--N 1.306 -1.3 0 O-C-N 124.654 1.221 . . . . 0.0 111.068 176.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.849 0 CA-C-N 116.109 -0.496 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 . . . . . 0 N--CA 1.485 1.316 0 N-CA-C 112.481 0.549 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 19.9 m -67.38 -12.57 60.55 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-O 122.48 1.133 . . . . 0.0 111.803 -178.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' TRP . . . . . . . . . . . . . 32.1 p-90 -80.96 -9.59 59.82 Favored 'General case' 0 C--N 1.284 -2.244 0 CA-C-N 114.149 -1.387 . . . . 0.0 110.255 176.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' MET . . . . . 0.466 ' O ' ' HB3' ' A' ' 17' ' ' LYS . 45.4 ttp -94.53 -31.29 13.98 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.53 -175.32 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -82.6 87.3 6.71 Favored 'General case' 0 C--N 1.312 -1.034 0 N-CA-C 105.401 -2.074 . . . . 0.0 105.401 170.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . 0.484 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 31.2 tt0 -159.81 163.21 34.71 Favored 'General case' 0 N--CA 1.42 -1.937 0 N-CA-C 107.199 -1.408 . . . . 0.0 107.199 -171.317 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 6.7 p -140.2 128.66 25.83 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.366 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 177.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -131.4 165.05 32.7 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 -177.722 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -126.84 90.46 3.16 Favored 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 176.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 10.9 mp -119.95 175.36 5.94 Favored 'General case' 0 CA--C 1.485 -1.554 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.211 -178.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 56.7 m -152.47 163.19 40.04 Favored 'General case' 0 C--N 1.297 -1.709 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 -177.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 45.47 -122.1 5.28 Favored Glycine 0 CA--C 1.498 -0.972 0 O-C-N 124.635 1.21 . . . . 0.0 115.673 172.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . 0.482 ' O ' ' HG2' ' B' ' 17' ' ' ARG . 55.7 ttp180 -62.82 -39.09 93.23 Favored 'General case' 0 C--N 1.304 -1.407 0 CA-C-N 114.155 -1.022 . . . . 0.0 110.75 -178.266 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -69.77 -31.66 69.73 Favored 'General case' 0 CA--C 1.499 -0.992 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 -175.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.545 ' O ' ' HG3' ' B' ' 19' ' ' GLN . 12.9 tp -68.15 -42.11 80.58 Favored 'General case' 0 N--CA 1.436 -1.152 0 CA-C-N 114.866 -1.061 . . . . 0.0 108.798 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 98.8 t -70.87 -36.56 64.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.535 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . 0.482 ' HG2' ' O ' ' B' ' 13' ' ' ARG . 12.1 mmt85 -59.66 -42.92 93.91 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.57 175.662 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . 0.473 ' O ' HG13 ' B' ' 22' ' ' ILE . . . -64.36 -44.84 90.17 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.571 177.602 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . 0.545 ' HG3' ' O ' ' B' ' 15' ' ' LEU . 94.4 mt-30 -54.67 -59.6 4.49 Favored 'General case' 0 C--O 1.22 -0.468 0 C-N-CA 124.215 1.006 . . . . 0.0 111.207 177.377 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 80.5 mt -53.79 -36.55 30.11 Favored 'Isoleucine or valine' 0 C--O 1.249 1.061 0 C-N-CA 124.024 0.929 . . . . 0.0 111.273 178.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.68 -26.9 65.53 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.451 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . 0.473 HG13 ' O ' ' B' ' 18' ' ' ALA . 75.5 mt -88.52 -30.45 5.41 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.113 0 CA-C-O 121.278 0.561 . . . . 0.0 109.696 177.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 79.9 m -74.48 -24.6 59.04 Favored 'General case' 0 CA--C 1.508 -0.664 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.613 -176.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -111.96 -96.22 2.29 Favored Glycine 0 N--CA 1.413 -2.895 0 N-CA-C 107.118 -2.393 . . . . 0.0 107.118 170.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 15.2 tpt 179.09 92.29 0.02 OUTLIER 'General case' 0 C--N 1.298 -1.666 0 C-N-CA 124.183 0.993 . . . . 0.0 109.324 174.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 35.3 t -138.95 14.22 2.66 Favored 'General case' 0 C--N 1.283 -2.305 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 176.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 19.5 m -70.9 -35.22 72.2 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 122.894 1.33 . . . . 0.0 108.012 177.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' TRP . . . . . . . . . . . . . 95.7 m95 -154.53 178.53 9.97 Favored 'General case' 0 C--N 1.276 -2.589 0 CA-C-N 111.856 -2.429 . . . . 0.0 105.601 178.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 15.7 m -77.28 99.27 5.45 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 123.453 0.471 . . . . 0.0 110.054 179.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.31 -1.118 0 CA-C-N 116.665 -0.243 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.75 0 CA-C-O 121.961 0.886 . . . . 0.0 109.817 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 95.0 mt -66.71 -27.23 67.46 Favored 'General case' 0 C--N 1.294 -1.821 0 CA-C-N 113.961 -1.472 . . . . 0.0 113.165 -175.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -76.36 -40.18 51.81 Favored 'General case' 0 C--N 1.296 -1.739 0 C-N-CA 120.294 -0.562 . . . . 0.0 110.075 179.191 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 46.5 m -71.42 -37.6 71.47 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.419 176.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.02 -52.11 66.76 Favored 'General case' 0 C--O 1.209 -1.053 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.667 177.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.411 HD11 ' HG ' ' A' ' 19' ' ' SER . 59.1 tp -56.93 -42.61 80.33 Favored 'General case' 0 C--N 1.33 -0.271 0 O-C-N 123.577 0.548 . . . . 0.0 110.41 178.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.452 ' HA ' ' CD2' ' B' ' 15' ' ' LEU . . . -57.98 -53.76 54.62 Favored 'General case' 0 C--O 1.246 0.904 0 CA-C-O 120.937 0.398 . . . . 0.0 111.007 179.405 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.626 ' O ' ' HD2' ' A' ' 12' ' ' HIS . 40.7 m-80 -66.31 -55.93 13.65 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.677 179.642 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -54.55 -44.74 73.14 Favored 'General case' 0 C--N 1.311 -1.068 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 -175.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.478 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 9.9 t -73.08 -27.03 61.49 Favored 'General case' 0 C--N 1.307 -1.271 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 -178.644 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 8.7 t -75.83 -34.71 60.12 Favored 'General case' 0 N--CA 1.441 -0.909 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.524 178.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.626 ' HD2' ' O ' ' A' ' 8' ' ' ASN . 48.3 m-70 -86.47 -58.39 2.64 Favored 'General case' 0 CA--C 1.499 -1.01 0 CA-C-O 121.713 0.768 . . . . 0.0 111.081 -179.287 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -104.97 -39.38 5.24 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.0 0 CA-C-N 114.797 -1.092 . . . . 0.0 111.85 -171.089 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.478 ' C ' ' HA ' ' A' ' 10' ' ' CYS . . . 122.73 170.41 13.57 Favored Glycine 0 N--CA 1.435 -1.389 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.428 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.457 ' SG ' HD12 ' A' ' 20' ' ' LEU . 26.1 p -144.46 158.9 43.53 Favored 'General case' 0 C--N 1.291 -1.964 0 CA-C-O 120.923 0.392 . . . . 0.0 110.435 -178.702 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.537 ' O ' HD11 ' A' ' 20' ' ' LEU . 17.3 p -86.68 144.53 27.08 Favored 'General case' 0 N--CA 1.401 -2.91 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.624 178.008 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.484 ' HB2' ' HB3' ' B' ' 6' ' ' GLU . 9.5 tptm -62.7 -34.39 77.06 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 -179.294 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.4 mmm180 -58.29 -31.57 67.61 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.44 172.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.411 ' HG ' HD11 ' A' ' 6' ' ' LEU . 47.4 t -73.6 -47.5 39.83 Favored 'General case' 0 N--CA 1.431 -1.423 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 -177.618 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.537 HD11 ' O ' ' A' ' 16' ' ' THR . 0.8 OUTLIER -68.77 -27.01 65.51 Favored 'General case' 0 CA--C 1.507 -0.695 0 C-N-CA 119.014 -1.075 . . . . 0.0 109.257 179.749 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.15 -40.15 82.47 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.814 176.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 27.4 tpt180 -67.25 -27.92 67.62 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.738 -178.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -95.68 -50.26 5.01 Favored 'General case' 0 C--N 1.303 -1.433 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.655 -179.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 52.0 t 67.28 96.26 0.06 Allowed 'General case' 0 C--N 1.304 -1.412 0 C-N-CA 124.598 1.159 . . . . 0.0 110.692 -177.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.096 0 CA-C-N 116.033 -0.53 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 . . . . . 0 CA--C 1.504 -0.804 0 N-CA-C 111.459 0.17 . . . . 0.0 111.459 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 50.5 m -52.24 -18.07 1.38 Allowed 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 114.397 1.258 . . . . 0.0 114.397 -179.258 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' TRP . . . . . . . . . . . . . 14.8 p-90 -67.44 -10.7 53.89 Favored 'General case' 0 C--N 1.289 -2.056 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.532 175.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 27.5 ptt? -67.79 -31.04 70.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 122.249 -0.282 . . . . 0.0 111.036 -179.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -94.81 17.82 12.92 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.234 -176.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . 0.452 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 23.4 tt0 -85.07 148.38 26.18 Favored 'General case' 0 N--CA 1.413 -2.285 0 N-CA-C 106.826 -1.546 . . . . 0.0 106.826 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 4.9 p -143.14 122.76 8.97 Favored 'Isoleucine or valine' 0 C--N 1.256 -3.494 0 CA-C-N 114.999 -1.0 . . . . 0.0 109.204 -179.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . 0.454 ' HB ' HD11 ' B' ' 10' ' ' LEU . 0.2 OUTLIER -126.22 158.32 35.98 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.681 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.979 -176.208 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -116.26 75.24 0.94 Allowed 'General case' 0 N--CA 1.438 -1.037 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 178.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.454 HD11 ' HB ' ' B' ' 8' ' ' ILE . 9.8 mp -111.43 175.87 5.25 Favored 'General case' 0 CA--C 1.475 -1.934 0 CA-C-N 114.935 -1.03 . . . . 0.0 109.414 -179.475 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 45.7 t -156.39 164.17 38.6 Favored 'General case' 0 C--N 1.276 -2.627 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 -176.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 46.53 -123.52 7.3 Favored Glycine 0 C--N 1.303 -1.264 0 O-C-N 124.775 1.297 . . . . 0.0 115.592 178.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -67.41 -24.18 65.63 Favored 'General case' 0 C--N 1.306 -1.291 0 CA-C-N 114.05 -1.075 . . . . 0.0 111.433 -177.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -72.04 -32.48 67.16 Favored 'General case' 0 N--CA 1.432 -1.343 0 C-N-CA 120.449 -0.5 . . . . 0.0 110.368 177.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 79.2 mt -63.21 -41.28 99.13 Favored 'General case' 0 CA--C 1.491 -1.291 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 173.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 43.0 t -62.04 -41.81 92.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 O-C-N 123.701 0.626 . . . . 0.0 109.689 178.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -57.37 -53.35 59.1 Favored 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 177.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.53 -38.72 85.33 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 114.162 -1.381 . . . . 0.0 111.853 179.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . 0.539 ' O ' HG22 ' B' ' 22' ' ' ILE . 87.4 mt-30 -63.92 -51.18 65.66 Favored 'General case' 0 C--N 1.315 -0.91 0 C-N-CA 123.608 0.763 . . . . 0.0 110.936 176.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 77.2 mt -60.67 -28.15 42.19 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.211 0 CA-C-O 121.491 0.662 . . . . 0.0 109.796 175.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.11 -21.67 53.9 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.534 177.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . 0.539 HG22 ' O ' ' B' ' 19' ' ' GLN . 0.1 OUTLIER -89.69 -49.21 14.04 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.031 0 C-N-CA 120.22 -0.592 . . . . 0.0 109.42 176.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 71.8 m -76.19 -24.34 54.71 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 112.797 0.666 . . . . 0.0 112.797 -175.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -108.75 36.37 4.39 Favored Glycine 0 C--N 1.284 -2.306 0 C-N-CA 121.043 -0.598 . . . . 0.0 112.865 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 12.8 tpt -143.87 73.5 1.39 Allowed 'General case' 0 C--N 1.314 -0.95 0 CA-C-O 122.092 0.949 . . . . 0.0 109.932 178.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 20.4 m -104.14 20.69 17.82 Favored 'General case' 0 C--N 1.292 -1.93 0 CA-C-N 114.657 -1.156 . . . . 0.0 110.014 -179.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 8.1 m -73.4 -18.54 61.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 122.646 1.212 . . . . 0.0 109.771 178.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' TRP . . . . . 0.439 ' C ' ' HG ' ' B' ' 29' ' ' SER . 24.7 m95 -91.61 120.66 32.59 Favored 'General case' 0 C--N 1.281 -2.378 0 CA-C-N 113.956 -1.475 . . . . 0.0 107.768 177.234 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.439 ' HG ' ' C ' ' B' ' 28' ' ' TRP . 44.2 m -153.81 90.89 1.41 Allowed 'General case' 0 C--N 1.302 -1.469 0 CA-C-O 121.395 0.617 . . . . 0.0 109.884 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.471 0 CA-C-N 116.234 -0.439 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.001 0 CA-C-O 120.48 0.181 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 94.5 mt -69.54 -25.6 64.09 Favored 'General case' 0 CA--C 1.485 -1.538 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 -177.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -75.65 -43.94 45.13 Favored 'General case' 0 N--CA 1.404 -2.76 0 C-N-CA 118.278 -1.369 . . . . 0.0 110.745 178.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.7 m -62.22 -36.71 82.79 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.366 178.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.21 -44.14 97.75 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.723 177.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 32.7 tp -61.46 -51.04 70.35 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 176.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.5 -45.75 69.8 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 114.906 -1.043 . . . . 0.0 111.673 -177.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -70.15 -39.6 75.27 Favored 'General case' 0 C--O 1.207 -1.147 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.141 178.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 26.2 tptp -61.99 -50.75 70.84 Favored 'General case' 0 C--N 1.311 -1.094 0 C-N-CA 122.722 0.409 . . . . 0.0 110.644 -176.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.403 ' HA ' ' CA ' ' A' ' 14' ' ' GLY . 29.6 m -65.62 -37.19 85.88 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-O 120.955 0.407 . . . . 0.0 110.147 -179.697 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 34.7 t -69.56 -40.45 76.79 Favored 'General case' 0 C--O 1.247 0.967 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.207 -177.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 25.9 m170 -79.95 -54.05 6.17 Favored 'General case' 0 CA--C 1.499 -0.981 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.569 -176.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 18.2 m -117.99 -49.48 4.02 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.775 0 N-CA-C 112.605 0.594 . . . . 0.0 112.605 -177.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.403 ' CA ' ' HA ' ' A' ' 10' ' ' CYS . . . 140.63 173.2 13.31 Favored Glycine 0 C--N 1.291 -1.926 0 N-CA-C 110.753 -0.939 . . . . 0.0 110.753 178.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.0 p -153.99 161.61 41.83 Favored 'General case' 0 C--N 1.293 -1.869 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 178.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.516 ' O ' HD13 ' A' ' 20' ' ' LEU . 22.7 p -81.18 153.53 27.16 Favored 'General case' 0 N--CA 1.408 -2.557 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.563 179.552 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.452 ' HB2' ' HB3' ' B' ' 6' ' ' GLU . 16.1 tptm -61.99 -31.37 71.73 Favored 'General case' 0 C--N 1.283 -2.316 0 C-N-CA 123.668 0.787 . . . . 0.0 110.367 -176.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 25.4 mmm180 -74.82 -21.06 59.5 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.254 175.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.8 t -74.34 -38.8 63.15 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 178.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.516 HD13 ' O ' ' A' ' 16' ' ' THR . 2.7 mp -71.75 -34.37 69.44 Favored 'General case' 0 CA--C 1.497 -1.062 0 C-N-CA 118.729 -1.188 . . . . 0.0 108.424 174.14 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.99 -34.98 70.58 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.334 -0.848 . . . . 0.0 113.06 179.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 -82.65 5.41 21.21 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 -177.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -129.36 -55.15 1.17 Allowed 'General case' 0 C--N 1.31 -1.134 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 175.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 9.5 t 48.51 84.07 0.03 OUTLIER 'General case' 0 C--N 1.312 -1.048 0 C-N-CA 125.962 1.705 . . . . 0.0 112.165 175.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.31 -1.14 0 O-C-N 121.91 -0.494 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 19.2 p-10 . . . . . 0 N--CA 1.471 0.61 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.603 ' O ' ' HG2' ' B' ' 6' ' ' GLU . 45.6 t -71.32 124.98 25.77 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-O 121.687 0.756 . . . . 0.0 110.536 177.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' TRP . . . . . 0.426 ' CD1' ' HA ' ' B' ' 27' ' ' THR . 73.6 m95 -63.57 -21.7 66.49 Favored 'General case' 0 C--N 1.292 -1.896 0 CA-C-N 113.552 -1.658 . . . . 0.0 114.143 -169.303 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' MET . . . . . 0.415 ' HG2' ' NH2' ' A' ' 18' ' ' ARG . 65.5 mtt -85.04 -9.5 57.93 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-O 120.661 0.267 . . . . 0.0 111.338 -179.739 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -125.68 18.81 8.0 Favored 'General case' 0 C--O 1.244 0.771 0 CA-C-O 120.691 0.281 . . . . 0.0 111.069 -174.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . 0.603 ' HG2' ' O ' ' B' ' 2' ' ' SER . 20.8 mm-40 -95.09 118.08 31.28 Favored 'General case' 0 C--N 1.303 -1.436 0 CA-C-O 121.633 0.73 . . . . 0.0 111.853 -176.221 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.4 p -140.77 129.61 24.98 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.635 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 174.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 22.4 pt -131.76 164.25 35.1 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 CA-C-O 121.171 0.51 . . . . 0.0 110.498 -176.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -136.82 91.59 2.65 Favored 'General case' 0 C--N 1.292 -1.901 0 CA-C-N 114.795 -1.093 . . . . 0.0 108.191 176.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 9.2 mp -125.89 175.6 7.56 Favored 'General case' 0 CA--C 1.485 -1.533 0 CA-C-N 114.359 -1.292 . . . . 0.0 108.95 -176.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' CYS . . . . . 0.453 ' O ' ' HB2' ' B' ' 14' ' ' GLU . 39.3 m -148.48 164.12 35.13 Favored 'General case' 0 C--N 1.293 -1.867 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 -178.61 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 49.95 -127.99 25.1 Favored Glycine 0 C--O 1.239 0.42 0 N-CA-C 115.047 0.779 . . . . 0.0 115.047 174.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 26.0 mmt180 -63.83 -23.94 67.55 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.139 -0.53 . . . . 0.0 111.738 -179.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . 0.453 ' HB2' ' O ' ' B' ' 11' ' ' CYS . 23.4 mm-40 -69.58 -35.58 75.49 Favored 'General case' 0 N--CA 1.436 -1.149 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 -179.385 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 88.9 mt -67.07 -42.19 85.12 Favored 'General case' 0 C--O 1.211 -0.946 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.818 175.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . 0.457 ' O ' HG12 ' B' ' 20' ' ' ILE . 47.0 t -65.73 -42.19 91.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 123.809 0.693 . . . . 0.0 110.234 -178.031 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . 0.464 ' HA ' ' NE ' ' B' ' 17' ' ' ARG . 0.2 OUTLIER -57.03 -52.47 65.14 Favored 'General case' 0 C--O 1.243 0.762 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 178.616 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.79 -45.43 92.34 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 113.951 -1.477 . . . . 0.0 110.938 178.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . 0.461 ' O ' HG22 ' B' ' 22' ' ' ILE . 74.3 mt-30 -57.78 -51.81 68.06 Favored 'General case' 0 C--N 1.318 -0.776 0 C-N-CA 124.033 0.933 . . . . 0.0 112.549 178.432 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . 0.457 HG12 ' O ' ' B' ' 16' ' ' VAL . 48.1 mm -58.35 -46.56 89.14 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.349 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.048 178.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.21 -43.14 95.94 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.187 0.517 . . . . 0.0 110.722 -179.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . 0.587 ' CG1' ' HG3' ' A' ' 17' ' ' LYS . 0.3 OUTLIER -69.81 -28.15 35.91 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.974 0 CA-C-O 121.773 0.797 . . . . 0.0 110.021 -178.428 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 2.9 t -79.38 -20.03 48.69 Favored 'General case' 0 C--N 1.29 -2.005 0 CA-C-O 121.344 0.592 . . . . 0.0 109.565 -178.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -93.7 -16.12 46.85 Favored Glycine 0 N--CA 1.438 -1.211 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.913 177.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -148.45 80.88 1.46 Allowed 'General case' 0 CA--C 1.502 -0.9 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 -179.256 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 19.3 m -81.83 -17.14 48.5 Favored 'General case' 0 C--N 1.3 -1.566 0 CA-C-O 121.75 0.786 . . . . 0.0 112.158 -178.018 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' THR . . . . . 0.426 ' HA ' ' CD1' ' B' ' 3' ' ' TRP . 6.9 m -162.03 173.21 14.71 Favored 'General case' 0 C--N 1.265 -3.086 0 N-CA-C 103.977 -2.601 . . . . 0.0 103.977 178.64 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' TRP . . . . . . . . . . . . . 89.2 m95 -79.1 127.41 31.97 Favored 'General case' 0 C--N 1.286 -2.162 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 178.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 17.6 m -94.06 94.11 8.22 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-O 121.047 0.451 . . . . 0.0 110.295 -179.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.309 -1.187 0 O-C-N 122.267 -0.27 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.72 0 CA-C-O 120.703 0.287 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 91.9 mt -71.68 -22.0 61.72 Favored 'General case' 0 CA--C 1.483 -1.627 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 -177.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -59.28 -47.99 83.29 Favored 'General case' 0 N--CA 1.415 -2.185 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 171.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.1 m -68.99 -33.12 73.15 Favored 'General case' 0 C--O 1.248 0.985 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.616 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.1 -43.11 99.41 Favored 'General case' 0 C--O 1.242 0.665 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.215 176.304 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 35.8 tp -63.53 -44.87 92.97 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.623 176.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.13 -48.69 70.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.511 -178.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -64.85 -40.66 95.51 Favored 'General case' 0 C--O 1.204 -1.337 0 C-N-CA 120.843 -0.343 . . . . 0.0 111.185 177.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.5 tmtm? -61.72 -48.78 79.19 Favored 'General case' 0 C--N 1.307 -1.277 0 C-N-CA 123.005 0.522 . . . . 0.0 110.689 -178.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 34.9 m -71.89 -26.54 62.37 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 122.456 -0.153 . . . . 0.0 111.063 -179.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 45.0 t -79.51 -39.47 31.93 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-O 120.771 0.32 . . . . 0.0 110.473 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -77.24 -53.3 7.89 Favored 'General case' 0 CA--C 1.497 -1.089 0 CA-C-O 120.929 0.395 . . . . 0.0 111.622 -176.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.7 m -117.18 -46.16 3.74 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 CA-C-N 115.39 -0.823 . . . . 0.0 112.492 -177.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 125.35 163.54 11.63 Favored Glycine 0 C--N 1.292 -1.885 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 178.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.8 p -147.12 164.13 34.07 Favored 'General case' 0 C--N 1.294 -1.845 0 N-CA-C 110.043 -0.355 . . . . 0.0 110.043 -177.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.496 ' O ' HD13 ' A' ' 20' ' ' LEU . 8.1 p -74.5 153.02 39.29 Favored 'General case' 0 N--CA 1.396 -3.16 0 CA-C-N 115.619 -0.718 . . . . 0.0 109.689 176.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.587 ' HG3' ' CG1' ' B' ' 22' ' ' ILE . 18.4 tptm -67.37 -29.37 68.89 Favored 'General case' 0 C--N 1.281 -2.405 0 N-CA-C 108.069 -1.086 . . . . 0.0 108.069 -178.335 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.415 ' NH2' ' HG2' ' B' ' 4' ' ' MET . 94.9 mtt180 -65.61 -26.67 67.93 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.705 172.214 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.42 ' O ' ' HD1' ' A' ' 23' ' ' PHE . 31.8 t -73.9 -39.66 63.71 Favored 'General case' 0 N--CA 1.43 -1.451 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 -179.533 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.496 HD13 ' O ' ' A' ' 16' ' ' THR . 1.6 mp -73.78 -29.3 62.12 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 118.985 -1.086 . . . . 0.0 108.921 175.477 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.97 -34.46 73.32 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 115.229 -0.896 . . . . 0.0 112.675 178.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.8 ptt180 -86.0 6.41 28.85 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-O 121.094 0.473 . . . . 0.0 112.23 -179.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.42 ' HD1' ' O ' ' A' ' 19' ' ' SER . 70.5 m-85 -121.89 -62.03 1.44 Allowed 'General case' 0 CA--C 1.505 -0.778 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.485 177.143 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 68.3 m 71.3 -73.15 0.1 Allowed 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.437 1.095 . . . . 0.0 111.544 -176.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.906 0 O-C-N 121.93 -0.481 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 . . . . . 0 N--CA 1.481 1.121 0 N-CA-C 113.331 0.864 . . . . 0.0 113.331 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.568 ' O ' ' HG2' ' B' ' 6' ' ' GLU . 9.3 m -68.7 128.09 35.39 Favored 'General case' 0 C--O 1.207 -1.157 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 177.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' TRP . . . . . 0.49 ' HD1' ' CD1' ' B' ' 28' ' ' TRP . 75.8 m95 -65.12 -24.06 67.31 Favored 'General case' 0 C--N 1.294 -1.833 0 N-CA-C 115.436 1.643 . . . . 0.0 115.436 -165.418 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 51.1 tpp -80.61 -46.3 15.9 Favored 'General case' 0 C--N 1.31 -1.118 0 C-N-CA 118.859 -1.136 . . . . 0.0 110.671 -178.144 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -108.9 91.8 3.79 Favored 'General case' 0 C--N 1.3 -1.563 0 CA-C-O 121.567 0.699 . . . . 0.0 111.601 -178.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . 0.568 ' HG2' ' O ' ' B' ' 2' ' ' SER . 15.8 mm-40 -146.85 125.43 12.48 Favored 'General case' 0 C--N 1.304 -1.404 0 CA-C-N 114.71 -1.132 . . . . 0.0 110.845 -177.733 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . 0.433 ' HA ' ' O ' ' A' ' 15' ' ' CYS . 5.5 p -150.89 108.43 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.293 -1.884 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 175.545 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 34.4 pt -133.94 173.17 15.08 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.692 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 -176.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -115.65 139.58 49.99 Favored 'General case' 0 C--N 1.291 -1.948 0 O-C-N 123.809 0.693 . . . . 0.0 109.14 175.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.615 ' CD1' ' HA ' ' B' ' 15' ' ' LEU . 0.3 OUTLIER -155.09 166.0 34.95 Favored 'General case' 0 C--N 1.291 -1.946 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 -179.44 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' CYS . . . . . 0.496 ' CA ' ' HG ' ' B' ' 15' ' ' LEU . 57.5 m -156.1 158.68 38.15 Favored 'General case' 0 C--N 1.284 -2.27 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 -172.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 47.21 -121.64 6.47 Favored Glycine 0 C--O 1.257 1.585 0 O-C-N 124.486 1.116 . . . . 0.0 115.632 176.167 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . 0.583 ' O ' ' HD3' ' B' ' 17' ' ' ARG . 95.6 mtt180 -63.01 -38.32 90.71 Favored 'General case' 0 C--N 1.308 -1.225 0 CA-C-N 113.679 -1.26 . . . . 0.0 109.262 -178.715 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . 0.465 ' O ' HD11 ' B' ' 10' ' ' LEU . 47.7 mt-10 -61.86 -37.43 84.51 Favored 'General case' 0 C--O 1.245 0.854 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.191 179.577 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.615 ' HA ' ' CD1' ' B' ' 10' ' ' LEU . 26.4 mt -61.06 -42.69 98.97 Favored 'General case' 0 C--N 1.36 1.037 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 95.5 t -68.01 -43.72 85.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 114.252 -1.34 . . . . 0.0 110.621 -177.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . 0.583 ' HD3' ' O ' ' B' ' 13' ' ' ARG . 6.8 mpt_? -53.92 -45.21 71.13 Favored 'General case' 0 C--N 1.32 -0.704 0 O-C-N 123.704 0.628 . . . . 0.0 112.114 179.734 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . 0.586 ' O ' HG13 ' B' ' 22' ' ' ILE . . . -74.93 -46.29 36.76 Favored 'General case' 0 C--N 1.307 -1.278 0 C-N-CA 120.382 -0.527 . . . . 0.0 110.577 179.077 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . 0.464 ' HG2' ' HB3' ' A' ' 20' ' ' LEU . 70.0 mt-30 -54.67 -54.56 40.09 Favored 'General case' 0 CA--C 1.517 -0.307 0 O-C-N 123.386 0.429 . . . . 0.0 111.994 -179.059 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 46.3 mm -63.43 -36.17 75.2 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.1 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.128 -179.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.54 -48.6 78.8 Favored 'General case' 0 C--O 1.22 -0.475 0 CA-C-N 116.773 -0.194 . . . . 0.0 110.754 178.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . 0.586 HG13 ' O ' ' B' ' 18' ' ' ALA . 25.0 mt -69.1 -28.32 38.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 CA-C-O 121.787 0.803 . . . . 0.0 109.761 -179.242 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 8.7 t -75.19 -22.12 58.23 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-N 115.031 -0.986 . . . . 0.0 109.868 -175.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -103.82 -31.7 4.71 Favored Glycine 0 N--CA 1.446 -0.676 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 176.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 23.6 mmt -106.69 62.04 0.63 Allowed 'General case' 0 C--N 1.311 -1.073 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 179.105 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 42.2 m -82.45 30.7 0.41 Allowed 'General case' 0 C--N 1.293 -1.882 0 CA-C-N 114.137 -1.392 . . . . 0.0 111.891 -179.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 4.2 m -142.4 173.9 11.11 Favored 'General case' 0 N--CA 1.403 -2.821 0 N-CA-C 103.304 -2.85 . . . . 0.0 103.304 179.067 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' TRP . . . . . 0.49 ' CD1' ' HD1' ' B' ' 3' ' ' TRP . 25.5 m-90 -81.61 77.35 8.47 Favored 'General case' 0 C--N 1.275 -2.67 0 CA-C-O 121.532 0.682 . . . . 0.0 109.753 178.047 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 13.3 m -114.12 91.55 3.67 Favored 'General case' 0 N--CA 1.425 -1.683 0 CA-C-N 114.475 -1.239 . . . . 0.0 108.376 -179.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.3 -1.562 0 CA-C-N 116.356 -0.383 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.128 0 N-CA-C 110.389 -0.226 . . . . 0.0 110.389 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 96.1 mt -69.38 -31.89 70.57 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.229 -179.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -59.51 -55.52 33.55 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 120.916 0.389 . . . . 0.0 110.894 176.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.9 m -65.43 -31.64 72.85 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.193 -179.013 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.77 -51.1 66.39 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 176.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 67.0 tp -58.48 -46.4 86.71 Favored 'General case' 0 CA--C 1.517 -0.295 0 O-C-N 123.716 0.635 . . . . 0.0 110.055 178.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.73 -51.88 61.92 Favored 'General case' 0 C--N 1.328 -0.362 0 O-C-N 123.728 0.643 . . . . 0.0 111.42 179.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -67.13 -48.43 68.11 Favored 'General case' 0 CA--C 1.51 -0.574 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -61.15 -44.69 96.93 Favored 'General case' 0 C--N 1.312 -1.044 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 -178.119 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.426 ' HA ' ' CA ' ' A' ' 14' ' ' GLY . 4.5 t -77.65 -16.69 58.37 Favored 'General case' 0 C--N 1.295 -1.791 0 CA-C-O 121.295 0.569 . . . . 0.0 110.124 -176.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.441 ' HA ' ' O ' ' B' ' 10' ' ' LEU . 42.0 t -81.15 -34.67 32.28 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-O 121.497 0.665 . . . . 0.0 110.013 176.305 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -89.23 -62.58 1.45 Allowed 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.914 -179.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 29.2 m -96.95 -51.77 10.08 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 CA-C-O 121.339 0.59 . . . . 0.0 111.338 -177.217 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.426 ' CA ' ' HA ' ' A' ' 10' ' ' CYS . . . 133.13 178.22 15.42 Favored Glycine 0 C--N 1.289 -2.06 0 N-CA-C 110.226 -1.15 . . . . 0.0 110.226 178.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.433 ' O ' ' HA ' ' B' ' 7' ' ' VAL . 29.9 p -159.3 165.82 32.6 Favored 'General case' 0 C--N 1.288 -2.102 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 -176.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.549 ' OG1' ' HB3' ' A' ' 19' ' ' SER . 40.4 p -72.21 145.17 48.18 Favored 'General case' 0 N--CA 1.397 -3.098 0 CA-C-O 122.064 0.935 . . . . 0.0 110.115 177.108 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.528 ' HB2' ' HB3' ' B' ' 6' ' ' GLU . 13.7 tptm -65.24 -30.64 71.55 Favored 'General case' 0 C--N 1.268 -2.965 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 39.1 mtm105 -71.58 -21.01 61.93 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.145 175.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.549 ' HB3' ' OG1' ' A' ' 16' ' ' THR . 23.2 p -74.81 -42.93 57.13 Favored 'General case' 0 N--CA 1.435 -1.194 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 179.513 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.464 ' HB3' ' HG2' ' B' ' 19' ' ' GLN . 11.0 mt -63.31 -40.67 97.98 Favored 'General case' 0 CA--C 1.491 -1.29 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 176.246 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.32 -37.66 67.68 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-N 114.073 -1.421 . . . . 0.0 112.59 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -89.43 9.27 27.0 Favored 'General case' 0 C--O 1.239 0.522 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 -177.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.432 ' HD2' ' O ' ' A' ' 19' ' ' SER . 71.5 m-85 -121.01 -53.12 2.06 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.16 175.792 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 50.8 t 59.89 79.38 0.24 Allowed 'General case' 0 CA--C 1.549 0.907 0 O-C-N 123.849 0.718 . . . . 0.0 111.298 178.185 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.314 -0.964 0 O-C-N 121.876 -0.515 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 . . . . . 0 N--CA 1.452 -0.358 0 CA-C-O 120.434 0.159 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.414 ' O ' ' HG3' ' B' ' 6' ' ' GLU . 12.8 p -87.14 98.39 11.27 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-O 121.499 0.666 . . . . 0.0 110.991 177.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' TRP . . . . . . . . . . . . . 57.0 m95 -56.73 -44.3 81.51 Favored 'General case' 0 C--N 1.292 -1.895 0 N-CA-C 114.565 1.32 . . . . 0.0 114.565 -171.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 72.2 mtm -76.56 -9.0 58.34 Favored 'General case' 0 C--N 1.313 -1.007 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -174.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -116.6 -20.49 9.56 Favored 'General case' 0 C--N 1.314 -0.947 0 N-CA-C 113.164 0.801 . . . . 0.0 113.164 -176.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . 0.44 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 32.6 mt-10 -64.36 119.8 11.02 Favored 'General case' 0 N--CA 1.438 -1.028 0 N-CA-C 114.861 1.43 . . . . 0.0 114.861 -177.107 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 3.4 p -133.81 107.93 11.01 Favored 'Isoleucine or valine' 0 C--N 1.271 -2.83 0 CA-C-N 112.715 -2.039 . . . . 0.0 105.945 172.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . 0.269 1.5 pp -119.52 171.93 7.2 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.977 0 N-CA-C 115.012 1.486 . . . . 0.0 115.012 -170.707 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 24.3 tptm -124.64 122.35 37.28 Favored 'General case' 0 C--N 1.293 -1.868 0 CA-C-N 113.926 -1.488 . . . . 0.0 107.993 -173.229 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.653 ' CD1' ' HA ' ' B' ' 15' ' ' LEU . 0.1 OUTLIER -167.44 169.9 11.82 Favored 'General case' 0 C--N 1.301 -1.535 0 C-N-CA 122.978 0.511 . . . . 0.0 109.757 -175.521 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' CYS . . . . . 0.428 ' CA ' ' HG ' ' B' ' 15' ' ' LEU . 62.7 m -157.45 163.0 38.96 Favored 'General case' 0 C--N 1.292 -1.932 0 N-CA-C 107.081 -1.452 . . . . 0.0 107.081 -178.309 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 46.53 -124.44 7.98 Favored Glycine 0 C--O 1.246 0.904 0 N-CA-C 115.821 1.088 . . . . 0.0 115.821 175.45 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 22.4 mtp180 -66.11 -29.87 70.27 Favored 'General case' 0 C--N 1.298 -1.639 0 CA-C-N 113.884 -1.158 . . . . 0.0 111.301 -177.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . 0.442 ' O ' HD12 ' B' ' 10' ' ' LEU . 9.3 mm-40 -66.01 -34.95 79.26 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.093 176.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.653 ' HA ' ' CD1' ' B' ' 10' ' ' LEU . 22.0 mt -63.4 -42.57 98.79 Favored 'General case' 0 C--N 1.35 0.593 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 178.433 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 44.1 t -66.82 -40.08 85.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 114.429 -1.26 . . . . 0.0 110.237 -177.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . 0.425 ' HD2' ' OE1' ' B' ' 14' ' ' GLU . 90.7 mtt180 -56.2 -46.1 79.58 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.813 -0.63 . . . . 0.0 112.506 177.219 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . 0.65 ' O ' HG13 ' B' ' 22' ' ' ILE . . . -68.89 -42.92 76.29 Favored 'General case' 0 C--N 1.305 -1.34 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.339 178.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . 0.468 ' HG2' ' HB3' ' A' ' 20' ' ' LEU . 93.0 mt-30 -52.28 -55.86 18.54 Favored 'General case' 0 C--O 1.241 0.614 0 C-N-CA 123.627 0.771 . . . . 0.0 111.243 178.226 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 80.7 mt -57.79 -42.18 81.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.875 178.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.89 -19.29 65.7 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.026 -0.534 . . . . 0.0 112.404 -179.014 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . 0.65 HG13 ' O ' ' B' ' 18' ' ' ALA . 66.8 mt -83.21 -55.37 7.42 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.19 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 178.331 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 11.8 m -74.73 -20.11 59.96 Favored 'General case' 0 C--N 1.309 -1.178 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -176.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -65.86 -24.85 71.67 Favored Glycine 0 C--N 1.298 -1.536 0 CA-C-N 115.362 -0.835 . . . . 0.0 111.487 171.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 24.2 ptm -145.59 65.02 1.24 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 122.108 0.956 . . . . 0.0 110.234 178.047 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 7.1 p -83.79 66.96 9.34 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-O 122.241 1.02 . . . . 0.0 111.269 -177.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 1.9 p -142.61 139.7 31.4 Favored 'General case' 0 N--CA 1.402 -2.85 0 CA-C-N 113.74 -1.573 . . . . 0.0 107.186 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' TRP . . . . . . . . . . . . . 74.6 t90 -75.9 -12.99 60.26 Favored 'General case' 0 C--N 1.297 -1.71 0 CA-C-O 122.628 1.204 . . . . 0.0 110.822 -176.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 39.1 t -120.03 83.36 2.04 Favored 'General case' 0 C--N 1.255 -3.527 0 CA-C-N 113.876 -1.511 . . . . 0.0 107.643 176.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.775 0 CA-C-N 116.183 -0.462 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.008 0 CA-C-O 122.232 1.015 . . . . 0.0 109.764 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 46.4 tp -69.69 -27.01 64.64 Favored 'General case' 0 C--N 1.298 -1.64 0 CA-C-N 113.918 -1.492 . . . . 0.0 112.373 -174.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -78.31 -37.34 44.95 Favored 'General case' 0 N--CA 1.424 -1.742 0 C-N-CA 117.491 -1.683 . . . . 0.0 110.371 178.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 29.7 m -64.97 -45.4 85.83 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.739 176.224 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.85 -43.32 93.39 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.733 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.605 HD12 ' SG ' ' A' ' 15' ' ' CYS . 55.0 tp -48.68 -56.67 7.88 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 124.093 0.957 . . . . 0.0 112.282 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.56 -45.11 81.42 Favored 'General case' 0 CA--C 1.512 -0.486 0 O-C-N 123.631 0.582 . . . . 0.0 111.02 -177.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -72.23 -36.14 69.04 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.233 -178.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 57.5 tttp -67.81 -52.85 32.27 Favored 'General case' 0 C--N 1.307 -1.26 0 C-N-CA 122.928 0.491 . . . . 0.0 109.873 -176.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.478 ' HB3' HD21 ' B' ' 10' ' ' LEU . 27.7 m -68.04 -21.06 65.03 Favored 'General case' 0 C--N 1.306 -1.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.652 178.661 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 13.3 t -81.45 -34.75 31.25 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-O 120.921 0.391 . . . . 0.0 110.425 179.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 43.2 m-70 -89.83 -56.5 3.21 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -178.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 17.7 m -108.74 -48.25 7.4 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.611 0 N-CA-C 112.678 0.621 . . . . 0.0 112.678 -176.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.471 ' HA2' ' HA ' ' A' ' 10' ' ' CYS . . . 125.87 149.79 7.51 Favored Glycine 0 C--N 1.286 -2.231 0 N-CA-C 109.18 -1.568 . . . . 0.0 109.18 -178.247 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.605 ' SG ' HD12 ' A' ' 6' ' ' LEU 0.271 9.0 p -151.3 164.96 35.47 Favored 'General case' 0 C--N 1.293 -1.886 0 CA-C-N 117.322 0.561 . . . . 0.0 112.409 -177.842 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 35.4 p -62.69 144.58 56.19 Favored 'General case' 0 N--CA 1.418 -2.071 0 N-CA-C 115.071 1.508 . . . . 0.0 115.071 -172.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.44 ' HB2' ' HB3' ' B' ' 6' ' ' GLU . 20.4 tptm -63.57 -31.32 72.45 Favored 'General case' 0 C--N 1.292 -1.912 0 CA-C-N 113.266 -1.788 . . . . 0.0 107.43 177.331 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.1 mmm180 -66.0 -27.23 67.97 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.647 175.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.418 ' HG ' HD11 ' A' ' 6' ' ' LEU . 32.0 t -74.47 -33.59 62.92 Favored 'General case' 0 N--CA 1.425 -1.678 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 -179.321 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.468 ' HB3' ' HG2' ' B' ' 19' ' ' GLN . 2.3 mp -81.21 -30.36 34.28 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 119.66 -0.816 . . . . 0.0 109.486 173.138 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.02 -40.03 72.8 Favored 'General case' 0 N--CA 1.483 1.205 0 CA-C-N 115.243 -0.89 . . . . 0.0 112.279 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.0 ptp180 -77.65 8.9 3.85 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.946 -0.57 . . . . 0.0 112.122 -178.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -130.02 -66.19 0.79 Allowed 'General case' 0 CA--C 1.505 -0.756 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.453 176.076 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 77.6 m 64.53 -74.05 0.05 Allowed 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.287 1.035 . . . . 0.0 113.142 -177.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.265 0 O-C-N 121.759 -0.588 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . 0.401 ' HB3' ' HE2' ' B' ' 4' ' ' MET . 9.6 m-20 . . . . . 0 N--CA 1.477 0.88 0 N-CA-C 111.614 0.228 . . . . 0.0 111.614 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 24.8 m -60.29 -24.2 64.77 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 -175.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' TRP . . . . . 0.429 ' CZ3' ' HG2' ' B' ' 4' ' ' MET . 38.6 p-90 -75.07 -13.3 60.47 Favored 'General case' 0 C--N 1.273 -2.725 0 CA-C-N 114.624 -1.171 . . . . 0.0 111.805 179.006 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' MET . . . . . 0.535 ' HB3' ' HB3' ' A' ' 18' ' ' ARG . 69.0 mtm -75.46 -24.46 56.98 Favored 'General case' 0 C--O 1.248 0.991 0 CA-C-O 120.733 0.301 . . . . 0.0 111.269 -178.158 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -85.17 76.39 10.2 Favored 'General case' 0 N--CA 1.427 -1.583 0 CA-C-O 122.781 1.276 . . . . 0.0 110.266 178.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . 0.552 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 32.2 tt0 -144.57 158.61 43.69 Favored 'General case' 0 N--CA 1.417 -2.11 0 N-CA-C 103.913 -2.625 . . . . 0.0 103.913 -179.427 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 4.4 p -150.91 121.32 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.275 -2.667 0 O-C-N 123.743 0.652 . . . . 0.0 109.752 -178.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 27.7 pt -138.14 172.62 13.87 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.344 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.531 -178.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -118.29 137.75 52.85 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 179.068 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.621 ' CD1' ' HA ' ' B' ' 15' ' ' LEU . 0.2 OUTLIER -164.2 168.47 18.86 Favored 'General case' 0 C--N 1.306 -1.3 0 C-N-CA 123.683 0.793 . . . . 0.0 109.148 -174.685 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' CYS . . . . . 0.492 ' CA ' ' HG ' ' B' ' 15' ' ' LEU . 60.2 m -158.81 162.14 37.0 Favored 'General case' 0 C--N 1.296 -1.756 0 N-CA-C 107.516 -1.29 . . . . 0.0 107.516 -175.199 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 48.1 -130.16 18.59 Favored Glycine 0 N--CA 1.469 0.87 0 N-CA-C 114.747 0.659 . . . . 0.0 114.747 175.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . 0.541 ' O ' ' HG3' ' B' ' 17' ' ' ARG . 24.3 tpt180 -63.85 -28.34 69.78 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 115.077 -0.562 . . . . 0.0 111.005 179.463 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . 0.486 ' O ' HD13 ' B' ' 10' ' ' LEU . 59.6 mm-40 -63.0 -37.24 86.37 Favored 'General case' 0 CA--C 1.512 -0.481 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 176.383 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.621 ' HA ' ' CD1' ' B' ' 10' ' ' LEU . 27.3 mt -62.04 -42.59 99.34 Favored 'General case' 0 C--N 1.349 0.584 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 178.493 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 31.4 t -70.24 -28.79 36.9 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.911 0 CA-C-N 113.883 -1.508 . . . . 0.0 110.252 -177.186 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . 0.541 ' HG3' ' O ' ' B' ' 13' ' ' ARG . 76.5 mtp180 -62.77 -49.14 76.17 Favored 'General case' 0 N--CA 1.438 -1.07 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.523 177.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . 0.445 ' O ' HG12 ' B' ' 22' ' ' ILE . . . -73.16 -39.46 65.63 Favored 'General case' 0 C--N 1.302 -1.464 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.917 179.099 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . 0.444 ' CG ' ' HB3' ' A' ' 20' ' ' LEU . 48.5 mt-30 -58.18 -60.68 3.38 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 122.955 0.502 . . . . 0.0 112.122 179.498 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 51.7 mt -63.7 -29.87 48.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.698 -0.228 . . . . 0.0 111.27 -179.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.45 -38.13 88.6 Favored 'General case' 0 C--O 1.204 -1.333 0 N-CA-C 109.811 -0.441 . . . . 0.0 109.811 176.391 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . 0.45 ' O ' ' HG3' ' B' ' 25' ' ' MET . 38.2 mm -70.83 -32.54 49.21 Favored 'Isoleucine or valine' 0 C--O 1.239 0.508 0 CA-C-O 121.481 0.658 . . . . 0.0 110.149 176.406 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 86.3 m -74.58 -24.57 58.93 Favored 'General case' 0 C--N 1.308 -1.213 0 CA-C-O 121.556 0.693 . . . . 0.0 110.862 -178.368 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -129.83 54.68 0.78 Allowed Glycine 0 C--N 1.283 -2.412 0 CA-C-N 114.967 -1.015 . . . . 0.0 111.879 178.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' MET . . . . . 0.45 ' HG3' ' O ' ' B' ' 22' ' ' ILE . 3.7 ppp? -111.95 28.02 9.14 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-O 121.298 0.57 . . . . 0.0 110.088 176.128 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 9.9 m -67.63 14.92 0.05 OUTLIER 'General case' 0 CA--C 1.554 1.101 0 C-N-CA 124.811 1.244 . . . . 0.0 114.156 -173.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' THR . . . . . 0.421 ' H ' ' C ' ' B' ' 25' ' ' MET . 6.6 m -82.16 -15.77 52.12 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 106.963 -1.495 . . . . 0.0 106.963 173.014 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' TRP . . . . . . . . . . . . . 71.2 t-105 -136.94 162.31 33.64 Favored 'General case' 0 C--N 1.292 -1.91 0 CA-C-N 113.328 -1.76 . . . . 0.0 106.599 176.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 16.0 m -81.41 104.39 11.82 Favored 'General case' 0 C--N 1.302 -1.484 0 CA-C-O 120.868 0.366 . . . . 0.0 110.456 -179.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.31 -1.115 0 CA-C-N 116.655 -0.248 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.01 0 CA-C-O 121.104 0.478 . . . . 0.0 110.813 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.419 ' O ' ' HB2' ' A' ' 6' ' ' LEU . 2.5 pt? -66.53 -32.74 74.28 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 115.876 -0.602 . . . . 0.0 112.191 -177.56 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.512 ' CE2' ' HA ' ' A' ' 23' ' ' PHE . 34.1 m-85 -71.21 -51.15 26.33 Favored 'General case' 0 CA--C 1.509 -0.613 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 -179.031 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 11.7 m -60.02 -38.25 82.13 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.515 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -74.84 -29.35 61.02 Favored 'General case' 0 C--O 1.203 -1.383 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.132 179.112 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.483 HD11 ' O ' ' A' ' 19' ' ' SER . 7.2 tt -60.17 -53.45 57.55 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 -179.16 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.09 -43.69 78.3 Favored 'General case' 0 C--O 1.244 0.788 0 CA-C-O 121.381 0.61 . . . . 0.0 110.86 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -69.58 -40.97 76.41 Favored 'General case' 0 C--O 1.206 -1.204 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.082 -179.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -58.24 -47.78 82.46 Favored 'General case' 0 C--N 1.308 -1.197 0 C-N-CA 123.683 0.793 . . . . 0.0 110.225 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 24.0 m -65.61 -30.83 71.6 Favored 'General case' 0 C--N 1.311 -1.088 0 O-C-N 123.654 0.596 . . . . 0.0 110.409 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.9 t -81.91 -34.71 29.78 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-O 121.014 0.435 . . . . 0.0 110.969 -178.241 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 11.3 m170 -77.16 -52.98 8.34 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-O 120.98 0.419 . . . . 0.0 111.609 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 17.5 m -125.74 -48.07 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.538 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.162 -175.249 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 139.74 170.68 12.03 Favored Glycine 0 C--N 1.291 -1.94 0 N-CA-C 109.534 -1.427 . . . . 0.0 109.534 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.5 p -149.86 164.75 34.52 Favored 'General case' 0 C--N 1.292 -1.902 0 CA-C-N 117.249 0.525 . . . . 0.0 109.827 -177.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.498 ' O ' ' HB3' ' A' ' 19' ' ' SER . 63.2 p -80.66 149.62 29.73 Favored 'General case' 0 N--CA 1.406 -2.641 0 CA-C-O 121.23 0.538 . . . . 0.0 110.073 179.569 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.552 ' HB2' ' HB3' ' B' ' 6' ' ' GLU . 12.7 tptm -63.53 -29.32 70.6 Favored 'General case' 0 C--N 1.288 -2.105 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.275 -176.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.535 ' HB3' ' HB3' ' B' ' 4' ' ' MET . 26.4 ptt180 -62.15 -36.37 81.62 Favored 'General case' 0 N--CA 1.487 1.4 0 CA-C-O 121.898 0.856 . . . . 0.0 110.661 173.754 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.498 ' HB3' ' O ' ' A' ' 16' ' ' THR . 27.6 t -63.29 -54.18 41.2 Favored 'General case' 0 C--N 1.28 -2.432 0 CA-C-N 114.158 -1.383 . . . . 0.0 109.12 -179.132 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.481 HD11 ' O ' ' A' ' 16' ' ' THR . 0.6 OUTLIER -70.11 -20.68 63.17 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 119.626 -0.83 . . . . 0.0 110.151 178.816 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.1 -35.07 79.57 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.452 0.644 . . . . 0.0 110.382 177.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.524 ' HG3' ' O ' ' A' ' 18' ' ' ARG . 95.4 mtt180 -84.75 -19.17 33.06 Favored 'General case' 0 CA--C 1.502 -0.883 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.019 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.512 ' HA ' ' CE2' ' A' ' 3' ' ' TYR . 14.0 t80 -73.88 -63.73 1.15 Allowed 'General case' 0 C--N 1.312 -1.03 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 178.071 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 31.2 t 65.68 -85.31 0.03 OUTLIER 'General case' 0 C--N 1.309 -1.171 0 CA-C-N 113.173 -1.83 . . . . 0.0 111.612 178.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.594 0 O-C-N 121.519 -0.738 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 . . . . . 0 N--CA 1.472 0.629 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.547 ' O ' ' HG2' ' B' ' 6' ' ' GLU . 5.9 m -73.8 117.41 15.55 Favored 'General case' 0 CA--C 1.503 -0.85 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 178.829 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' TRP . . . . . . . . . . . . . 82.0 m95 -60.48 -32.28 71.26 Favored 'General case' 0 C--N 1.282 -2.329 0 CA-C-N 114.91 -1.041 . . . . 0.0 112.934 -169.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 3.6 mpp? -64.88 -30.89 71.91 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.032 0.444 . . . . 0.0 110.879 179.348 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -111.03 9.53 22.1 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.8 -175.465 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . 0.547 ' HG2' ' O ' ' B' ' 2' ' ' SER . 35.8 mm-40 -77.7 112.03 14.1 Favored 'General case' 0 N--CA 1.425 -1.701 0 CA-C-O 121.756 0.789 . . . . 0.0 111.405 179.269 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . 0.431 ' HA ' ' HA ' ' A' ' 16' ' ' THR . 5.9 p -145.46 133.13 15.94 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.75 0 CA-C-N 114.041 -1.436 . . . . 0.0 107.852 178.548 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -141.61 159.22 21.69 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.582 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 -179.189 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -123.82 79.22 1.69 Allowed 'General case' 0 C--N 1.287 -2.142 0 CA-C-O 122.163 0.982 . . . . 0.0 110.314 176.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 8.7 mp -107.0 174.16 6.01 Favored 'General case' 0 CA--C 1.483 -1.617 0 CA-C-N 114.29 -1.323 . . . . 0.0 109.721 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 48.6 t -153.98 160.27 41.99 Favored 'General case' 0 C--N 1.28 -2.434 0 C-N-CA 120.342 -0.543 . . . . 0.0 109.898 -174.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 50.94 -121.95 12.54 Favored Glycine 0 C--N 1.302 -1.312 0 O-C-N 124.925 1.391 . . . . 0.0 114.206 179.07 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 80.1 mtm180 -63.8 -39.96 95.49 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-N 114.336 -0.932 . . . . 0.0 111.229 -177.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -66.69 -34.11 77.14 Favored 'General case' 0 CA--C 1.498 -1.022 0 CA-C-O 121.943 0.877 . . . . 0.0 109.599 -176.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.477 ' CD2' ' HA ' ' A' ' 7' ' ' ALA . 20.2 tp -68.17 -39.86 82.43 Favored 'General case' 0 C--N 1.295 -1.799 0 CA-C-N 114.579 -1.192 . . . . 0.0 109.693 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 86.9 t -66.93 -37.98 80.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 175.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 48.4 mtp85 -59.68 -44.28 93.67 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.076 177.217 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.18 -34.99 79.7 Favored 'General case' 0 C--N 1.32 -0.704 0 O-C-N 123.813 0.696 . . . . 0.0 110.531 178.008 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . 0.457 ' O ' HG21 ' B' ' 22' ' ' ILE . 49.3 mt-30 -64.87 -52.14 58.17 Favored 'General case' 0 C--N 1.314 -0.967 0 C-N-CA 123.512 0.725 . . . . 0.0 110.851 176.049 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 70.2 mt -60.92 -33.85 57.26 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.244 0 CA-C-O 121.4 0.619 . . . . 0.0 109.597 175.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.69 -34.46 76.95 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.649 177.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . 0.457 HG21 ' O ' ' B' ' 19' ' ' GLN . 0.2 OUTLIER -82.14 -39.87 16.8 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.248 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 179.573 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 34.3 m -75.87 -24.33 55.71 Favored 'General case' 0 C--N 1.311 -1.105 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 -177.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -87.25 -11.18 69.9 Favored Glycine 0 C--N 1.293 -1.861 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.922 176.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 14.7 tpt -133.22 46.9 2.54 Favored 'General case' 0 C--N 1.311 -1.08 0 N-CA-C 106.235 -1.765 . . . . 0.0 106.235 178.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 3.7 p -80.04 69.45 6.42 Favored 'General case' 0 N--CA 1.429 -1.483 0 CA-C-N 114.611 -1.177 . . . . 0.0 113.142 -172.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 17.3 m -77.51 -42.04 37.07 Favored 'General case' 0 C--N 1.298 -1.657 0 CA-C-O 122.651 1.215 . . . . 0.0 108.978 176.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' TRP . . . . . . . . . . . . . 96.6 m95 -139.1 124.64 19.4 Favored 'General case' 0 C--N 1.27 -2.868 0 CA-C-N 113.141 -1.845 . . . . 0.0 109.507 178.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 36.3 m -111.7 87.6 2.59 Favored 'General case' 0 C--N 1.299 -1.591 0 CA-C-O 121.01 0.434 . . . . 0.0 109.888 178.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.31 -1.126 0 CA-C-N 116.469 -0.332 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.851 0 CA-C-O 122.424 1.107 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 98.5 mt -60.64 -46.52 90.0 Favored 'General case' 0 C--N 1.296 -1.741 0 CA-C-N 112.893 -1.958 . . . . 0.0 111.519 -178.173 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -79.81 -37.42 35.22 Favored 'General case' 0 N--CA 1.402 -2.864 0 C-N-CA 119.122 -1.031 . . . . 0.0 109.749 -176.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.4 m -57.32 -49.78 75.04 Favored 'General case' 0 N--CA 1.437 -1.086 0 CA-C-N 115.258 -0.883 . . . . 0.0 111.106 179.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.24 -41.78 89.54 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.325 -178.58 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 49.3 tp -63.38 -51.88 64.01 Favored 'General case' 0 CA--C 1.519 -0.238 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 178.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.477 ' HA ' ' CD2' ' B' ' 15' ' ' LEU . . . -54.07 -49.24 69.48 Favored 'General case' 0 CA--C 1.507 -0.684 0 O-C-N 123.9 0.75 . . . . 0.0 110.883 -178.813 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -61.07 -42.3 98.23 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.997 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -66.89 -48.55 68.39 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.411 -174.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 12.2 m -70.71 -33.4 70.83 Favored 'General case' 0 C--N 1.296 -1.725 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 -179.054 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.5 t -68.61 -33.62 74.36 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 116.145 -0.479 . . . . 0.0 109.72 -178.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -95.16 -61.7 1.43 Allowed 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -179.207 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.8 m -100.13 -50.47 10.57 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.226 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -175.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 131.16 161.39 10.23 Favored Glycine 0 N--CA 1.427 -1.928 0 N-CA-C 110.544 -1.022 . . . . 0.0 110.544 -179.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.0 p -142.45 158.95 43.14 Favored 'General case' 0 C--N 1.281 -2.38 0 CA-C-O 121.116 0.484 . . . . 0.0 109.782 -179.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.575 ' O ' HD13 ' A' ' 20' ' ' LEU . 23.3 p -80.12 150.34 30.28 Favored 'General case' 0 N--CA 1.387 -3.588 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.399 178.817 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.424 ' HB2' ' HB3' ' B' ' 6' ' ' GLU . 2.7 tppp? -60.59 -33.24 72.44 Favored 'General case' 0 C--N 1.297 -1.697 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 179.302 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 40.1 mtm105 -62.68 -31.38 72.26 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 114.204 -1.362 . . . . 0.0 109.86 176.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.454 ' O ' ' HD2' ' A' ' 23' ' ' PHE . 45.6 t -73.96 -46.17 45.64 Favored 'General case' 0 N--CA 1.428 -1.563 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.433 -179.517 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.575 HD13 ' O ' ' A' ' 16' ' ' THR . 1.4 mp -67.4 -30.01 69.67 Favored 'General case' 0 CA--C 1.489 -1.371 0 C-N-CA 118.995 -1.082 . . . . 0.0 108.688 178.128 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.65 -41.9 91.58 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 123.96 0.787 . . . . 0.0 112.147 178.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 24.5 ptt85 -78.19 -16.53 57.79 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.138 -0.625 . . . . 0.0 111.83 -178.544 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.454 ' HD2' ' O ' ' A' ' 19' ' ' SER . 68.0 m-85 -92.17 -43.04 9.56 Favored 'General case' 0 C--N 1.312 -1.024 0 C-N-CA 120.299 -0.56 . . . . 0.0 110.679 178.272 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 38.0 t -62.49 -72.9 0.12 Allowed 'General case' 0 C--N 1.299 -1.611 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.189 175.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.892 0 O-C-N 121.969 -0.457 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 . . . . . 0 CA--C 1.492 -1.25 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 8.7 m -104.07 142.2 34.88 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 178.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' TRP . . . . . 0.519 ' O ' ' HG3' ' A' ' 18' ' ' ARG . 5.4 m95 -93.06 -49.5 5.98 Favored 'General case' 0 C--N 1.282 -2.35 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.685 179.645 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' MET . . . . . 0.419 ' HA ' ' CD ' ' A' ' 18' ' ' ARG . 11.7 tmm? -67.96 -47.31 68.99 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.304 -172.161 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -125.92 85.99 2.47 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 119.328 -0.949 . . . . 0.0 111.349 179.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . 0.5 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 21.0 tt0 -155.11 143.37 20.28 Favored 'General case' 0 C--N 1.283 -2.313 0 N-CA-C 104.131 -2.544 . . . . 0.0 104.131 172.214 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 4.2 p -141.83 128.77 20.09 Favored 'Isoleucine or valine' 0 C--N 1.262 -3.198 0 CA-C-O 121.729 0.776 . . . . 0.0 109.846 -176.115 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . 0.437 ' HB ' HD12 ' B' ' 10' ' ' LEU . 27.8 pt -122.73 167.16 16.63 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.236 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.619 -178.066 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -135.52 76.65 1.63 Allowed 'General case' 0 C--N 1.278 -2.51 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 177.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.437 HD12 ' HB ' ' B' ' 8' ' ' ILE . 9.6 mp -115.33 175.67 5.41 Favored 'General case' 0 CA--C 1.481 -1.693 0 CA-C-N 114.165 -1.379 . . . . 0.0 109.384 -179.251 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 59.3 m -151.77 168.03 26.35 Favored 'General case' 0 C--N 1.284 -2.261 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 -175.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 43.68 -123.01 4.29 Favored Glycine 0 C--O 1.246 0.866 0 O-C-N 124.877 1.36 . . . . 0.0 116.214 171.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . 0.527 ' O ' ' HG3' ' B' ' 17' ' ' ARG . 30.6 mmm180 -70.5 -32.26 69.68 Favored 'General case' 0 C--N 1.298 -1.644 0 CA-C-N 114.181 -1.009 . . . . 0.0 112.063 -177.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . 0.404 ' O ' HD22 ' B' ' 10' ' ' LEU . 46.1 mm-40 -64.67 -34.39 78.18 Favored 'General case' 0 CA--C 1.503 -0.836 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 178.48 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.535 ' O ' ' HG3' ' B' ' 19' ' ' GLN . 11.0 tp -66.9 -41.62 86.83 Favored 'General case' 0 N--CA 1.431 -1.389 0 CA-C-N 114.756 -1.111 . . . . 0.0 108.728 -178.416 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 54.0 t -67.79 -38.24 79.88 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.421 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.421 178.152 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . 0.527 ' HG3' ' O ' ' B' ' 13' ' ' ARG . 81.3 mtp180 -57.57 -42.35 82.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.214 0.53 . . . . 0.0 110.61 176.823 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . 0.511 ' O ' HG13 ' B' ' 22' ' ' ILE . . . -70.78 -41.26 71.94 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.09 179.438 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . 0.535 ' HG3' ' O ' ' B' ' 15' ' ' LEU . 37.1 mt-30 -56.92 -56.11 25.83 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.801 176.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 78.4 mt -55.93 -35.02 39.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.318 -0.856 . . . . 0.0 111.219 179.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.0 -33.22 75.53 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.059 0.457 . . . . 0.0 110.451 177.143 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . 0.514 HG12 ' CZ3' ' B' ' 3' ' ' TRP . 53.6 mt -76.48 -35.79 27.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 177.115 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' CYS . . . . . 0.438 ' HA ' ' OG ' ' B' ' 26' ' ' SER . 9.5 m -74.17 -23.61 59.27 Favored 'General case' 0 C--O 1.24 0.568 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.144 -179.391 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -78.01 -20.16 73.63 Favored Glycine 0 C--N 1.298 -1.544 0 N-CA-C 111.367 -0.693 . . . . 0.0 111.367 174.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 26.0 mmt -119.24 30.68 7.0 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.348 0.594 . . . . 0.0 110.991 -178.075 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' SER . . . . . 0.438 ' OG ' ' HA ' ' B' ' 23' ' ' CYS . 65.5 m -80.82 37.08 0.41 Allowed 'General case' 0 C--N 1.311 -1.089 0 CA-C-O 121.154 0.502 . . . . 0.0 112.031 -178.354 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' THR . . . . . 0.416 ' HB ' ' CE3' ' B' ' 28' ' ' TRP . 5.8 m -81.15 -18.01 47.81 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-O 122.705 1.24 . . . . 0.0 109.385 179.687 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' TRP . . . . . 0.416 ' CE3' ' HB ' ' B' ' 27' ' ' THR . 48.8 p90 -141.14 145.42 35.71 Favored 'General case' 0 C--N 1.279 -2.464 0 CA-C-N 113.811 -1.541 . . . . 0.0 108.613 177.647 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 4.9 p -96.73 92.27 6.1 Favored 'General case' 0 C--N 1.292 -1.9 0 CA-C-O 121.168 0.509 . . . . 0.0 110.513 178.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.07 0 CA-C-N 116.466 -0.333 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.816 0 CA-C-O 120.346 0.117 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 81.8 mt -63.9 -35.43 80.61 Favored 'General case' 0 CA--C 1.479 -1.78 0 N-CA-C 112.836 0.68 . . . . 0.0 112.836 -175.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -73.0 -38.35 66.64 Favored 'General case' 0 N--CA 1.409 -2.498 0 C-N-CA 118.223 -1.391 . . . . 0.0 110.553 178.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.4 t -63.9 -39.51 94.34 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 179.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.47 -42.14 95.64 Favored 'General case' 0 C--O 1.24 0.559 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.879 177.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 53.0 tp -61.17 -45.92 92.63 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 177.29 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.458 ' HA ' ' CD2' ' B' ' 15' ' ' LEU . . . -57.48 -45.46 84.81 Favored 'General case' 0 C--O 1.24 0.578 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.553 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 19.6 m120 -64.38 -48.93 73.57 Favored 'General case' 0 CA--C 1.507 -0.688 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.091 177.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -59.31 -52.65 64.73 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.712 -173.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 41.7 m -65.39 -30.71 71.55 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-O 120.593 0.235 . . . . 0.0 110.822 -179.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.6 t -79.84 -31.3 40.51 Favored 'General case' 0 N--CA 1.427 -1.598 0 C-N-CA 120.244 -0.582 . . . . 0.0 111.356 -177.067 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 20.5 m-70 -85.97 -51.76 6.15 Favored 'General case' 0 CA--C 1.508 -0.65 0 CA-C-O 121.149 0.499 . . . . 0.0 112.033 -179.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.8 m -116.32 -44.99 3.79 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.658 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.893 -176.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 127.41 173.84 13.6 Favored Glycine 0 C--N 1.291 -1.965 0 N-CA-C 110.09 -1.204 . . . . 0.0 110.09 178.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.2 p -151.72 160.94 43.41 Favored 'General case' 0 C--N 1.286 -2.196 0 CA-C-N 116.972 0.386 . . . . 0.0 110.292 -178.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.455 ' O ' ' HB3' ' A' ' 19' ' ' SER . 30.2 p -81.44 157.93 24.75 Favored 'General case' 0 N--CA 1.398 -3.031 0 CA-C-O 121.536 0.684 . . . . 0.0 109.472 178.216 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.5 ' HB2' ' HB3' ' B' ' 6' ' ' GLU . 9.7 tptm -65.53 -28.98 69.56 Favored 'General case' 0 C--N 1.271 -2.805 0 N-CA-C 108.482 -0.932 . . . . 0.0 108.482 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.519 ' HG3' ' O ' ' B' ' 3' ' ' TRP . 54.3 mtm180 -61.69 -30.94 71.07 Favored 'General case' 0 N--CA 1.488 1.469 0 CA-C-O 121.278 0.561 . . . . 0.0 111.096 170.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.455 ' HB3' ' O ' ' A' ' 16' ' ' THR . 29.6 t -69.71 -40.93 75.98 Favored 'General case' 0 N--CA 1.426 -1.636 0 CA-C-N 115.393 -0.821 . . . . 0.0 108.796 -177.229 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.436 ' HB3' ' HG2' ' B' ' 19' ' ' GLN . 1.5 mp -77.48 -35.14 53.97 Favored 'General case' 0 C--O 1.199 -1.594 0 C-N-CA 118.781 -1.167 . . . . 0.0 109.289 174.609 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.07 -32.19 67.79 Favored 'General case' 0 N--CA 1.485 1.291 0 N-CA-C 113.245 0.832 . . . . 0.0 113.245 -176.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 18.0 ptp180 -74.97 -18.57 60.36 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.095 0.474 . . . . 0.0 111.507 179.171 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -97.43 -55.12 2.93 Favored 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 175.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 43.0 t -154.32 98.9 2.17 Favored 'General case' 0 C--N 1.289 -2.056 0 CA-C-N 114.188 -1.369 . . . . 0.0 108.388 177.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.309 -1.156 0 CA-C-N 116.499 -0.319 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 . . . . . 0 CA--C 1.49 -1.361 0 CA-C-O 120.812 0.339 . . . . 0.0 110.305 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.497 ' O ' ' HB2' ' B' ' 6' ' ' GLU . 2.3 m -89.82 119.78 30.5 Favored 'General case' 0 N--CA 1.423 -1.823 0 N-CA-C 104.569 -2.382 . . . . 0.0 104.569 171.364 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' TRP . . . . . . . . . . . . . 64.4 m95 -93.07 -26.56 17.42 Favored 'General case' 0 C--N 1.262 -3.208 0 N-CA-C 113.259 0.837 . . . . 0.0 113.259 -172.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 73.1 mtm -81.91 -45.25 15.7 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 120.094 -0.642 . . . . 0.0 110.388 179.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -135.87 109.34 7.92 Favored 'General case' 0 C--N 1.305 -1.331 0 C-N-CA 120.749 -0.381 . . . . 0.0 111.051 178.202 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . 0.505 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 23.8 tt0 -156.45 148.87 23.48 Favored 'General case' 0 C--N 1.315 -0.934 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 174.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 9.7 p -142.84 138.97 27.97 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.221 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -178.227 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -141.19 169.11 15.17 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.201 0 N-CA-C 108.525 -0.916 . . . . 0.0 108.525 -179.014 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -125.93 86.06 2.48 Favored 'General case' 0 C--N 1.308 -1.233 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 177.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 8.8 mp -120.01 173.06 7.3 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.016 -177.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 16.7 m -149.85 160.57 43.47 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 -179.102 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 45.43 -120.66 4.29 Favored Glycine 0 CA--C 1.505 -0.557 0 N-CA-C 116.15 1.22 . . . . 0.0 116.15 172.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -58.23 -35.08 71.16 Favored 'General case' 0 C--N 1.31 -1.111 0 C-N-CA 124.712 1.205 . . . . 0.0 111.204 -178.22 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -68.23 -36.62 79.78 Favored 'General case' 0 N--CA 1.44 -0.958 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 -179.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 96.3 mt -62.53 -41.3 98.78 Favored 'General case' 0 C--O 1.215 -0.72 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.856 176.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 59.0 t -66.39 -43.41 91.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 179.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 82.9 mtt180 -57.01 -43.44 81.79 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.632 176.183 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . 0.566 ' O ' HG13 ' B' ' 22' ' ' ILE . . . -67.01 -46.23 75.13 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.605 178.516 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -56.42 -55.79 29.27 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 124.222 1.009 . . . . 0.0 111.259 177.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 47.1 mm -59.46 -34.42 54.49 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.036 178.296 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.95 -39.13 93.72 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-O 120.929 0.395 . . . . 0.0 110.261 177.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . 0.566 HG13 ' O ' ' B' ' 18' ' ' ALA . 68.1 mt -69.89 -37.51 73.21 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.945 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.828 179.693 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 9.1 m -74.82 -22.97 58.41 Favored 'General case' 0 C--N 1.308 -1.196 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 179.463 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.77 -39.33 10.57 Favored Glycine 0 C--N 1.294 -1.76 0 C-N-CA 120.61 -0.805 . . . . 0.0 111.154 174.102 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 86.4 mtp -125.46 72.24 1.25 Allowed 'General case' 0 C--N 1.315 -0.927 0 CA-C-O 121.754 0.788 . . . . 0.0 109.037 -176.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 11.8 m -81.66 8.78 9.03 Favored 'General case' 0 C--N 1.301 -1.541 0 CA-C-N 114.914 -1.039 . . . . 0.0 111.471 179.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 19.4 p -139.01 140.4 38.14 Favored 'General case' 0 N--CA 1.404 -2.769 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 -176.023 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' TRP . . . . . . . . . . . . . 58.2 t90 -66.72 121.93 16.52 Favored 'General case' 0 C--N 1.29 -1.988 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.711 -177.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 21.3 m -102.05 -76.09 0.58 Allowed 'General case' 0 C--N 1.305 -1.363 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.378 179.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.799 0 O-C-N 122.125 -0.36 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.1 0 CA-C-O 120.347 0.117 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 94.5 mt -64.83 -32.7 74.52 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 122.431 0.292 . . . . 0.0 111.379 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.429 ' CE1' ' HB3' ' A' ' 23' ' ' PHE . 26.5 m-85 -57.5 -47.88 80.75 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-O 120.903 0.382 . . . . 0.0 111.085 174.178 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 17.2 t -71.16 -33.38 69.98 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.133 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.13 -49.86 75.54 Favored 'General case' 0 C--O 1.221 -0.405 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 177.177 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.7 tp -57.68 -47.33 82.63 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.067 176.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.02 -53.3 59.8 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.5 -179.411 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -63.89 -43.97 94.41 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.315 -179.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -56.75 -50.22 72.89 Favored 'General case' 0 CA--C 1.488 -1.44 0 O-C-N 123.15 0.281 . . . . 0.0 111.532 178.16 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.474 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 4.2 t -68.62 -31.15 70.1 Favored 'General case' 0 C--N 1.296 -1.757 0 O-C-N 123.547 0.529 . . . . 0.0 110.269 -175.394 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 8.5 t -77.21 -32.6 56.04 Favored 'General case' 0 N--CA 1.424 -1.748 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.231 -177.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 35.9 m-70 -91.24 -53.75 4.22 Favored 'General case' 0 CA--C 1.515 -0.404 0 N-CA-C 113.175 0.805 . . . . 0.0 113.175 -178.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.9 m -111.4 -45.51 5.72 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.617 0 CA-C-O 121.507 0.67 . . . . 0.0 111.866 -176.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.474 ' C ' ' HA ' ' A' ' 10' ' ' CYS . . . 139.26 164.73 10.0 Favored Glycine 0 C--N 1.284 -2.334 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.686 177.544 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.505 ' SG ' HD11 ' A' ' 20' ' ' LEU . 28.9 p -134.15 163.19 30.15 Favored 'General case' 0 C--N 1.29 -1.982 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 -179.384 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.502 ' O ' HD13 ' A' ' 20' ' ' LEU . 12.4 p -97.83 145.28 26.56 Favored 'General case' 0 N--CA 1.409 -2.479 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.656 179.691 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.505 ' HB2' ' HB3' ' B' ' 6' ' ' GLU . 1.2 tptm -59.26 -35.85 74.45 Favored 'General case' 0 C--N 1.297 -1.694 0 CA-C-N 115.578 -0.737 . . . . 0.0 112.083 -175.516 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 43.8 mtp180 -67.43 -26.51 66.45 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 121.485 0.66 . . . . 0.0 110.054 176.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.2 t -73.87 -33.44 64.06 Favored 'General case' 0 N--CA 1.424 -1.748 0 CA-C-N 115.569 -0.742 . . . . 0.0 109.373 -177.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.505 HD11 ' SG ' ' A' ' 15' ' ' CYS . 1.5 mp -79.3 -31.02 43.14 Favored 'General case' 0 CA--C 1.504 -0.806 0 C-N-CA 118.392 -1.323 . . . . 0.0 108.517 173.573 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.68 -36.63 76.86 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.243 -0.889 . . . . 0.0 112.612 -179.007 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 35.3 ptt180 -72.96 -19.48 61.22 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -179.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.429 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 92.9 m-85 -104.14 -65.69 1.01 Allowed 'General case' 0 C--N 1.315 -0.93 0 CA-C-O 120.969 0.414 . . . . 0.0 110.573 179.269 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 41.8 t 58.91 -90.12 0.03 OUTLIER 'General case' 0 C--N 1.309 -1.157 0 C-N-CA 125.258 1.423 . . . . 0.0 111.761 -177.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.313 -0.998 0 O-C-N 121.751 -0.593 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . 0.505 ' HA ' ' OE2' ' B' ' 6' ' ' GLU . 5.3 p-10 . . . . . 0 CA--C 1.506 -0.746 0 CA-C-O 121.117 0.484 . . . . 0.0 110.416 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.471 ' O ' ' HB2' ' B' ' 6' ' ' GLU . 13.5 m -136.41 137.33 40.39 Favored 'General case' 0 C--N 1.295 -1.799 0 N-CA-C 104.781 -2.303 . . . . 0.0 104.781 170.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' TRP . . . . . 0.508 ' O ' ' HG3' ' A' ' 18' ' ' ARG . 10.3 m95 -92.98 -47.13 7.15 Favored 'General case' 0 C--N 1.276 -2.602 0 C-N-CA 119.334 -0.947 . . . . 0.0 112.694 -176.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 97.4 mmm -66.01 -46.98 75.99 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 -173.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -135.92 85.84 2.19 Favored 'General case' 0 N--CA 1.43 -1.43 0 C-N-CA 119.592 -0.843 . . . . 0.0 111.819 176.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . 0.505 ' OE2' ' HA ' ' B' ' 1' ' ' ASP . 30.5 tt0 -129.41 146.55 51.25 Favored 'General case' 0 C--N 1.292 -1.906 0 N-CA-C 104.404 -2.443 . . . . 0.0 104.404 171.762 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 5.9 p -144.43 139.38 23.96 Favored 'Isoleucine or valine' 0 C--N 1.26 -3.302 0 O-C-N 123.806 0.692 . . . . 0.0 109.651 -173.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 31.0 pt -134.21 169.65 21.24 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.144 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 -179.267 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -140.16 70.61 1.36 Allowed 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 107.721 -1.214 . . . . 0.0 107.721 176.417 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.484 ' O ' HD12 ' B' ' 15' ' ' LEU . 9.4 mp -107.4 176.02 5.3 Favored 'General case' 0 C--N 1.293 -1.851 0 CA-C-N 114.628 -1.169 . . . . 0.0 109.562 179.594 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 83.4 m -154.49 166.27 33.81 Favored 'General case' 0 C--N 1.286 -2.152 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 -176.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 53.16 -128.89 38.92 Favored Glycine 0 CA--C 1.495 -1.186 0 O-C-N 124.227 0.955 . . . . 0.0 114.299 174.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . 0.61 ' O ' ' HG3' ' B' ' 17' ' ' ARG . 41.0 mmt180 -71.41 -28.0 63.7 Favored 'General case' 0 C--N 1.3 -1.564 0 CA-C-N 114.685 -0.758 . . . . 0.0 111.499 -177.457 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -75.23 -28.71 60.0 Favored 'General case' 0 CA--C 1.498 -1.057 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 -178.477 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.484 HD12 ' O ' ' B' ' 10' ' ' LEU . 18.1 tp -67.12 -41.13 86.73 Favored 'General case' 0 N--CA 1.431 -1.415 0 CA-C-N 114.965 -1.016 . . . . 0.0 108.269 177.606 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . 0.461 ' O ' HG13 ' B' ' 20' ' ' ILE . 44.7 t -68.9 -36.66 75.13 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.989 0 CA-C-N 115.048 -0.978 . . . . 0.0 109.693 178.753 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . 0.61 ' HG3' ' O ' ' B' ' 13' ' ' ARG . 91.1 mtt-85 -55.57 -46.26 77.23 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-O 121.253 0.549 . . . . 0.0 110.837 176.449 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.82 -39.91 79.77 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.59 178.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . 0.452 ' HG2' ' HB3' ' A' ' 20' ' ' LEU . 42.5 mt-30 -59.71 -55.25 36.69 Favored 'General case' 0 C--O 1.206 -1.197 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.32 177.244 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . 0.461 HG13 ' O ' ' B' ' 16' ' ' VAL . 81.0 mt -50.97 -44.36 27.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 123.833 0.853 . . . . 0.0 110.689 179.635 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.25 -44.38 95.3 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.818 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . 0.486 ' CG2' ' HN2' ' A' ' 25' ' ' NH2 . 0.4 OUTLIER -78.79 -24.72 13.18 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.858 0 CA-C-O 122.106 0.955 . . . . 0.0 109.957 -178.188 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 2.5 t -75.55 -22.31 57.15 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -98.78 7.95 61.3 Favored Glycine 0 N--CA 1.435 -1.38 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 174.267 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' MET . . . . . 0.531 ' SD ' ' HB2' ' B' ' 29' ' ' SER . 22.0 mmt -129.08 71.44 1.43 Allowed 'General case' 0 CA--C 1.493 -1.233 0 CA-C-O 121.972 0.891 . . . . 0.0 109.714 179.73 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 23.5 m -96.47 17.37 16.29 Favored 'General case' 0 C--N 1.285 -2.227 0 CA-C-N 114.511 -1.222 . . . . 0.0 109.533 178.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 15.6 p -127.17 -178.76 4.55 Favored 'General case' 0 N--CA 1.398 -3.055 0 N-CA-C 107.121 -1.437 . . . . 0.0 107.121 178.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' TRP . . . . . . . . . . . . . 44.5 t90 -93.78 69.23 4.0 Favored 'General case' 0 C--N 1.275 -2.671 0 CA-C-O 121.918 0.866 . . . . 0.0 109.984 -178.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.531 ' HB2' ' SD ' ' B' ' 25' ' ' MET . 26.3 m -125.8 76.52 1.59 Allowed 'General case' 0 C--N 1.307 -1.254 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.571 177.789 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.309 -1.169 0 CA-C-N 116.081 -0.509 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.717 0 CA-C-O 122.418 1.104 . . . . 0.0 109.938 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 90.9 mt -78.02 -38.08 45.56 Favored 'General case' 0 C--N 1.289 -2.057 0 CA-C-N 113.666 -1.606 . . . . 0.0 111.032 -176.082 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.478 ' CE1' ' HB3' ' A' ' 23' ' ' PHE . 57.1 m-85 -69.4 -43.17 74.02 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-O 120.95 0.405 . . . . 0.0 110.229 176.727 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 18.7 m -59.39 -36.16 75.28 Favored 'General case' 0 C--N 1.303 -1.455 0 CA-C-N 115.118 -0.947 . . . . 0.0 110.577 175.108 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.17 -43.56 81.92 Favored 'General case' 0 CA--C 1.519 -0.23 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 176.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 50.0 tp -57.51 -50.34 73.38 Favored 'General case' 0 CA--C 1.528 0.104 0 CA-C-N 115.595 -0.729 . . . . 0.0 109.749 177.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.71 -48.06 75.8 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.351 179.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -58.63 -43.43 89.71 Favored 'General case' 0 C--O 1.215 -0.756 0 CA-C-N 114.893 -1.049 . . . . 0.0 111.147 178.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.8 mmtm -65.82 -52.33 51.53 Favored 'General case' 0 C--N 1.313 -1.021 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 179.103 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 34.1 m -64.85 -35.66 81.85 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 123.198 0.311 . . . . 0.0 111.289 -177.182 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.5 t -78.86 -30.14 44.94 Favored 'General case' 0 N--CA 1.432 -1.351 0 C-N-CA 120.335 -0.546 . . . . 0.0 110.472 -176.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 15.3 m170 -81.83 -56.94 3.66 Favored 'General case' 0 CA--C 1.503 -0.856 0 C-N-CA 120.455 -0.498 . . . . 0.0 111.809 179.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.3 m -118.59 -42.07 2.49 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.511 0 CA-C-O 121.711 0.767 . . . . 0.0 111.981 -174.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 133.08 176.37 14.37 Favored Glycine 0 N--CA 1.416 -2.692 0 N-CA-C 109.912 -1.275 . . . . 0.0 109.912 178.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.3 p -153.58 160.98 42.6 Favored 'General case' 0 C--N 1.284 -2.254 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 -179.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.43 ' O ' HD23 ' A' ' 20' ' ' LEU . 45.1 p -80.91 156.87 25.82 Favored 'General case' 0 N--CA 1.399 -3.022 0 CA-C-O 121.953 0.882 . . . . 0.0 109.932 178.217 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -66.1 -32.02 73.23 Favored 'General case' 0 C--N 1.272 -2.789 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.178 179.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.508 ' HG3' ' O ' ' B' ' 3' ' ' TRP . 47.3 mtm105 -70.6 -20.59 62.75 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.701 172.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.1 t -72.92 -38.27 66.91 Favored 'General case' 0 N--CA 1.439 -1.002 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.452 ' HB3' ' HG2' ' B' ' 19' ' ' GLN . 0.7 OUTLIER -72.04 -44.17 63.78 Favored 'General case' 0 CA--C 1.489 -1.376 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 173.396 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.97 -33.97 40.26 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 114.285 1.217 . . . . 0.0 114.285 -177.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.4 ptt180 -77.93 -6.15 53.45 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 112.419 0.525 . . . . 0.0 112.419 -178.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.478 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 95.3 m-85 -114.57 -58.99 2.08 Favored 'General case' 0 C--N 1.307 -1.274 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 175.118 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 51.9 t -165.97 93.61 0.54 Allowed 'General case' 0 C--N 1.291 -1.973 0 N-CA-C 107.402 -1.333 . . . . 0.0 107.402 177.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' NH2 . . . . . 0.486 ' HN2' ' CG2' ' B' ' 22' ' ' ILE . . . . . . . . 0 C--N 1.299 -1.61 0 CA-C-N 115.667 -0.697 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 . . . . . 0 N--CA 1.475 0.793 0 CA-C-O 120.839 0.352 . . . . 0.0 111.279 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 20.0 m -70.38 151.95 44.64 Favored 'General case' 0 C--N 1.293 -1.865 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 178.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' TRP . . . . . . . . . . . . . 22.9 m95 -92.01 -49.48 6.19 Favored 'General case' 0 C--N 1.298 -1.644 0 C-N-CA 120.274 -0.57 . . . . 0.0 112.225 -179.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 74.1 mtm -60.23 -46.9 88.18 Favored 'General case' 0 CA--C 1.514 -0.433 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -174.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -136.34 121.03 18.42 Favored 'General case' 0 N--CA 1.426 -1.643 0 C-N-CA 120.54 -0.464 . . . . 0.0 109.765 175.317 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . 0.476 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 6.4 tp10 -166.92 150.89 6.9 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 106.924 -1.51 . . . . 0.0 106.924 176.575 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.4 p -151.58 132.95 4.92 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.643 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.136 -178.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -135.65 161.61 38.45 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.525 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 179.715 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 14.7 ptmm? -122.22 83.36 2.09 Favored 'General case' 0 C--N 1.31 -1.152 0 CA-C-O 122.3 1.048 . . . . 0.0 111.279 177.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 8.6 mp -107.8 175.56 5.44 Favored 'General case' 0 C--N 1.296 -1.754 0 CA-C-N 114.741 -1.118 . . . . 0.0 110.059 -178.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 29.1 m -147.37 164.58 32.85 Favored 'General case' 0 C--N 1.293 -1.856 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 -179.099 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 48.0 -125.66 12.66 Favored Glycine 0 C--O 1.259 1.678 0 N-CA-C 116.084 1.193 . . . . 0.0 116.084 173.308 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 21.9 mmt180 -71.71 -18.96 62.12 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-N 114.123 -1.038 . . . . 0.0 112.74 -177.178 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -70.68 -34.62 72.17 Favored 'General case' 0 N--CA 1.444 -0.771 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 176.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 80.9 mt -63.94 -41.86 97.5 Favored 'General case' 0 CA--C 1.503 -0.843 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.977 175.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 49.0 t -66.56 -44.26 90.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 179.264 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -58.68 -38.86 79.13 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.188 177.263 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . 0.625 ' O ' HG13 ' B' ' 22' ' ' ILE . . . -66.2 -55.15 17.66 Favored 'General case' 0 C--N 1.307 -1.27 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.622 176.194 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . 0.47 ' CG ' ' HB3' ' A' ' 20' ' ' LEU . 56.4 mt-30 -50.05 -56.27 11.46 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.065 1.346 . . . . 0.0 112.621 -179.625 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 51.8 mm -61.07 -39.05 80.99 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.013 -179.27 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.34 -29.73 67.61 Favored 'General case' 0 C--O 1.22 -0.483 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.157 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . 0.625 HG13 ' O ' ' B' ' 18' ' ' ALA . 79.3 mt -64.98 -46.37 91.81 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.578 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 177.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 59.0 m -73.86 -23.38 59.6 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 121.765 0.793 . . . . 0.0 111.02 -178.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.06 -39.0 59.37 Favored Glycine 0 C--N 1.291 -1.946 0 CA-C-N 115.035 -0.984 . . . . 0.0 111.237 173.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 72.4 mtm -99.4 24.34 8.2 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 112.818 0.673 . . . . 0.0 112.818 -176.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 68.9 m -85.51 33.93 0.57 Allowed 'General case' 0 C--N 1.294 -1.83 0 CA-C-O 121.798 0.809 . . . . 0.0 110.029 177.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' THR . . . . . 0.455 ' HB ' ' CE3' ' B' ' 28' ' ' TRP . 7.9 m -76.5 -15.96 59.76 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-O 122.635 1.207 . . . . 0.0 108.875 178.8 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' TRP . . . . . 0.455 ' CE3' ' HB ' ' B' ' 27' ' ' THR . 44.2 p90 -142.75 148.75 37.75 Favored 'General case' 0 C--N 1.283 -2.322 0 CA-C-N 113.461 -1.7 . . . . 0.0 106.825 175.529 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 21.3 m -112.79 93.23 4.32 Favored 'General case' 0 C--N 1.297 -1.709 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 -177.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.287 0 CA-C-N 116.582 -0.281 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.661 0 CA-C-O 122.299 1.047 . . . . 0.0 109.29 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.518 ' HG ' ' CE2' ' A' ' 23' ' ' PHE . 57.7 tp -58.42 -52.48 65.43 Favored 'General case' 0 C--N 1.301 -1.51 0 CA-C-N 112.721 -2.036 . . . . 0.0 111.736 -175.625 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -67.97 -46.8 70.37 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.146 -177.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 17.5 m -57.73 -33.35 68.35 Favored 'General case' 0 C--N 1.298 -1.632 0 CA-C-N 114.831 -1.077 . . . . 0.0 111.737 177.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.1 -43.92 77.37 Favored 'General case' 0 C--O 1.24 0.604 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 177.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 65.8 tp -61.84 -40.3 94.84 Favored 'General case' 0 CA--C 1.518 -0.261 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 176.446 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.42 -52.26 66.09 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 115.188 -0.914 . . . . 0.0 110.983 178.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -60.04 -49.06 79.15 Favored 'General case' 0 C--O 1.218 -0.586 0 O-C-N 123.322 0.389 . . . . 0.0 110.931 179.512 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 44.8 tttp -60.01 -44.96 94.22 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.29 -177.009 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.54 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 10.0 t -71.36 -32.77 68.9 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.196 -178.764 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.7 t -74.67 -30.53 61.62 Favored 'General case' 0 N--CA 1.427 -1.576 0 CA-C-N 116.3 -0.409 . . . . 0.0 109.979 -178.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 21.5 m-70 -83.28 -57.97 3.04 Favored 'General case' 0 CA--C 1.514 -0.417 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 178.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.0 m -112.32 -51.75 5.67 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.434 0 CA-C-O 121.337 0.589 . . . . 0.0 111.561 -176.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.54 ' C ' ' HA ' ' A' ' 10' ' ' CYS . . . 150.54 174.28 21.48 Favored Glycine 0 N--CA 1.418 -2.513 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 178.397 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.484 ' SG ' HD12 ' A' ' 20' ' ' LEU . 14.2 p -137.37 150.99 48.1 Favored 'General case' 0 C--N 1.283 -2.324 0 CA-C-O 120.895 0.378 . . . . 0.0 110.432 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.592 ' O ' HD11 ' A' ' 20' ' ' LEU . 19.4 p -85.8 144.27 27.83 Favored 'General case' 0 N--CA 1.402 -2.834 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.36 179.665 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.476 ' HB2' ' HB3' ' B' ' 6' ' ' GLU . 39.5 tptt -61.02 -37.84 83.99 Favored 'General case' 0 C--N 1.289 -2.053 0 C-N-CA 123.622 0.769 . . . . 0.0 110.539 -173.487 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 71.7 mtp180 -68.83 -23.54 64.27 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.021 0.439 . . . . 0.0 110.969 177.196 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.0 t -75.04 -43.15 55.21 Favored 'General case' 0 N--CA 1.426 -1.647 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 178.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.592 HD11 ' O ' ' A' ' 16' ' ' THR . 1.6 mp -70.54 -28.29 64.81 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 118.907 -1.117 . . . . 0.0 109.109 176.547 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.75 -38.81 92.5 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.548 176.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.9 tpm_? -67.15 -30.89 70.99 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 114.876 -1.056 . . . . 0.0 110.276 178.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.518 ' CE2' ' HG ' ' A' ' 2' ' ' LEU . 3.4 m-85 -84.95 -63.97 1.24 Allowed 'General case' 0 C--N 1.296 -1.754 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.498 -178.747 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.6 t 66.34 -72.01 0.09 Allowed 'General case' 0 C--N 1.306 -1.283 0 C-N-CA 124.973 1.309 . . . . 0.0 113.009 177.039 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.906 0 O-C-N 121.587 -0.696 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 N--CA 1.479 0.995 0 N-CA-C 113.552 0.945 . . . . 0.0 113.552 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 73.7 m -61.09 -30.48 70.38 Favored 'General case' 0 N--CA 1.484 1.234 0 CA-C-O 122.267 1.032 . . . . 0.0 112.277 179.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' TRP . . . . . 0.448 ' HE1' ' HB2' ' B' ' 28' ' ' TRP . 29.6 p-90 -91.31 -8.49 48.06 Favored 'General case' 0 C--N 1.266 -3.065 0 CA-C-N 113.586 -1.643 . . . . 0.0 111.503 -179.522 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' MET . . . . . 0.449 ' HG2' ' HB3' ' A' ' 18' ' ' ARG . 28.1 ttt -82.75 -17.67 43.42 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 121.501 0.667 . . . . 0.0 110.551 -172.642 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.43 ' OE1' ' HD2' ' A' ' 18' ' ' ARG . 7.7 mm-40 -88.4 15.59 7.6 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 115.063 -0.971 . . . . 0.0 111.136 179.6 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -81.07 157.76 25.29 Favored 'General case' 0 N--CA 1.414 -2.272 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 -177.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.6 p -131.62 138.58 52.61 Favored 'Isoleucine or valine' 0 C--N 1.26 -3.315 0 CA-C-N 114.596 -1.183 . . . . 0.0 107.89 178.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 32.2 pt -137.3 172.43 14.78 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 -178.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -137.13 82.24 1.92 Allowed 'General case' 0 C--N 1.298 -1.66 0 CA-C-O 121.911 0.862 . . . . 0.0 109.163 176.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.436 HD21 ' HB3' ' B' ' 14' ' ' GLU . 9.2 mp -119.24 175.68 5.68 Favored 'General case' 0 C--N 1.305 -1.351 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.931 -178.255 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 35.1 m -147.52 162.51 38.92 Favored 'General case' 0 C--N 1.3 -1.584 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.078 -178.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 47.46 -121.13 6.28 Favored Glycine 0 C--O 1.244 0.781 0 N-CA-C 115.791 1.076 . . . . 0.0 115.791 172.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . 0.511 ' O ' ' HG2' ' B' ' 17' ' ' ARG . 31.5 ttm180 -66.87 -28.94 68.74 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-N 114.014 -1.093 . . . . 0.0 111.576 -176.752 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . 0.436 ' HB3' HD21 ' B' ' 10' ' ' LEU . 7.8 mp0 -71.26 -31.36 67.42 Favored 'General case' 0 CA--C 1.519 -0.242 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 179.588 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 98.2 mt -64.34 -41.1 96.95 Favored 'General case' 0 CA--C 1.502 -0.882 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 174.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . 0.497 ' O ' HG12 ' B' ' 20' ' ' ILE . 45.1 t -64.99 -41.81 93.09 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.775 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.306 178.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . 0.511 ' HG2' ' O ' ' B' ' 13' ' ' ARG . 38.9 mmt180 -53.36 -54.16 40.64 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.449 176.313 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.36 -37.62 84.03 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.695 -179.312 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . 0.654 ' O ' HG22 ' B' ' 22' ' ' ILE . 53.1 mt-30 -66.68 -52.19 47.55 Favored 'General case' 0 C--N 1.313 -1.006 0 C-N-CA 123.964 0.906 . . . . 0.0 111.556 177.569 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . 0.497 HG12 ' O ' ' B' ' 16' ' ' VAL . 46.2 mm -64.27 -37.97 81.29 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.744 0 CA-C-O 121.02 0.438 . . . . 0.0 110.08 179.205 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.76 -33.4 70.75 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.14 179.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . 0.654 HG22 ' O ' ' B' ' 19' ' ' GLN . 7.7 tt -66.1 -38.6 82.36 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.276 0 CA-C-O 121.166 0.508 . . . . 0.0 109.667 -178.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 93.1 m -81.13 -24.18 37.81 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.437 0.637 . . . . 0.0 111.552 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.67 -18.36 66.09 Favored Glycine 0 C--N 1.292 -1.892 0 CA-C-N 115.433 -0.803 . . . . 0.0 112.625 177.236 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 57.7 ttm -136.06 74.66 1.51 Allowed 'General case' 0 N--CA 1.43 -1.452 0 CA-C-O 122.492 1.139 . . . . 0.0 109.774 179.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 49.1 m -108.87 45.61 1.03 Allowed 'General case' 0 C--N 1.278 -2.517 0 CA-C-N 114.049 -1.432 . . . . 0.0 107.516 174.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 18.0 m -60.51 -39.47 87.9 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 114.89 -1.05 . . . . 0.0 111.88 -174.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' TRP . . . . . 0.448 ' HB2' ' HE1' ' B' ' 3' ' ' TRP . 58.4 m95 -104.84 100.28 9.9 Favored 'General case' 0 C--N 1.266 -3.03 0 CA-C-N 114.707 -1.133 . . . . 0.0 109.046 179.394 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 68.6 m -128.86 97.68 4.73 Favored 'General case' 0 C--N 1.302 -1.499 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.882 -179.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.417 0 CA-C-N 116.565 -0.289 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.589 0 CA-C-O 122.057 0.932 . . . . 0.0 110.617 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.4 mp -82.4 -42.02 19.17 Favored 'General case' 0 C--N 1.292 -1.906 0 CA-C-N 113.595 -1.639 . . . . 0.0 109.411 -178.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -73.2 -43.8 60.75 Favored 'General case' 0 C--N 1.302 -1.457 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 46.7 t -54.92 -39.05 68.42 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.832 171.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.14 -37.84 84.27 Favored 'General case' 0 C--O 1.212 -0.911 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.004 178.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.455 HD23 HD23 ' A' ' 20' ' ' LEU . 68.3 tp -53.24 -43.26 67.19 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.114 0.565 . . . . 0.0 111.235 179.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.03 -43.64 91.71 Favored 'General case' 0 C--O 1.248 1.004 0 CA-C-O 121.299 0.571 . . . . 0.0 110.952 -178.057 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 65.2 m-20 -73.57 -43.44 59.81 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.197 -178.237 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 41.2 tptt -62.18 -42.26 99.11 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.056 -175.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.538 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 7.2 t -68.71 -35.49 77.22 Favored 'General case' 0 C--N 1.312 -1.033 0 O-C-N 123.537 0.523 . . . . 0.0 110.081 -179.446 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.0 t -74.46 -31.12 62.13 Favored 'General case' 0 N--CA 1.433 -1.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.351 -177.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -83.21 -56.77 3.59 Favored 'General case' 0 CA--C 1.513 -0.451 0 N-CA-C 112.038 0.385 . . . . 0.0 112.038 178.501 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 26.1 m -115.66 -49.21 4.71 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 CA-C-O 121.166 0.508 . . . . 0.0 112.204 -175.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.538 ' C ' ' HA ' ' A' ' 10' ' ' CYS . . . 149.47 172.31 18.92 Favored Glycine 0 C--N 1.289 -2.073 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 177.274 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.59 ' SG ' HD22 ' A' ' 20' ' ' LEU . 26.3 p -142.18 163.12 33.73 Favored 'General case' 0 C--N 1.291 -1.966 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 -177.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.3 p -99.57 152.12 20.39 Favored 'General case' 0 N--CA 1.406 -2.648 0 CA-C-O 121.609 0.719 . . . . 0.0 111.226 179.437 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -64.06 -41.07 97.49 Favored 'General case' 0 C--N 1.295 -1.763 0 CA-C-N 114.973 -1.012 . . . . 0.0 109.208 -177.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.449 ' HB3' ' HG2' ' B' ' 4' ' ' MET . 13.5 ptm180 -55.63 -35.49 65.96 Favored 'General case' 0 N--CA 1.489 1.507 0 CA-C-O 122.265 1.031 . . . . 0.0 111.891 173.16 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.451 ' O ' ' HG2' ' A' ' 22' ' ' ARG . 12.4 t -73.78 -36.62 65.08 Favored 'General case' 0 C--N 1.276 -2.626 0 CA-C-N 114.258 -1.337 . . . . 0.0 110.296 -177.196 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.59 HD22 ' SG ' ' A' ' 15' ' ' CYS . 6.1 mt -75.99 -28.03 57.66 Favored 'General case' 0 CA--C 1.499 -0.988 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 176.135 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.14 -41.19 83.17 Favored 'General case' 0 C--N 1.32 -0.681 0 O-C-N 123.871 0.732 . . . . 0.0 111.061 178.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.451 ' HG2' ' O ' ' A' ' 19' ' ' SER . 12.5 ptm180 -77.41 2.02 17.28 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-O 121.231 0.539 . . . . 0.0 112.081 -178.572 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -114.02 -68.17 0.94 Allowed 'General case' 0 N--CA 1.442 -0.873 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 176.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 40.9 t 63.86 -75.99 0.04 OUTLIER 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 113.723 -1.581 . . . . 0.0 112.534 178.048 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.102 0 O-C-N 121.547 -0.721 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . 0.426 ' O ' ' HG3' ' B' ' 4' ' ' MET . 11.5 p-10 . . . . . 0 C--O 1.206 -1.189 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 4.9 m -57.62 -18.35 19.6 Favored 'General case' 0 N--CA 1.489 1.477 0 CA-C-O 122.281 1.039 . . . . 0.0 113.055 -179.057 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' TRP . . . . . 0.404 ' CD1' ' HB2' ' B' ' 28' ' ' TRP . 28.6 p-90 -75.58 -8.96 58.09 Favored 'General case' 0 C--N 1.283 -2.32 0 CA-C-N 114.064 -1.425 . . . . 0.0 111.694 179.391 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' MET . . . . . 0.506 ' O ' ' HB3' ' A' ' 17' ' ' LYS . 66.5 mtm -63.96 -25.71 68.26 Favored 'General case' 0 CA--C 1.502 -0.891 0 CA-C-O 120.714 0.292 . . . . 0.0 111.647 -177.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -81.01 84.94 6.35 Favored 'General case' 0 N--CA 1.426 -1.663 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 172.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -143.08 160.05 41.12 Favored 'General case' 0 N--CA 1.404 -2.733 0 N-CA-C 106.445 -1.687 . . . . 0.0 106.445 -177.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . 0.422 ' HA ' ' O ' ' A' ' 15' ' ' CYS . 7.2 p -141.15 119.52 9.84 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.654 0 O-C-N 124.455 1.097 . . . . 0.0 108.704 -178.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 17.4 pt -126.19 172.43 13.53 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.169 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.256 -175.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -133.68 91.85 2.9 Favored 'General case' 0 C--N 1.29 -2.019 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 10.8 mp -124.13 175.12 7.21 Favored 'General case' 0 C--N 1.302 -1.479 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.123 -177.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 40.5 m -145.5 157.56 43.98 Favored 'General case' 0 C--N 1.298 -1.642 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.366 -179.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 45.99 -115.98 1.95 Allowed Glycine 0 CA--C 1.502 -0.774 0 N-CA-C 116.418 1.327 . . . . 0.0 116.418 174.063 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 48.0 mtp180 -68.72 -27.57 66.05 Favored 'General case' 0 C--N 1.285 -2.206 0 CA-C-N 113.656 -1.272 . . . . 0.0 111.539 -177.002 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -70.19 -33.64 71.97 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 176.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 86.3 mt -61.88 -41.03 97.39 Favored 'General case' 0 CA--C 1.504 -0.806 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 175.467 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . 0.408 ' O ' HG12 ' B' ' 20' ' ' ILE . 43.8 t -65.05 -41.12 91.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.316 177.64 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -58.72 -43.0 90.01 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.462 176.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.99 -36.11 79.45 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-O 121.219 0.533 . . . . 0.0 110.613 178.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . 0.648 ' O ' HG21 ' B' ' 22' ' ' ILE . 92.9 mt-30 -64.17 -53.18 53.52 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.192 175.684 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . 0.408 HG12 ' O ' ' B' ' 16' ' ' VAL . 45.3 mm -55.6 -39.27 53.67 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.276 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.908 175.181 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.74 -32.24 73.33 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.658 -0.701 . . . . 0.0 112.196 179.413 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . 0.648 HG21 ' O ' ' B' ' 19' ' ' GLN . 0.2 OUTLIER -83.69 -29.7 7.68 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 -177.56 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 4.0 m -74.74 -22.82 58.59 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-O 121.088 0.471 . . . . 0.0 111.7 178.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -97.53 -98.47 1.99 Allowed Glycine 0 N--CA 1.41 -3.069 0 N-CA-C 107.44 -2.264 . . . . 0.0 107.44 170.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 27.1 ptt? 178.68 31.31 0.0 OUTLIER 'General case' 0 C--N 1.299 -1.588 0 C-N-CA 123.704 0.802 . . . . 0.0 108.966 177.064 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 1.2 m -74.19 3.8 6.63 Favored 'General case' 0 C--N 1.31 -1.15 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 -169.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 41.0 m -88.73 -16.99 30.84 Favored 'General case' 0 C--N 1.293 -1.873 0 CA-C-O 122.826 1.298 . . . . 0.0 107.943 174.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' TRP . . . . . 0.404 ' HB2' ' CD1' ' B' ' 3' ' ' TRP . 86.6 t90 -115.52 135.85 53.67 Favored 'General case' 0 C--N 1.276 -2.609 0 CA-C-N 113.096 -1.866 . . . . 0.0 108.313 -177.234 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 33.2 m -104.61 109.96 22.08 Favored 'General case' 0 C--N 1.294 -1.823 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 179.215 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.313 -1.01 0 CA-C-N 116.559 -0.292 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.825 0 CA-C-O 120.709 0.29 . . . . 0.0 110.658 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -68.86 -29.53 67.87 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.897 -177.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.513 ' O ' ' HB3' ' A' ' 6' ' ' LEU . 29.4 m-85 -69.99 -50.0 45.96 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.806 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.2 m -59.96 -38.12 81.55 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.953 174.102 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.02 -34.93 79.13 Favored 'General case' 0 C--O 1.219 -0.516 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.654 177.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.513 ' HB3' ' O ' ' A' ' 3' ' ' TYR . 41.5 tp -57.36 -46.21 83.59 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 123.82 0.848 . . . . 0.0 110.672 177.516 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.77 -51.14 71.03 Favored 'General case' 0 C--O 1.238 0.473 0 O-C-N 123.608 0.567 . . . . 0.0 110.353 -179.423 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -59.76 -45.75 91.3 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.457 178.595 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -61.56 -47.37 85.85 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.435 -177.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.486 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 7.6 t -67.92 -32.77 73.47 Favored 'General case' 0 C--N 1.3 -1.549 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.36 -175.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.4 t -75.73 -37.03 59.75 Favored 'General case' 0 N--CA 1.429 -1.486 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.31 -179.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 10.4 m170 -77.92 -52.62 8.56 Favored 'General case' 0 CA--C 1.507 -0.691 0 CA-C-O 121.052 0.453 . . . . 0.0 111.608 -179.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 17.3 m -121.54 -50.07 3.01 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.67 0 N-CA-C 113.148 0.796 . . . . 0.0 113.148 -176.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.486 ' C ' ' HA ' ' A' ' 10' ' ' CYS . . . 150.48 169.22 16.21 Favored Glycine 0 N--CA 1.431 -1.666 0 C-N-CA 120.982 -0.628 . . . . 0.0 112.248 178.163 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.555 ' SG ' HD11 ' A' ' 20' ' ' LEU . 27.0 p -142.81 160.2 40.78 Favored 'General case' 0 C--N 1.299 -1.59 0 CA-C-O 120.871 0.367 . . . . 0.0 110.875 -177.301 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.562 ' O ' HD13 ' A' ' 20' ' ' LEU . 19.9 p -93.35 143.82 25.91 Favored 'General case' 0 N--CA 1.405 -2.678 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.607 178.268 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.506 ' HB3' ' O ' ' B' ' 4' ' ' MET . 3.4 tppp? -60.48 -36.13 77.57 Favored 'General case' 0 C--N 1.307 -1.245 0 C-N-CA 124.007 0.923 . . . . 0.0 110.616 -176.802 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.6 mmm180 -61.63 -30.92 71.02 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.226 173.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.1 t -76.52 -33.49 58.59 Favored 'General case' 0 N--CA 1.426 -1.645 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.081 -176.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.562 HD13 ' O ' ' A' ' 16' ' ' THR . 2.0 mp -79.23 -29.43 42.73 Favored 'General case' 0 CA--C 1.498 -1.023 0 C-N-CA 119.048 -1.061 . . . . 0.0 108.983 174.471 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.436 ' HA ' HG22 ' B' ' 22' ' ' ILE . . . -52.91 -46.13 67.9 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 124.495 1.122 . . . . 0.0 112.033 179.394 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 28.8 ptt180 -67.92 -14.74 63.2 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.74 -176.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -107.14 -68.86 0.87 Allowed 'General case' 0 CA--C 1.494 -1.197 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 178.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 48.4 t 52.47 86.85 0.04 OUTLIER 'General case' 0 C--N 1.308 -1.233 0 CA-C-N 113.477 -1.692 . . . . 0.0 112.145 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.314 -0.975 0 O-C-N 122.081 -0.387 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 6' ' ' GLU . . . . . 0.408 ' O ' ' HA ' ' A' ' 16' ' ' THR . 24.8 mt-10 . . . . . 0 C--O 1.224 -0.27 0 N-CA-C 115.414 1.635 . . . . 0.0 115.414 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 4.0 p -126.62 117.6 48.58 Favored 'Isoleucine or valine' 0 C--N 1.277 -2.586 0 N-CA-C 106.866 -1.531 . . . . 0.0 106.866 172.519 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.48 ' HB ' HD13 ' B' ' 10' ' ' LEU . 23.2 pt -116.57 164.25 13.05 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.022 0 CA-C-O 121.178 0.513 . . . . 0.0 110.63 -174.584 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -129.52 76.36 1.72 Allowed 'General case' 0 C--N 1.29 -2.021 0 CA-C-N 114.796 -1.093 . . . . 0.0 108.676 178.522 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.48 HD13 ' HB ' ' B' ' 8' ' ' ILE . 10.3 mp -118.83 174.84 6.05 Favored 'General case' 0 CA--C 1.482 -1.643 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.147 -178.524 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 58.4 m -151.78 166.12 32.34 Favored 'General case' 0 C--N 1.287 -2.141 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 -177.444 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 45.34 -119.74 3.65 Favored Glycine 0 CA--C 1.501 -0.844 0 N-CA-C 116.531 1.372 . . . . 0.0 116.531 171.165 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 9.8 ptp85 -73.36 -28.09 61.85 Favored 'General case' 0 C--N 1.294 -1.828 0 CA-C-N 114.493 -0.853 . . . . 0.0 111.524 -175.366 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -73.33 -32.03 64.33 Favored 'General case' 0 CA--C 1.496 -1.126 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.596 ' O ' ' HG3' ' B' ' 19' ' ' GLN . 10.7 tp -66.57 -41.67 88.21 Favored 'General case' 0 N--CA 1.434 -1.259 0 CA-C-N 114.403 -1.272 . . . . 0.0 108.695 179.469 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 16' ' ' VAL . . . . . 0.445 ' O ' HG12 ' B' ' 20' ' ' ILE . 57.5 t -69.46 -38.83 77.79 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.439 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.407 178.354 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 52.1 mtp180 -57.46 -45.25 84.98 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-O 120.868 0.366 . . . . 0.0 111.019 175.442 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.98 -37.96 89.38 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.248 178.422 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' GLN . . . . . 0.596 ' HG2' ' HB3' ' A' ' 20' ' ' LEU . 47.0 mt-30 -62.71 -55.87 22.82 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.749 177.098 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 20' ' ' ILE . . . . . 0.445 HG12 ' O ' ' B' ' 16' ' ' VAL . 46.6 mm -53.7 -44.41 58.51 Favored 'Isoleucine or valine' 0 C--O 1.242 0.674 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.161 178.085 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.98 -49.56 67.4 Favored 'General case' 0 N--CA 1.438 -1.025 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.165 179.157 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.551 1.007 0 CA-C-O 121.032 0.444 . . . . 0.0 110.955 -176.167 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 -0.258 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 41.0 tp -63.0 -47.89 81.15 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.478 178.108 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.14 -49.42 66.6 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 123.643 0.777 . . . . 0.0 111.702 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -65.75 -45.25 83.29 Favored 'General case' 0 CA--C 1.506 -0.742 0 O-C-N 123.239 0.337 . . . . 0.0 110.777 177.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -59.65 -50.38 74.1 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.736 -176.203 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.406 ' HA ' ' HA2' ' A' ' 14' ' ' GLY . 33.5 m -67.66 -31.55 71.62 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-O 120.833 0.349 . . . . 0.0 110.6 -178.357 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.1 t -79.24 -24.85 42.75 Favored 'General case' 0 N--CA 1.429 -1.503 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.195 -176.168 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -92.31 -63.67 1.21 Allowed 'General case' 0 N--CA 1.446 -0.645 0 CA-C-O 121.181 0.515 . . . . 0.0 111.124 179.099 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 17.0 m -108.25 -45.13 7.04 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.514 0 CA-C-O 121.533 0.682 . . . . 0.0 111.388 -174.046 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.406 ' HA2' ' HA ' ' A' ' 10' ' ' CYS . . . 132.52 176.07 14.25 Favored Glycine 0 N--CA 1.412 -2.921 0 N-CA-C 110.375 -1.09 . . . . 0.0 110.375 178.734 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.8 p -151.55 163.39 39.15 Favored 'General case' 0 C--N 1.281 -2.397 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 -179.374 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.508 ' O ' HD12 ' A' ' 20' ' ' LEU . 18.9 p -82.0 145.39 30.27 Favored 'General case' 0 N--CA 1.391 -3.379 0 CA-C-O 121.118 0.485 . . . . 0.0 110.104 179.111 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.7 tptm -64.79 -26.4 68.33 Favored 'General case' 0 C--N 1.273 -2.721 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 179.068 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.9 mtm180 -67.92 -28.43 67.48 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.435 -1.257 . . . . 0.0 110.125 174.086 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.445 ' O ' ' HG2' ' A' ' 22' ' ' ARG . 23.5 p -73.31 -45.69 53.95 Favored 'General case' 0 N--CA 1.438 -1.052 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 -178.151 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.596 ' HB3' ' HG2' ' B' ' 19' ' ' GLN . 1.7 mp -68.54 -27.62 66.26 Favored 'General case' 0 CA--C 1.501 -0.905 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 177.471 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.79 -38.96 87.1 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.904 176.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.445 ' HG2' ' O ' ' A' ' 19' ' ' SER . 3.3 ptm180 . . . . . 0 C--N 1.317 -0.844 0 C-N-CA 119.661 -0.816 . . . . 0.0 111.268 -179.399 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 6' ' ' GLU . . . . . 0.59 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 24.3 tt0 . . . . . 0 N--CA 1.417 -2.106 0 N-CA-C 103.937 -2.616 . . . . 0.0 103.937 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 10.5 p -137.84 137.8 44.65 Favored 'Isoleucine or valine' 0 C--N 1.276 -2.613 0 O-C-N 123.613 0.571 . . . . 0.0 111.378 -172.314 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 18.9 pt -136.64 172.34 15.34 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.356 0 CA-C-N 115.368 -0.833 . . . . 0.0 108.998 178.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' LYS . . . . . 0.461 ' HE3' ' O ' ' A' ' 13' ' ' VAL . 63.0 mttp -137.16 86.96 2.24 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 179.177 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.446 HD13 ' HA ' ' B' ' 10' ' ' LEU . 1.2 mm? -124.21 176.58 6.33 Favored 'General case' 0 CA--C 1.47 -2.121 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 -179.5 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 13.4 m -154.55 166.09 34.43 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 107.237 -1.394 . . . . 0.0 107.237 -175.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 51.33 -136.35 31.14 Favored Glycine 0 C--O 1.238 0.353 0 O-C-N 123.78 0.675 . . . . 0.0 114.419 173.188 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.07 -10.01 59.71 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -178.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -75.68 -29.1 58.92 Favored 'General case' 0 C--O 1.241 0.639 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 176.536 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.55 ' O ' ' HG3' ' B' ' 19' ' ' GLN . 14.1 tp -73.4 -42.09 62.52 Favored 'General case' 0 N--CA 1.428 -1.559 0 CA-C-N 113.592 -1.64 . . . . 0.0 107.749 177.61 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 94.6 t -65.03 -40.99 90.86 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.59 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 49.7 ttp180 -52.43 -52.29 54.76 Favored 'General case' 0 C--O 1.251 1.176 0 C-N-CA 124.356 1.062 . . . . 0.0 108.761 177.077 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' ALA . . . . . 0.573 ' O ' HG13 ' B' ' 22' ' ' ILE . . . -60.19 -51.22 70.49 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 113.456 -1.702 . . . . 0.0 110.746 176.461 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 19' ' ' GLN . . . . . 0.604 ' HG2' ' HB3' ' A' ' 20' ' ' LEU . 93.4 mt-30 -48.81 -56.32 9.04 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.139 0.975 . . . . 0.0 112.415 179.511 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 47.7 mm -53.7 -41.72 48.37 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.827 179.281 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.0 -41.56 95.28 Favored 'General case' 0 C--O 1.219 -0.512 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.654 178.648 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.573 HG13 ' O ' ' B' ' 18' ' ' ALA . 45.3 mt . . . . . 0 C--N 1.312 -1.043 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.405 -177.247 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.512 -0.495 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.513 HD21 ' HA ' ' A' ' 20' ' ' LEU . 37.2 tp -54.39 -46.71 73.16 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.243 175.636 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.76 -50.75 71.35 Favored 'General case' 0 CA--C 1.508 -0.666 0 O-C-N 123.689 0.618 . . . . 0.0 110.641 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -61.67 -49.25 77.26 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.811 179.18 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt -59.23 -43.62 92.35 Favored 'General case' 0 C--N 1.317 -0.814 0 C-N-CA 122.801 0.44 . . . . 0.0 111.768 -179.304 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.473 ' HA ' ' CA ' ' A' ' 14' ' ' GLY . 10.9 t -74.79 -27.98 60.54 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-O 121.132 0.491 . . . . 0.0 110.383 -177.874 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.9 t -76.89 -24.99 52.53 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-O 121.499 0.666 . . . . 0.0 109.393 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 53.7 m80 -94.64 -69.66 0.74 Allowed 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.708 177.763 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.461 ' O ' ' HE3' ' B' ' 9' ' ' LYS . 19.7 m -95.15 -47.91 13.01 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.159 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.794 -176.19 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.473 ' CA ' ' HA ' ' A' ' 10' ' ' CYS . . . 136.45 174.41 13.33 Favored Glycine 0 C--N 1.285 -2.261 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 177.622 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.503 ' SG ' HD11 ' A' ' 20' ' ' LEU . 20.2 p -139.77 153.77 47.23 Favored 'General case' 0 C--N 1.287 -2.113 0 CA-C-O 120.886 0.374 . . . . 0.0 111.292 -177.149 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.575 ' O ' HD12 ' A' ' 20' ' ' LEU . 61.3 p -89.82 146.55 24.37 Favored 'General case' 0 N--CA 1.415 -2.217 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 176.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.59 ' HB2' ' HB3' ' B' ' 6' ' ' GLU . 2.6 tptm -52.7 -44.85 66.58 Favored 'General case' 0 C--N 1.283 -2.295 0 C-N-CA 124.543 1.137 . . . . 0.0 112.533 -175.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.45 ' HD2' ' HA ' ' A' ' 18' ' ' ARG . 7.5 mmm180 -71.06 -20.39 62.37 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 119.925 -0.71 . . . . 0.0 112.871 175.812 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.3 t -71.43 -41.21 69.77 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 178.208 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.604 ' HB3' ' HG2' ' B' ' 19' ' ' GLN . 3.9 mp -67.41 -38.12 84.14 Favored 'General case' 0 CA--C 1.489 -1.373 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 174.746 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.45 ' HB2' ' CG2' ' B' ' 22' ' ' ILE . . . -60.12 -25.72 65.68 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 114.59 -1.187 . . . . 0.0 113.728 -179.045 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.0 ptp180 . . . . . 0 C--N 1.327 -0.373 0 C-N-CA 119.312 -0.955 . . . . 0.0 110.977 178.692 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 6' ' ' GLU . . . . . 0.672 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 22.7 tt0 . . . . . 0 CA--C 1.499 -0.982 0 N-CA-C 106.901 -1.518 . . . . 0.0 106.901 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 7' ' ' VAL . . . . . 0.404 ' HA ' ' HA ' ' A' ' 16' ' ' THR . 6.0 p -148.6 123.26 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.282 -2.355 0 O-C-N 124.302 1.001 . . . . 0.0 108.862 -179.682 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 18.7 pt -125.26 169.82 16.15 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.97 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.985 -176.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -127.78 88.01 2.71 Favored 'General case' 0 C--N 1.29 -2.014 0 CA-C-N 115.252 -0.886 . . . . 0.0 108.879 177.372 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 10.6 mp -119.76 170.34 9.3 Favored 'General case' 0 C--N 1.291 -1.956 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.657 178.048 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 48.9 t -161.92 164.11 28.71 Favored 'General case' 0 C--N 1.281 -2.386 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 -175.457 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 54.15 -130.53 44.33 Favored Glycine 0 C--N 1.295 -1.725 0 O-C-N 124.573 1.17 . . . . 0.0 113.638 178.737 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' ARG . . . . . 0.427 ' O ' ' HG3' ' B' ' 17' ' ' ARG . 71.3 ttt180 -66.48 -35.29 79.92 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-N 114.838 -0.681 . . . . 0.0 111.9 -178.77 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -64.88 -35.83 82.39 Favored 'General case' 0 CA--C 1.5 -0.95 0 C-N-CA 120.363 -0.535 . . . . 0.0 109.674 -177.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.437 ' CD2' ' HA ' ' A' ' 7' ' ' ALA . 35.8 tp -65.13 -41.64 94.63 Favored 'General case' 0 N--CA 1.438 -1.044 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.429 -178.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 74.7 t -68.94 -37.94 77.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.017 177.724 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' ARG . . . . . 0.427 ' HG3' ' O ' ' B' ' 13' ' ' ARG . 81.8 mtp180 -60.83 -41.22 95.36 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.31 178.126 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 18' ' ' ALA . . . . . 0.585 ' O ' HG13 ' B' ' 22' ' ' ILE . . . -67.61 -46.52 72.3 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.879 177.33 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 19' ' ' GLN . . . . . 0.642 ' HG2' ' HB3' ' A' ' 20' ' ' LEU . 94.2 mt-30 -50.92 -57.8 7.62 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.048 0.939 . . . . 0.0 111.352 177.837 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 1.7 mp -59.51 -36.49 64.98 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.185 0 CA-C-N 115.277 -0.874 . . . . 0.0 112.122 178.729 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.76 -44.05 91.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.745 0.307 . . . . 0.0 110.427 178.461 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.585 HG13 ' O ' ' B' ' 18' ' ' ALA . 64.0 mt . . . . . 0 C--O 1.214 -0.808 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.712 178.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.524 HD21 ' HA ' ' A' ' 20' ' ' LEU . 54.9 tp -58.67 -43.76 89.97 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 116.719 -0.219 . . . . 0.0 110.513 176.838 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.437 ' HA ' ' CD2' ' B' ' 15' ' ' LEU . . . -54.68 -53.89 48.89 Favored 'General case' 0 N--CA 1.447 -0.582 0 O-C-N 123.88 0.738 . . . . 0.0 111.076 -179.619 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -67.09 -46.43 74.26 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.069 -179.141 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt -60.99 -42.89 99.29 Favored 'General case' 0 C--O 1.212 -0.913 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -178.44 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.431 ' HA ' ' CA ' ' A' ' 14' ' ' GLY . 13.5 t -77.02 -24.97 52.11 Favored 'General case' 0 C--N 1.299 -1.612 0 CA-C-O 121.234 0.54 . . . . 0.0 109.82 -178.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.6 t -70.98 -36.11 72.37 Favored 'General case' 0 N--CA 1.438 -1.038 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 178.747 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 73.1 m80 -92.84 -68.36 0.8 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.17 -0.468 . . . . 0.0 112.218 179.611 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 19.8 m -88.88 -47.8 15.04 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.987 0 N-CA-C 112.653 0.612 . . . . 0.0 112.653 -176.136 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.431 ' CA ' ' HA ' ' A' ' 10' ' ' CYS . . . 133.86 174.71 13.62 Favored Glycine 0 C--N 1.286 -2.217 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 178.219 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.4 p -144.78 152.27 40.08 Favored 'General case' 0 C--N 1.292 -1.935 0 CA-C-O 121.093 0.473 . . . . 0.0 111.296 -177.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.532 ' O ' HD12 ' A' ' 20' ' ' LEU . 20.8 p -82.6 153.19 25.58 Favored 'General case' 0 N--CA 1.409 -2.511 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 176.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.672 ' HB2' ' HB3' ' B' ' 6' ' ' GLU . 10.3 tptm -62.48 -32.72 73.66 Favored 'General case' 0 C--N 1.28 -2.433 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.775 -176.139 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 65.1 mtm180 -65.29 -26.83 68.24 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-O 120.868 0.366 . . . . 0.0 111.516 172.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.414 ' HB3' ' O ' ' A' ' 16' ' ' THR . 32.0 t -73.83 -43.21 59.45 Favored 'General case' 0 N--CA 1.43 -1.45 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 -176.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.642 ' HB3' ' HG2' ' B' ' 19' ' ' GLN . 1.6 mp -71.08 -35.66 71.95 Favored 'General case' 0 CA--C 1.505 -0.771 0 C-N-CA 119.073 -1.051 . . . . 0.0 108.881 177.298 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.549 ' HB2' HG21 ' B' ' 22' ' ' ILE . . . -61.78 -33.52 74.24 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 114.894 -1.048 . . . . 0.0 112.487 -177.64 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 . . . . . 0 C--N 1.319 -0.749 0 N-CA-C 112.192 0.441 . . . . 0.0 112.192 -176.902 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 6' ' ' GLU . . . . . 0.617 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 27.9 tt0 . . . . . 0 N--CA 1.429 -1.505 0 N-CA-C 107.516 -1.29 . . . . 0.0 107.516 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 8.5 p -141.41 128.48 20.91 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.316 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 178.315 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 23.9 pt -127.95 171.85 15.56 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.012 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 -177.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 9' ' ' LYS . . . . . 0.4 ' HE3' ' O ' ' A' ' 12' ' ' HIS . 88.4 tttt -134.75 82.28 1.95 Allowed 'General case' 0 C--N 1.291 -1.97 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 177.669 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.468 HD23 ' HB3' ' B' ' 14' ' ' GLU . 9.8 mp -118.96 175.59 5.69 Favored 'General case' 0 C--N 1.299 -1.609 0 CA-C-N 115.131 -0.941 . . . . 0.0 109.612 -179.004 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 35.0 m -144.48 160.8 40.49 Favored 'General case' 0 C--N 1.287 -2.128 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.181 -178.283 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 42.82 -116.42 1.22 Allowed Glycine 0 C--N 1.335 0.487 0 N-CA-C 116.678 1.431 . . . . 0.0 116.678 173.056 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -68.81 -25.11 64.51 Favored 'General case' 0 C--N 1.291 -1.936 0 CA-C-N 113.39 -1.405 . . . . 0.0 112.025 -174.115 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' GLU . . . . . 0.468 ' HB3' HD23 ' B' ' 10' ' ' LEU . 42.2 mt-10 -77.83 -29.69 50.73 Favored 'General case' 0 N--CA 1.44 -0.968 0 C-N-CA 120.575 -0.45 . . . . 0.0 109.945 179.701 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.51 ' CD1' ' HA ' ' A' ' 7' ' ' ALA . 95.8 mt -64.0 -41.4 97.5 Favored 'General case' 0 CA--C 1.501 -0.913 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.013 173.748 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 55.1 t -65.34 -41.69 91.9 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.719 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.269 178.452 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 19.8 mmm180 -59.54 -41.25 89.65 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 111.96 0.355 . . . . 0.0 111.96 176.289 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' ALA . . . . . 0.454 ' O ' HG13 ' B' ' 22' ' ' ILE . . . -66.93 -44.97 79.28 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.709 178.589 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 19' ' ' GLN . . . . . 0.44 ' CG ' ' HB3' ' A' ' 20' ' ' LEU . 87.1 mt-30 -54.43 -54.27 43.02 Favored 'General case' 0 C--O 1.24 0.592 0 C-N-CA 124.048 0.939 . . . . 0.0 110.999 176.066 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 80.9 mt -56.57 -43.03 77.55 Favored 'Isoleucine or valine' 0 C--O 1.251 1.165 0 CA-C-N 114.918 -1.037 . . . . 0.0 110.753 177.621 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.47 -44.1 97.22 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.703 179.074 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.454 HG13 ' O ' ' B' ' 18' ' ' ALA . 74.3 mt . . . . . 0 N--CA 1.477 0.893 0 C-N-CA 124.392 1.077 . . . . 0.0 111.669 178.551 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.481 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 64.8 tp -58.07 -44.11 87.34 Favored 'General case' 0 C--O 1.235 0.323 0 O-C-N 123.293 0.371 . . . . 0.0 110.646 178.339 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.51 ' HA ' ' CD1' ' B' ' 15' ' ' LEU . . . -56.07 -52.09 65.52 Favored 'General case' 0 N--CA 1.451 -0.403 0 O-C-N 123.928 0.768 . . . . 0.0 111.301 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -68.64 -45.94 70.51 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.102 -178.354 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 60.6 mtpt -60.41 -45.5 93.37 Favored 'General case' 0 C--N 1.312 -1.046 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 -178.521 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.485 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 11.5 t -73.48 -28.45 61.94 Favored 'General case' 0 C--N 1.304 -1.395 0 C-N-CA 120.766 -0.373 . . . . 0.0 110.309 -178.605 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 8.7 t -75.66 -32.73 60.29 Favored 'General case' 0 N--CA 1.432 -1.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.194 -178.406 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.4 ' O ' ' HE3' ' B' ' 9' ' ' LYS . 59.6 m80 -88.07 -61.0 1.81 Allowed 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.613 -0.435 . . . . 0.0 111.703 179.388 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 19.7 m -101.18 -47.84 11.44 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.128 0 CA-C-O 121.404 0.621 . . . . 0.0 112.344 -176.671 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.485 ' C ' ' HA ' ' A' ' 10' ' ' CYS . . . 139.04 173.7 13.14 Favored Glycine 0 C--N 1.282 -2.441 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 178.302 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.522 ' SG ' HD11 ' A' ' 20' ' ' LEU . 22.8 p -139.49 152.54 47.05 Favored 'General case' 0 C--N 1.285 -2.226 0 CA-C-O 121.404 0.621 . . . . 0.0 111.446 -177.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.505 ' O ' HD12 ' A' ' 20' ' ' LEU . 3.3 p -86.66 145.16 26.82 Favored 'General case' 0 N--CA 1.397 -3.119 0 CA-C-N 114.843 -1.071 . . . . 0.0 108.894 177.703 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.617 ' HB2' ' HB3' ' B' ' 6' ' ' GLU . 12.8 tptm -63.37 -30.58 71.69 Favored 'General case' 0 C--N 1.293 -1.883 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.441 -175.442 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.3 mmm180 -65.57 -25.0 67.22 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-O 121.095 0.474 . . . . 0.0 110.673 174.097 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.491 ' HB3' ' O ' ' A' ' 16' ' ' THR . 47.8 t -76.81 -45.12 29.87 Favored 'General case' 0 N--CA 1.434 -1.261 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.708 -178.641 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.542 ' H ' HD12 ' A' ' 20' ' ' LEU . 1.7 mp -70.26 -29.52 66.34 Favored 'General case' 0 CA--C 1.494 -1.176 0 C-N-CA 119.037 -1.065 . . . . 0.0 108.993 178.138 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.03 -37.8 88.8 Favored 'General case' 0 C--N 1.309 -1.167 0 O-C-N 124.109 0.881 . . . . 0.0 110.479 177.694 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.6 tpm_? . . . . . 0 C--N 1.32 -0.714 0 CA-C-O 121.572 0.701 . . . . 0.0 111.023 179.587 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 6' ' ' GLU . . . . . 0.571 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 22.3 tt0 . . . . . 0 N--CA 1.432 -1.364 0 N-CA-C 105.077 -2.194 . . . . 0.0 105.077 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.68 134.8 13.75 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.474 0 O-C-N 123.671 0.607 . . . . 0.0 109.545 -176.338 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -135.93 166.24 27.62 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.638 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -124.05 84.92 2.34 Favored 'General case' 0 C--N 1.311 -1.103 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 177.322 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 10.9 mp -117.03 175.79 5.43 Favored 'General case' 0 C--N 1.294 -1.835 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.942 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 38.2 t -158.45 166.43 32.22 Favored 'General case' 0 C--N 1.282 -2.348 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 -178.751 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 45.2 -125.2 6.76 Favored Glycine 0 C--O 1.266 2.15 0 O-C-N 124.671 1.232 . . . . 0.0 115.759 177.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' B' ' 13' ' ' ARG . 18.7 ptt180 -65.22 -23.55 67.1 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 114.174 -1.013 . . . . 0.0 111.188 -178.233 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 14' ' ' GLU . . . . . 0.409 ' O ' ' HB2' ' B' ' 17' ' ' ARG . 45.8 mt-10 -72.21 -34.87 68.7 Favored 'General case' 0 N--CA 1.439 -1.001 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 -178.27 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.407 ' CD1' ' HA ' ' A' ' 7' ' ' ALA . 95.5 mt -62.91 -41.98 99.64 Favored 'General case' 0 CA--C 1.489 -1.377 0 N-CA-C 108.658 -0.868 . . . . 0.0 108.658 174.737 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 25.3 t -64.66 -39.65 86.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.704 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' ARG . . . . . 0.47 ' HA ' ' NE ' ' B' ' 17' ' ' ARG . 2.7 mmp_? -53.67 -50.35 65.99 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.601 175.153 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 18' ' ' ALA . . . . . 0.618 ' O ' HG13 ' B' ' 22' ' ' ILE . . . -65.93 -50.08 65.69 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 114.927 -1.033 . . . . 0.0 110.944 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 19' ' ' GLN . . . . . 0.492 ' HG2' ' HB3' ' A' ' 20' ' ' LEU . 94.6 mt-30 -51.67 -55.79 17.4 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 124.208 1.003 . . . . 0.0 111.705 -179.766 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 79.9 mt -59.36 -37.94 72.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.586 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.34 -35.81 82.07 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.185 0.516 . . . . 0.0 110.148 177.642 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.618 HG13 ' O ' ' B' ' 18' ' ' ALA . 64.3 mt . . . . . 0 C--N 1.317 -0.834 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.728 177.165 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.213 -0.818 0 CA-C-O 119.406 -0.33 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.528 HD21 ' HA ' ' A' ' 20' ' ' LEU . 54.5 tp -52.94 -44.45 67.06 Favored 'General case' 0 N--CA 1.488 1.444 0 CA-C-O 120.912 0.387 . . . . 0.0 110.35 178.696 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.407 ' HA ' ' CD1' ' B' ' 15' ' ' LEU . . . -57.74 -51.29 70.15 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 114.7 -1.136 . . . . 0.0 110.352 178.668 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -61.15 -48.33 82.09 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.807 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp -59.03 -49.94 75.97 Favored 'General case' 0 C--N 1.308 -1.213 0 C-N-CA 123.85 0.86 . . . . 0.0 112.694 -177.639 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.454 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 7.5 t -71.18 -26.59 63.04 Favored 'General case' 0 C--N 1.302 -1.48 0 CA-C-O 121.327 0.584 . . . . 0.0 110.291 -176.539 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.4 t -75.36 -25.62 57.88 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.582 -178.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 32.5 m80 -101.92 -58.47 1.87 Allowed 'General case' 0 CA--C 1.515 -0.37 0 N-CA-C 112.978 0.732 . . . . 0.0 112.978 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 19.0 m -104.19 -44.54 9.04 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 -177.123 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.454 ' C ' ' HA ' ' A' ' 10' ' ' CYS . . . 137.47 176.22 14.3 Favored Glycine 0 C--N 1.293 -1.859 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 177.411 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.481 ' SG ' HD11 ' A' ' 20' ' ' LEU . 20.8 p -142.76 155.02 44.78 Favored 'General case' 0 C--N 1.298 -1.661 0 CA-C-O 121.022 0.439 . . . . 0.0 111.714 -177.851 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.54 ' O ' HD12 ' A' ' 20' ' ' LEU . 10.8 p -89.94 144.89 25.54 Favored 'General case' 0 N--CA 1.415 -2.176 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.154 177.35 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.571 ' HB2' ' HB3' ' B' ' 6' ' ' GLU . 13.7 tptm -59.3 -41.38 88.85 Favored 'General case' 0 C--N 1.289 -2.059 0 C-N-CA 123.787 0.835 . . . . 0.0 112.53 -172.765 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.0 mmm180 -68.86 -20.78 64.29 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 120.351 -0.54 . . . . 0.0 111.782 175.552 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.7 t -73.29 -38.45 65.88 Favored 'General case' 0 C--N 1.31 -1.148 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.54 HD12 ' O ' ' A' ' 16' ' ' THR . 2.1 mp -72.75 -36.9 67.82 Favored 'General case' 0 CA--C 1.496 -1.127 0 C-N-CA 118.737 -1.185 . . . . 0.0 108.486 175.028 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.504 ' HB2' HG21 ' B' ' 22' ' ' ILE . . . -59.02 -35.72 73.75 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 114.828 -1.078 . . . . 0.0 113.092 -178.297 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 . . . . . 0 C--N 1.323 -0.577 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -176.225 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 6' ' ' GLU . . . . . 0.486 ' O ' ' HA ' ' A' ' 16' ' ' THR . 8.1 mm-40 . . . . . 0 C--O 1.215 -0.754 0 CA-C-O 121.396 0.617 . . . . 0.0 112.477 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.7 p -131.9 123.98 52.46 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.163 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 176.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.461 ' HB ' HD13 ' B' ' 10' ' ' LEU . 26.1 pt -121.0 162.14 20.12 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.6 0 CA-C-O 121.167 0.508 . . . . 0.0 110.493 -176.858 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 58.4 mtpt -139.32 63.26 1.51 Allowed 'General case' 0 C--N 1.295 -1.795 0 CA-C-N 114.684 -1.143 . . . . 0.0 108.62 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.461 HD13 ' HB ' ' B' ' 8' ' ' ILE . 7.5 mp -102.64 175.59 5.45 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.134 -177.628 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 64.3 m -149.79 165.1 33.5 Favored 'General case' 0 C--N 1.297 -1.681 0 O-C-N 123.756 0.66 . . . . 0.0 109.73 -178.545 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 51.32 -129.44 32.64 Favored Glycine 0 C--O 1.248 1.005 0 O-C-N 123.894 0.746 . . . . 0.0 114.922 175.501 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 17.1 ptp180 -74.17 -10.31 59.48 Favored 'General case' 0 C--N 1.309 -1.179 0 CA-C-N 115.057 -0.572 . . . . 0.0 111.542 -178.445 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.94 -34.91 64.48 Favored 'General case' 0 N--CA 1.442 -0.874 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 174.012 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 88.7 mt -64.37 -41.52 96.68 Favored 'General case' 0 C--O 1.208 -1.114 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.327 175.354 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 46.4 t -66.16 -41.03 88.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.704 178.536 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 31.1 tpt180 -54.92 -57.19 12.62 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 177.307 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' ALA . . . . . 0.471 ' HB1' ' HE3' ' A' ' 17' ' ' LYS . . . -56.84 -45.4 82.41 Favored 'General case' 0 C--N 1.305 -1.353 0 CA-C-N 113.44 -1.709 . . . . 0.0 111.621 179.057 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 19' ' ' GLN . . . . . 0.526 ' HA ' HG22 ' B' ' 22' ' ' ILE . 36.7 mt-30 -64.37 -53.53 47.09 Favored 'General case' 0 C--O 1.198 -1.618 0 N-CA-C 112.594 0.59 . . . . 0.0 112.594 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 46.8 mm -57.27 -38.17 60.46 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.946 0 CA-C-O 121.313 0.578 . . . . 0.0 110.037 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.36 -48.41 73.06 Favored 'General case' 0 N--CA 1.437 -1.116 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.84 178.043 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.526 HG22 ' HA ' ' B' ' 19' ' ' GLN . 8.5 tp . . . . . 0 C--O 1.213 -0.828 0 CA-C-O 121.011 0.434 . . . . 0.0 110.453 -178.631 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.243 0.761 0 CA-C-O 121.11 0.481 . . . . 0.0 109.755 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.409 ' HG ' ' SG ' ' A' ' 10' ' ' CYS . 51.1 tp -61.6 -38.19 86.68 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.219 -0.9 . . . . 0.0 109.809 178.557 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.22 -44.88 72.07 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.775 179.264 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 54.8 m-80 -62.67 -48.08 80.87 Favored 'General case' 0 CA--C 1.502 -0.899 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 177.453 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 59.0 mtpt -59.18 -47.84 83.83 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-N 115.193 -0.912 . . . . 0.0 112.429 -176.483 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.409 ' SG ' ' HG ' ' A' ' 6' ' ' LEU . 38.3 m -69.33 -28.03 65.88 Favored 'General case' 0 C--N 1.308 -1.228 0 O-C-N 122.213 -0.304 . . . . 0.0 110.989 -179.688 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 42.9 t -79.22 -37.34 38.36 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-O 121.223 0.535 . . . . 0.0 110.588 -178.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 62.1 m80 -86.23 -50.43 6.97 Favored 'General case' 0 C--N 1.31 -1.125 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -177.194 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.0 m -112.95 -46.1 5.23 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.806 0 CA-C-O 121.237 0.542 . . . . 0.0 112.394 -178.394 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 122.67 164.88 12.26 Favored Glycine 0 C--N 1.286 -2.214 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 178.381 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.5 p -150.92 164.49 36.2 Favored 'General case' 0 C--N 1.289 -2.053 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 -176.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.488 ' O ' HD12 ' A' ' 20' ' ' LEU . 38.3 p -78.46 151.67 32.51 Favored 'General case' 0 N--CA 1.397 -3.077 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 176.807 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.471 ' HE3' ' HB1' ' B' ' 18' ' ' ALA . 18.4 tptm -67.24 -25.22 65.98 Favored 'General case' 0 C--N 1.287 -2.134 0 N-CA-C 106.979 -1.489 . . . . 0.0 106.979 177.761 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 45.0 mmm-85 -66.07 -30.36 70.87 Favored 'General case' 0 C--N 1.339 0.129 0 CA-C-N 114.891 -1.05 . . . . 0.0 109.242 173.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.9 t -73.11 -37.68 66.6 Favored 'General case' 0 N--CA 1.426 -1.666 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.543 -178.258 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.531 ' H ' HD12 ' A' ' 20' ' ' LEU . 0.8 OUTLIER -75.94 -31.91 59.32 Favored 'General case' 0 C--O 1.212 -0.881 0 C-N-CA 118.366 -1.333 . . . . 0.0 108.65 174.027 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.6 -34.68 74.58 Favored 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 32.1 ptt180 . . . . . 0 C--N 1.319 -0.752 0 CA-C-O 120.732 0.301 . . . . 0.0 111.691 179.5 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 6' ' ' GLU . . . . . 0.546 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 8.7 tp10 . . . . . 0 N--CA 1.421 -1.891 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.1 p -137.32 124.0 28.86 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.251 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 176.498 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 22.2 pt -125.71 171.95 13.78 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.867 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 -178.292 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -136.53 77.28 1.64 Allowed 'General case' 0 C--N 1.284 -2.261 0 CA-C-O 121.683 0.754 . . . . 0.0 109.385 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 10.8 mp -107.71 171.39 7.42 Favored 'General case' 0 CA--C 1.475 -1.94 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.234 179.567 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 53.1 t -161.21 163.35 31.17 Favored 'General case' 0 C--N 1.286 -2.182 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.736 -175.619 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 54.85 -129.16 44.7 Favored Glycine 0 C--O 1.251 1.184 0 O-C-N 124.843 1.34 . . . . 0.0 113.068 179.406 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 75.3 mtm180 -67.67 -32.83 73.77 Favored 'General case' 0 C--N 1.299 -1.599 0 CA-C-N 114.539 -0.831 . . . . 0.0 111.634 -178.091 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -68.5 -34.03 75.18 Favored 'General case' 0 CA--C 1.488 -1.425 0 C-N-CA 120.374 -0.531 . . . . 0.0 110.339 -177.692 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.5 ' CD2' ' HA ' ' A' ' 7' ' ' ALA . 28.2 tp -66.8 -40.49 88.13 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-N 115.089 -0.959 . . . . 0.0 109.242 179.528 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 16' ' ' VAL . . . . . 0.427 ' O ' HG12 ' B' ' 20' ' ' ILE . 57.4 t -68.19 -40.45 82.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.333 176.821 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 75.9 mtp180 -57.76 -46.62 84.28 Favored 'General case' 0 CA--C 1.514 -0.442 0 C-N-CA 122.731 0.412 . . . . 0.0 110.781 176.738 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' ALA . . . . . 0.575 ' O ' HG12 ' B' ' 22' ' ' ILE . . . -61.96 -45.85 91.87 Favored 'General case' 0 C--N 1.315 -0.91 0 O-C-N 123.878 0.736 . . . . 0.0 110.037 177.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 19' ' ' GLN . . . . . 0.559 ' HG2' ' HB3' ' A' ' 20' ' ' LEU . 82.1 mt-30 -55.62 -53.51 55.59 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 123.269 0.628 . . . . 0.0 111.476 177.02 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 20' ' ' ILE . . . . . 0.427 HG12 ' O ' ' B' ' 16' ' ' VAL . 48.6 mm -58.93 -37.29 66.35 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.769 177.575 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.25 -40.19 96.74 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.425 178.358 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.575 HG12 ' O ' ' B' ' 18' ' ' ALA . 45.2 mm . . . . . 0 C--O 1.216 -0.686 0 O-C-N 123.779 0.674 . . . . 0.0 109.538 177.188 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.268 0 CA-C-O 120.866 0.365 . . . . 0.0 110.255 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 44.7 tp -63.67 -43.35 96.95 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.152 178.144 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.5 ' HA ' ' CD2' ' B' ' 15' ' ' LEU . . . -56.76 -46.84 81.19 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.18 -179.552 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -70.58 -44.79 66.63 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.852 179.206 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 58.2 tttp -60.12 -48.13 82.99 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.654 -0.248 . . . . 0.0 111.549 -177.556 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.506 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 6.3 t -70.1 -30.0 67.1 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-O 120.846 0.355 . . . . 0.0 110.252 -177.485 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 22.7 t -72.97 -39.66 65.94 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.909 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 52.9 m80 -81.26 -55.55 4.65 Favored 'General case' 0 CA--C 1.512 -0.495 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -178.065 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 19.1 m -112.04 -51.58 5.79 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.483 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 -177.563 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.506 ' C ' ' HA ' ' A' ' 10' ' ' CYS . . . 149.15 170.54 16.9 Favored Glycine 0 C--N 1.296 -1.694 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.7 p -139.59 158.77 43.57 Favored 'General case' 0 C--N 1.292 -1.898 0 CA-C-O 120.927 0.394 . . . . 0.0 110.585 -178.438 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.561 ' O ' HD12 ' A' ' 20' ' ' LEU . 8.8 p -93.29 144.73 25.03 Favored 'General case' 0 N--CA 1.404 -2.746 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.348 178.45 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.546 ' HB2' ' HB3' ' B' ' 6' ' ' GLU . 37.3 tptt -61.63 -35.8 78.96 Favored 'General case' 0 C--N 1.299 -1.594 0 C-N-CA 124.065 0.946 . . . . 0.0 109.534 -175.831 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 71.8 mtm180 -65.21 -27.7 68.87 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-O 121.018 0.437 . . . . 0.0 109.976 174.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.456 ' O ' ' HG2' ' A' ' 22' ' ' ARG . 16.1 t -76.81 -40.39 48.2 Favored 'General case' 0 N--CA 1.414 -2.24 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.003 -176.729 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.561 HD12 ' O ' ' A' ' 16' ' ' THR . 0.7 OUTLIER -69.49 -29.89 67.63 Favored 'General case' 0 CA--C 1.506 -0.725 0 C-N-CA 118.151 -1.42 . . . . 0.0 108.349 175.62 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.489 ' HA ' HG21 ' B' ' 22' ' ' ILE . . . -68.14 -36.16 79.24 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 115.135 -0.939 . . . . 0.0 112.448 178.818 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.456 ' HG2' ' O ' ' A' ' 19' ' ' SER . 20.6 ptt180 . . . . . 0 C--N 1.321 -0.646 0 CA-C-O 121.06 0.457 . . . . 0.0 111.048 -177.702 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 6' ' ' GLU . . . . . 0.546 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 31.2 tt0 . . . . . 0 N--CA 1.42 -1.937 0 N-CA-C 107.199 -1.408 . . . . 0.0 107.199 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 6.7 p -140.2 128.66 25.83 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.366 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 177.776 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.476 ' H ' HD13 ' B' ' 8' ' ' ILE . 0.2 OUTLIER -131.4 165.05 32.7 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 -177.722 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -126.84 90.46 3.16 Favored 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 176.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 10.9 mp -119.95 175.36 5.94 Favored 'General case' 0 CA--C 1.485 -1.554 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.211 -178.71 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 56.7 m -152.47 163.19 40.04 Favored 'General case' 0 C--N 1.297 -1.709 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 -177.282 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 45.47 -122.1 5.28 Favored Glycine 0 CA--C 1.498 -0.972 0 O-C-N 124.635 1.21 . . . . 0.0 115.673 172.502 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' ARG . . . . . 0.497 ' O ' ' HG2' ' B' ' 17' ' ' ARG . 55.7 ttp180 -62.82 -39.09 93.23 Favored 'General case' 0 C--N 1.304 -1.407 0 CA-C-N 114.155 -1.022 . . . . 0.0 110.75 -178.266 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -69.77 -31.66 69.73 Favored 'General case' 0 CA--C 1.499 -0.992 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 -175.467 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.557 ' O ' ' HG3' ' B' ' 19' ' ' GLN . 12.9 tp -68.15 -42.11 80.58 Favored 'General case' 0 N--CA 1.436 -1.152 0 CA-C-N 114.866 -1.061 . . . . 0.0 108.798 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 98.8 t -70.87 -36.56 64.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.535 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' ARG . . . . . 0.497 ' HG2' ' O ' ' B' ' 13' ' ' ARG . 12.1 mmt85 -59.66 -42.92 93.91 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.57 175.662 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 18' ' ' ALA . . . . . 0.472 ' O ' HG13 ' B' ' 22' ' ' ILE . . . -64.36 -44.84 90.17 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.571 177.602 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 19' ' ' GLN . . . . . 0.557 ' HG3' ' O ' ' B' ' 15' ' ' LEU . 94.4 mt-30 -54.67 -59.6 4.49 Favored 'General case' 0 C--O 1.22 -0.468 0 C-N-CA 124.215 1.006 . . . . 0.0 111.207 177.377 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 80.5 mt -53.79 -36.55 30.11 Favored 'Isoleucine or valine' 0 C--O 1.249 1.061 0 C-N-CA 124.024 0.929 . . . . 0.0 111.273 178.361 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.68 -26.9 65.53 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.451 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.472 HG13 ' O ' ' B' ' 18' ' ' ALA . 75.5 mt . . . . . 0 C--N 1.31 -1.113 0 CA-C-O 121.278 0.561 . . . . 0.0 109.696 177.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.209 -1.053 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 59.1 tp -56.93 -42.61 80.33 Favored 'General case' 0 C--N 1.33 -0.271 0 O-C-N 123.577 0.548 . . . . 0.0 110.41 178.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.462 ' HA ' ' CD2' ' B' ' 15' ' ' LEU . . . -57.98 -53.76 54.62 Favored 'General case' 0 C--O 1.246 0.904 0 CA-C-O 120.937 0.398 . . . . 0.0 111.007 179.405 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 40.7 m-80 -66.31 -55.93 13.65 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.677 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -54.55 -44.74 73.14 Favored 'General case' 0 C--N 1.311 -1.068 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 -175.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.482 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 9.9 t -73.08 -27.03 61.49 Favored 'General case' 0 C--N 1.307 -1.271 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 -178.644 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 8.7 t -75.83 -34.71 60.12 Favored 'General case' 0 N--CA 1.441 -0.909 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.524 178.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 66.3 m80 -86.47 -58.39 2.64 Favored 'General case' 0 CA--C 1.499 -1.01 0 CA-C-O 121.713 0.768 . . . . 0.0 111.081 -179.287 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -104.97 -39.38 5.24 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.0 0 CA-C-N 114.797 -1.092 . . . . 0.0 111.85 -171.089 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.482 ' C ' ' HA ' ' A' ' 10' ' ' CYS . . . 122.73 170.41 13.57 Favored Glycine 0 N--CA 1.435 -1.389 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.428 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.441 ' SG ' HD11 ' A' ' 20' ' ' LEU . 26.1 p -144.46 158.9 43.53 Favored 'General case' 0 C--N 1.291 -1.964 0 CA-C-O 120.923 0.392 . . . . 0.0 110.435 -178.702 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.548 ' O ' HD12 ' A' ' 20' ' ' LEU . 17.3 p -86.68 144.53 27.08 Favored 'General case' 0 N--CA 1.401 -2.91 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.624 178.008 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.546 ' HB2' ' HB3' ' B' ' 6' ' ' GLU . 9.5 tptm -62.7 -34.39 77.06 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 -179.294 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.4 mmm180 -58.29 -31.57 67.61 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.44 172.312 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.412 ' HB3' ' O ' ' A' ' 16' ' ' THR . 47.4 t -73.6 -47.5 39.83 Favored 'General case' 0 N--CA 1.431 -1.423 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 -177.618 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.567 ' H ' HD12 ' A' ' 20' ' ' LEU . 0.8 OUTLIER -68.77 -27.01 65.51 Favored 'General case' 0 CA--C 1.507 -0.695 0 C-N-CA 119.014 -1.075 . . . . 0.0 109.257 179.749 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.404 ' HB2' HG21 ' B' ' 22' ' ' ILE . . . -68.15 -40.15 82.47 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.814 176.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 27.4 tpt180 . . . . . 0 C--N 1.315 -0.922 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.738 -178.315 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 6' ' ' GLU . . . . . 0.549 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 23.4 tt0 . . . . . 0 N--CA 1.413 -2.285 0 N-CA-C 106.826 -1.546 . . . . 0.0 106.826 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 4.9 p -143.14 122.76 8.97 Favored 'Isoleucine or valine' 0 C--N 1.256 -3.494 0 CA-C-N 114.999 -1.0 . . . . 0.0 109.204 -179.551 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.526 ' HB ' HD13 ' B' ' 10' ' ' LEU . 0.2 OUTLIER -126.22 158.32 35.98 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.681 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.979 -176.208 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -116.26 75.24 0.94 Allowed 'General case' 0 N--CA 1.438 -1.037 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 178.366 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.526 HD13 ' HB ' ' B' ' 8' ' ' ILE . 9.8 mp -111.43 175.87 5.25 Favored 'General case' 0 CA--C 1.475 -1.934 0 CA-C-N 114.935 -1.03 . . . . 0.0 109.414 -179.475 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 45.7 t -156.39 164.17 38.6 Favored 'General case' 0 C--N 1.276 -2.627 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 -176.603 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 46.53 -123.52 7.3 Favored Glycine 0 C--N 1.303 -1.264 0 O-C-N 124.775 1.297 . . . . 0.0 115.592 178.089 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -67.41 -24.18 65.63 Favored 'General case' 0 C--N 1.306 -1.291 0 CA-C-N 114.05 -1.075 . . . . 0.0 111.433 -177.698 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' GLU . . . . . 0.4 ' HB3' HD23 ' B' ' 10' ' ' LEU . 36.9 mt-10 -72.04 -32.48 67.16 Favored 'General case' 0 N--CA 1.432 -1.343 0 C-N-CA 120.449 -0.5 . . . . 0.0 110.368 177.746 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 79.2 mt -63.21 -41.28 99.13 Favored 'General case' 0 CA--C 1.491 -1.291 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 173.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 43.0 t -62.04 -41.81 92.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 O-C-N 123.701 0.626 . . . . 0.0 109.689 178.777 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -57.37 -53.35 59.1 Favored 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 177.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.53 -38.72 85.33 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 114.162 -1.381 . . . . 0.0 111.853 179.458 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' GLN . . . . . 0.515 ' O ' HG22 ' B' ' 22' ' ' ILE . 87.4 mt-30 -63.92 -51.18 65.66 Favored 'General case' 0 C--N 1.315 -0.91 0 C-N-CA 123.608 0.763 . . . . 0.0 110.936 176.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 77.2 mt -60.67 -28.15 42.19 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.211 0 CA-C-O 121.491 0.662 . . . . 0.0 109.796 175.766 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.11 -21.67 53.9 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.534 177.749 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.515 HG22 ' O ' ' B' ' 19' ' ' GLN . 0.1 OUTLIER . . . . . 0 N--CA 1.438 -1.031 0 C-N-CA 120.22 -0.592 . . . . 0.0 109.42 176.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.47 0 N-CA-C 110.723 -0.102 . . . . 0.0 110.723 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.466 HD21 ' HA ' ' A' ' 20' ' ' LEU . 32.7 tp -61.46 -51.04 70.35 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 176.763 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.5 -45.75 69.8 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 114.906 -1.043 . . . . 0.0 111.673 -177.301 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -70.15 -39.6 75.27 Favored 'General case' 0 C--O 1.207 -1.147 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.141 178.662 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 26.2 tptp -61.99 -50.75 70.84 Favored 'General case' 0 C--N 1.311 -1.094 0 C-N-CA 122.722 0.409 . . . . 0.0 110.644 -176.53 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.403 ' HA ' ' CA ' ' A' ' 14' ' ' GLY . 29.6 m -65.62 -37.19 85.88 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-O 120.955 0.407 . . . . 0.0 110.147 -179.697 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 34.7 t -69.56 -40.45 76.79 Favored 'General case' 0 C--O 1.247 0.967 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.207 -177.346 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 25.9 m170 -79.95 -54.05 6.17 Favored 'General case' 0 CA--C 1.499 -0.981 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.569 -176.269 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 18.2 m -117.99 -49.48 4.02 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.775 0 N-CA-C 112.605 0.594 . . . . 0.0 112.605 -177.39 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.403 ' CA ' ' HA ' ' A' ' 10' ' ' CYS . . . 140.63 173.2 13.31 Favored Glycine 0 C--N 1.291 -1.926 0 N-CA-C 110.753 -0.939 . . . . 0.0 110.753 178.798 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.0 p -153.99 161.61 41.83 Favored 'General case' 0 C--N 1.293 -1.869 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 178.803 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.529 ' O ' HD12 ' A' ' 20' ' ' LEU . 22.7 p -81.18 153.53 27.16 Favored 'General case' 0 N--CA 1.408 -2.557 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.563 179.552 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.549 ' HB2' ' HB3' ' B' ' 6' ' ' GLU . 16.1 tptm -61.99 -31.37 71.73 Favored 'General case' 0 C--N 1.283 -2.316 0 C-N-CA 123.668 0.787 . . . . 0.0 110.367 -176.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 25.4 mmm180 -74.82 -21.06 59.5 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.254 175.007 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.8 t -74.34 -38.8 63.15 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 178.693 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.529 HD12 ' O ' ' A' ' 16' ' ' THR . 2.7 mp -71.75 -34.37 69.44 Favored 'General case' 0 CA--C 1.497 -1.062 0 C-N-CA 118.729 -1.188 . . . . 0.0 108.424 174.14 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.99 -34.98 70.58 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.334 -0.848 . . . . 0.0 113.06 179.532 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 . . . . . 0 C--N 1.323 -0.554 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 -177.607 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 6' ' ' GLU . . . . . 0.509 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 20.8 mm-40 . . . . . 0 N--CA 1.435 -1.185 0 CA-C-O 121.633 0.73 . . . . 0.0 111.853 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.4 p -140.77 129.61 24.98 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.635 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 174.623 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.428 ' HB ' HD13 ' B' ' 10' ' ' LEU . 22.4 pt -131.76 164.25 35.1 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 CA-C-O 121.171 0.51 . . . . 0.0 110.498 -176.367 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -136.82 91.59 2.65 Favored 'General case' 0 C--N 1.292 -1.901 0 CA-C-N 114.795 -1.093 . . . . 0.0 108.191 176.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.445 HD23 ' HB3' ' B' ' 14' ' ' GLU . 9.2 mp -125.89 175.6 7.56 Favored 'General case' 0 CA--C 1.485 -1.533 0 CA-C-N 114.359 -1.292 . . . . 0.0 108.95 -176.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 11' ' ' CYS . . . . . 0.444 ' O ' ' HB2' ' B' ' 14' ' ' GLU . 39.3 m -148.48 164.12 35.13 Favored 'General case' 0 C--N 1.293 -1.867 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 -178.61 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 49.95 -127.99 25.1 Favored Glycine 0 C--O 1.239 0.42 0 N-CA-C 115.047 0.779 . . . . 0.0 115.047 174.138 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 26.0 mmt180 -63.83 -23.94 67.55 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.139 -0.53 . . . . 0.0 111.738 -179.605 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' GLU . . . . . 0.445 ' HB3' HD23 ' B' ' 10' ' ' LEU . 23.4 mm-40 -69.58 -35.58 75.49 Favored 'General case' 0 N--CA 1.436 -1.149 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 -179.385 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.408 HD13 ' HA ' ' A' ' 7' ' ' ALA . 88.9 mt -67.07 -42.19 85.12 Favored 'General case' 0 C--O 1.211 -0.946 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.818 175.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 16' ' ' VAL . . . . . 0.475 ' O ' HG12 ' B' ' 20' ' ' ILE . 47.0 t -65.73 -42.19 91.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 123.809 0.693 . . . . 0.0 110.234 -178.031 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 17' ' ' ARG . . . . . 0.467 ' HA ' ' CZ ' ' B' ' 17' ' ' ARG . 0.2 OUTLIER -57.03 -52.47 65.14 Favored 'General case' 0 C--O 1.243 0.762 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 178.616 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.79 -45.43 92.34 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 113.951 -1.477 . . . . 0.0 110.938 178.78 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' GLN . . . . . 0.486 ' HG2' ' HB3' ' A' ' 20' ' ' LEU . 74.3 mt-30 -57.78 -51.81 68.06 Favored 'General case' 0 C--N 1.318 -0.776 0 C-N-CA 124.033 0.933 . . . . 0.0 112.549 178.432 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 20' ' ' ILE . . . . . 0.475 HG12 ' O ' ' B' ' 16' ' ' VAL . 48.1 mm -58.35 -46.56 89.14 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.349 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.048 178.862 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.21 -43.14 95.94 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.187 0.517 . . . . 0.0 110.722 -179.326 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.618 HD12 ' HB2' ' A' ' 21' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--N 1.314 -0.974 0 CA-C-O 121.773 0.797 . . . . 0.0 110.021 -178.428 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.242 0.665 0 CA-C-O 120.823 0.344 . . . . 0.0 110.215 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.483 HD21 ' HA ' ' A' ' 20' ' ' LEU . 35.8 tp -63.53 -44.87 92.97 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.623 176.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.408 ' HA ' HD13 ' B' ' 15' ' ' LEU . . . -54.13 -48.69 70.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.511 -178.749 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -64.85 -40.66 95.51 Favored 'General case' 0 C--O 1.204 -1.337 0 C-N-CA 120.843 -0.343 . . . . 0.0 111.185 177.704 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.5 tmtm? -61.72 -48.78 79.19 Favored 'General case' 0 C--N 1.307 -1.277 0 C-N-CA 123.005 0.522 . . . . 0.0 110.689 -178.48 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 34.9 m -71.89 -26.54 62.37 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 122.456 -0.153 . . . . 0.0 111.063 -179.464 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 45.0 t -79.51 -39.47 31.93 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-O 120.771 0.32 . . . . 0.0 110.473 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -77.24 -53.3 7.89 Favored 'General case' 0 CA--C 1.497 -1.089 0 CA-C-O 120.929 0.395 . . . . 0.0 111.622 -176.183 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.7 m -117.18 -46.16 3.74 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 CA-C-N 115.39 -0.823 . . . . 0.0 112.492 -177.033 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 125.35 163.54 11.63 Favored Glycine 0 C--N 1.292 -1.885 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 178.723 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.8 p -147.12 164.13 34.07 Favored 'General case' 0 C--N 1.294 -1.845 0 N-CA-C 110.043 -0.355 . . . . 0.0 110.043 -177.463 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.503 ' O ' HD12 ' A' ' 20' ' ' LEU . 8.1 p -74.5 153.02 39.29 Favored 'General case' 0 N--CA 1.396 -3.16 0 CA-C-N 115.619 -0.718 . . . . 0.0 109.689 176.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.611 ' HG3' ' CG1' ' B' ' 22' ' ' ILE . 18.4 tptm -67.37 -29.37 68.89 Favored 'General case' 0 C--N 1.281 -2.405 0 N-CA-C 108.069 -1.086 . . . . 0.0 108.069 -178.335 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -65.61 -26.67 67.93 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.705 172.214 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 31.8 t -73.9 -39.66 63.71 Favored 'General case' 0 N--CA 1.43 -1.451 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 -179.533 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.503 HD12 ' O ' ' A' ' 16' ' ' THR . 1.6 mp -73.78 -29.3 62.12 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 118.985 -1.086 . . . . 0.0 108.921 175.477 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.618 ' HB2' HD12 ' B' ' 22' ' ' ILE . . . -59.97 -34.46 73.32 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 115.229 -0.896 . . . . 0.0 112.675 178.493 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.8 ptt180 . . . . . 0 CA--C 1.542 0.638 0 CA-C-O 121.094 0.473 . . . . 0.0 112.23 -179.367 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 6' ' ' GLU . . . . . 0.661 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 15.8 mm-40 . . . . . 0 N--CA 1.437 -1.078 0 CA-C-O 120.621 0.248 . . . . 0.0 110.845 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 7' ' ' VAL . . . . . 0.458 ' HA ' ' O ' ' A' ' 15' ' ' CYS . 5.5 p -150.89 108.43 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.293 -1.884 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 175.545 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 34.4 pt -133.94 173.17 15.08 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.692 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 -176.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -115.65 139.58 49.99 Favored 'General case' 0 C--N 1.291 -1.948 0 O-C-N 123.809 0.693 . . . . 0.0 109.14 175.435 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.756 ' HG ' HD23 ' B' ' 15' ' ' LEU . 0.3 OUTLIER -155.09 166.0 34.95 Favored 'General case' 0 C--N 1.291 -1.946 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 -179.44 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 11' ' ' CYS . . . . . 0.482 ' CA ' ' HG ' ' B' ' 15' ' ' LEU . 57.5 m -156.1 158.68 38.15 Favored 'General case' 0 C--N 1.284 -2.27 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 -172.879 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 47.21 -121.64 6.47 Favored Glycine 0 C--O 1.257 1.585 0 O-C-N 124.486 1.116 . . . . 0.0 115.632 176.167 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 13' ' ' ARG . . . . . 0.597 ' O ' ' HD3' ' B' ' 17' ' ' ARG . 95.6 mtt180 -63.01 -38.32 90.71 Favored 'General case' 0 C--N 1.308 -1.225 0 CA-C-N 113.679 -1.26 . . . . 0.0 109.262 -178.715 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 14' ' ' GLU . . . . . 0.462 ' O ' HD12 ' B' ' 10' ' ' LEU . 47.7 mt-10 -61.86 -37.43 84.51 Favored 'General case' 0 C--O 1.245 0.854 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.191 179.577 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.756 HD23 ' HG ' ' B' ' 10' ' ' LEU . 26.4 mt -61.06 -42.69 98.97 Favored 'General case' 0 C--N 1.36 1.037 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 95.5 t -68.01 -43.72 85.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 114.252 -1.34 . . . . 0.0 110.621 -177.788 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 17' ' ' ARG . . . . . 0.597 ' HD3' ' O ' ' B' ' 13' ' ' ARG . 6.8 mpt_? -53.92 -45.21 71.13 Favored 'General case' 0 C--N 1.32 -0.704 0 O-C-N 123.704 0.628 . . . . 0.0 112.114 179.734 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 18' ' ' ALA . . . . . 0.587 ' O ' HG13 ' B' ' 22' ' ' ILE . . . -74.93 -46.29 36.76 Favored 'General case' 0 C--N 1.307 -1.278 0 C-N-CA 120.382 -0.527 . . . . 0.0 110.577 179.077 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 19' ' ' GLN . . . . . 0.563 ' HG2' ' HB3' ' A' ' 20' ' ' LEU . 70.0 mt-30 -54.67 -54.56 40.09 Favored 'General case' 0 CA--C 1.517 -0.307 0 O-C-N 123.386 0.429 . . . . 0.0 111.994 -179.059 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 46.3 mm -63.43 -36.17 75.2 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.1 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.128 -179.493 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.54 -48.6 78.8 Favored 'General case' 0 C--O 1.22 -0.475 0 CA-C-N 116.773 -0.194 . . . . 0.0 110.754 178.126 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.587 HG13 ' O ' ' B' ' 18' ' ' ALA . 25.0 mt . . . . . 0 N--CA 1.474 0.753 0 CA-C-O 121.787 0.803 . . . . 0.0 109.761 -179.242 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.466 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.512 HD21 ' HA ' ' A' ' 20' ' ' LEU . 67.0 tp -58.48 -46.4 86.71 Favored 'General case' 0 CA--C 1.517 -0.295 0 O-C-N 123.716 0.635 . . . . 0.0 110.055 178.28 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.73 -51.88 61.92 Favored 'General case' 0 C--N 1.328 -0.362 0 O-C-N 123.728 0.643 . . . . 0.0 111.42 179.686 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -67.13 -48.43 68.11 Favored 'General case' 0 CA--C 1.51 -0.574 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -61.15 -44.69 96.93 Favored 'General case' 0 C--N 1.312 -1.044 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 -178.119 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.432 ' HA ' ' CA ' ' A' ' 14' ' ' GLY . 4.5 t -77.65 -16.69 58.37 Favored 'General case' 0 C--N 1.295 -1.791 0 CA-C-O 121.295 0.569 . . . . 0.0 110.124 -176.805 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.437 ' HA ' ' O ' ' B' ' 10' ' ' LEU . 42.0 t -81.15 -34.67 32.28 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-O 121.497 0.665 . . . . 0.0 110.013 176.305 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -89.23 -62.58 1.45 Allowed 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.914 -179.081 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 29.2 m -96.95 -51.77 10.08 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 CA-C-O 121.339 0.59 . . . . 0.0 111.338 -177.217 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.432 ' CA ' ' HA ' ' A' ' 10' ' ' CYS . . . 133.13 178.22 15.42 Favored Glycine 0 C--N 1.289 -2.06 0 N-CA-C 110.226 -1.15 . . . . 0.0 110.226 178.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.458 ' O ' ' HA ' ' B' ' 7' ' ' VAL . 29.9 p -159.3 165.82 32.6 Favored 'General case' 0 C--N 1.288 -2.102 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 -176.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.526 ' HA ' ' O ' ' B' ' 6' ' ' GLU . 40.4 p -72.21 145.17 48.18 Favored 'General case' 0 N--CA 1.397 -3.098 0 CA-C-O 122.064 0.935 . . . . 0.0 110.115 177.108 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.661 ' HB2' ' HB3' ' B' ' 6' ' ' GLU . 13.7 tptm -65.24 -30.64 71.55 Favored 'General case' 0 C--N 1.268 -2.965 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 39.1 mtm105 -71.58 -21.01 61.93 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.145 175.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.505 ' HB3' ' OG1' ' A' ' 16' ' ' THR . 23.2 p -74.81 -42.93 57.13 Favored 'General case' 0 N--CA 1.435 -1.194 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 179.513 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.563 ' HB3' ' HG2' ' B' ' 19' ' ' GLN . 11.0 mt -63.31 -40.67 97.98 Favored 'General case' 0 CA--C 1.491 -1.29 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 176.246 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.513 ' HB2' HG21 ' B' ' 22' ' ' ILE . . . -55.32 -37.66 67.68 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-N 114.073 -1.421 . . . . 0.0 112.59 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 . . . . . 0 C--O 1.239 0.522 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 -177.524 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 6' ' ' GLU . . . . . 0.49 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 32.6 mt-10 . . . . . 0 N--CA 1.438 -1.028 0 N-CA-C 114.861 1.43 . . . . 0.0 114.861 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 7' ' ' VAL . . . . . 0.468 ' HA ' ' HA ' ' A' ' 16' ' ' THR . 3.4 p -133.81 107.93 11.01 Favored 'Isoleucine or valine' 0 C--N 1.271 -2.83 0 CA-C-N 112.715 -2.039 . . . . 0.0 105.945 172.82 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . 0.269 1.5 pp -119.52 171.93 7.2 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.977 0 N-CA-C 115.012 1.486 . . . . 0.0 115.012 -170.707 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 24.3 tptm -124.64 122.35 37.28 Favored 'General case' 0 C--N 1.293 -1.868 0 CA-C-N 113.926 -1.488 . . . . 0.0 107.993 -173.229 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.742 ' HG ' HD23 ' B' ' 15' ' ' LEU . 0.1 OUTLIER -167.44 169.9 11.82 Favored 'General case' 0 C--N 1.301 -1.535 0 C-N-CA 122.978 0.511 . . . . 0.0 109.757 -175.521 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 11' ' ' CYS . . . . . 0.411 ' CA ' ' HG ' ' B' ' 15' ' ' LEU . 62.7 m -157.45 163.0 38.96 Favored 'General case' 0 C--N 1.292 -1.932 0 N-CA-C 107.081 -1.452 . . . . 0.0 107.081 -178.309 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 46.53 -124.44 7.98 Favored Glycine 0 C--O 1.246 0.904 0 N-CA-C 115.821 1.088 . . . . 0.0 115.821 175.45 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 22.4 mtp180 -66.11 -29.87 70.27 Favored 'General case' 0 C--N 1.298 -1.639 0 CA-C-N 113.884 -1.158 . . . . 0.0 111.301 -177.559 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 14' ' ' GLU . . . . . 0.449 ' O ' HD12 ' B' ' 10' ' ' LEU . 9.3 mm-40 -66.01 -34.95 79.26 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.093 176.818 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.742 HD23 ' HG ' ' B' ' 10' ' ' LEU . 22.0 mt -63.4 -42.57 98.79 Favored 'General case' 0 C--N 1.35 0.593 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 178.433 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 44.1 t -66.82 -40.08 85.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 114.429 -1.26 . . . . 0.0 110.237 -177.752 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 17' ' ' ARG . . . . . 0.438 ' HD2' ' OE1' ' B' ' 14' ' ' GLU . 90.7 mtt180 -56.2 -46.1 79.58 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.813 -0.63 . . . . 0.0 112.506 177.219 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 18' ' ' ALA . . . . . 0.653 ' O ' HG13 ' B' ' 22' ' ' ILE . . . -68.89 -42.92 76.29 Favored 'General case' 0 C--N 1.305 -1.34 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.339 178.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 19' ' ' GLN . . . . . 0.566 ' HG2' ' HB3' ' A' ' 20' ' ' LEU . 93.0 mt-30 -52.28 -55.86 18.54 Favored 'General case' 0 C--O 1.241 0.614 0 C-N-CA 123.627 0.771 . . . . 0.0 111.243 178.226 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 80.7 mt -57.79 -42.18 81.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.875 178.418 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.89 -19.29 65.7 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.026 -0.534 . . . . 0.0 112.404 -179.014 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.653 HG13 ' O ' ' B' ' 18' ' ' ALA . 66.8 mt . . . . . 0 C--O 1.206 -1.19 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 178.331 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.82 0 CA-C-O 119.246 -0.407 . . . . 0.0 111.733 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.609 HD12 ' SG ' ' A' ' 15' ' ' CYS . 55.0 tp -48.68 -56.67 7.88 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 124.093 0.957 . . . . 0.0 112.282 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.56 -45.11 81.42 Favored 'General case' 0 CA--C 1.512 -0.486 0 O-C-N 123.631 0.582 . . . . 0.0 111.02 -177.362 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -72.23 -36.14 69.04 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.233 -178.313 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 57.5 tttp -67.81 -52.85 32.27 Favored 'General case' 0 C--N 1.307 -1.26 0 C-N-CA 122.928 0.491 . . . . 0.0 109.873 -176.616 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.604 ' HB3' HD23 ' B' ' 10' ' ' LEU . 27.7 m -68.04 -21.06 65.03 Favored 'General case' 0 C--N 1.306 -1.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.652 178.661 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 13.3 t -81.45 -34.75 31.25 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-O 120.921 0.391 . . . . 0.0 110.425 179.671 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 61.6 m80 -89.83 -56.5 3.21 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -178.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 17.7 m -108.74 -48.25 7.4 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.611 0 N-CA-C 112.678 0.621 . . . . 0.0 112.678 -176.024 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.494 ' HA2' ' HA ' ' A' ' 10' ' ' CYS . . . 125.87 149.79 7.51 Favored Glycine 0 C--N 1.286 -2.231 0 N-CA-C 109.18 -1.568 . . . . 0.0 109.18 -178.247 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.609 ' SG ' HD12 ' A' ' 6' ' ' LEU 0.271 9.0 p -151.3 164.96 35.47 Favored 'General case' 0 C--N 1.293 -1.886 0 CA-C-N 117.322 0.561 . . . . 0.0 112.409 -177.842 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.468 ' HA ' ' HA ' ' B' ' 7' ' ' VAL . 35.4 p -62.69 144.58 56.19 Favored 'General case' 0 N--CA 1.418 -2.071 0 N-CA-C 115.071 1.508 . . . . 0.0 115.071 -172.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.49 ' HB2' ' HB3' ' B' ' 6' ' ' GLU . 20.4 tptm -63.57 -31.32 72.45 Favored 'General case' 0 C--N 1.292 -1.912 0 CA-C-N 113.266 -1.788 . . . . 0.0 107.43 177.331 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.1 mmm180 -66.0 -27.23 67.97 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.647 175.378 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 32.0 t -74.47 -33.59 62.92 Favored 'General case' 0 N--CA 1.425 -1.678 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 -179.321 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.566 ' HB3' ' HG2' ' B' ' 19' ' ' GLN . 2.3 mp -81.21 -30.36 34.28 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 119.66 -0.816 . . . . 0.0 109.486 173.138 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.405 ' HB2' HG21 ' B' ' 22' ' ' ILE . . . -56.02 -40.03 72.8 Favored 'General case' 0 N--CA 1.483 1.205 0 CA-C-N 115.243 -0.89 . . . . 0.0 112.279 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.0 ptp180 . . . . . 0 C--N 1.316 -0.888 0 CA-C-N 115.946 -0.57 . . . . 0.0 112.122 -178.658 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 6' ' ' GLU . . . . . 0.65 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 32.2 tt0 . . . . . 0 N--CA 1.417 -2.11 0 N-CA-C 103.913 -2.625 . . . . 0.0 103.913 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 4.4 p -150.91 121.32 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.275 -2.667 0 O-C-N 123.743 0.652 . . . . 0.0 109.752 -178.69 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 27.7 pt -138.14 172.62 13.87 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.344 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.531 -178.691 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -118.29 137.75 52.85 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 179.068 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.78 ' HG ' HD23 ' B' ' 15' ' ' LEU . 0.2 OUTLIER -164.2 168.47 18.86 Favored 'General case' 0 C--N 1.306 -1.3 0 C-N-CA 123.683 0.793 . . . . 0.0 109.148 -174.685 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 11' ' ' CYS . . . . . 0.485 ' CA ' ' HG ' ' B' ' 15' ' ' LEU . 60.2 m -158.81 162.14 37.0 Favored 'General case' 0 C--N 1.296 -1.756 0 N-CA-C 107.516 -1.29 . . . . 0.0 107.516 -175.199 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 48.1 -130.16 18.59 Favored Glycine 0 N--CA 1.469 0.87 0 N-CA-C 114.747 0.659 . . . . 0.0 114.747 175.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 13' ' ' ARG . . . . . 0.538 ' O ' ' HG3' ' B' ' 17' ' ' ARG . 24.3 tpt180 -63.85 -28.34 69.78 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 115.077 -0.562 . . . . 0.0 111.005 179.463 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 14' ' ' GLU . . . . . 0.479 ' O ' HD12 ' B' ' 10' ' ' LEU . 59.6 mm-40 -63.0 -37.24 86.37 Favored 'General case' 0 CA--C 1.512 -0.481 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 176.383 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.78 HD23 ' HG ' ' B' ' 10' ' ' LEU . 27.3 mt -62.04 -42.59 99.34 Favored 'General case' 0 C--N 1.349 0.584 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 178.493 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 31.4 t -70.24 -28.79 36.9 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.911 0 CA-C-N 113.883 -1.508 . . . . 0.0 110.252 -177.186 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 17' ' ' ARG . . . . . 0.538 ' HG3' ' O ' ' B' ' 13' ' ' ARG . 76.5 mtp180 -62.77 -49.14 76.17 Favored 'General case' 0 N--CA 1.438 -1.07 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.523 177.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 18' ' ' ALA . . . . . 0.464 ' O ' HG12 ' B' ' 22' ' ' ILE . . . -73.16 -39.46 65.63 Favored 'General case' 0 C--N 1.302 -1.464 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.917 179.099 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 19' ' ' GLN . . . . . 0.469 ' CG ' ' HB3' ' A' ' 20' ' ' LEU . 18.7 mt-30 -58.18 -60.68 3.38 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 122.955 0.502 . . . . 0.0 112.122 179.498 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 51.7 mt -63.7 -29.87 48.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.698 -0.228 . . . . 0.0 111.27 -179.448 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.45 -38.13 88.6 Favored 'General case' 0 C--O 1.204 -1.333 0 N-CA-C 109.811 -0.441 . . . . 0.0 109.811 176.391 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.464 HG12 ' O ' ' B' ' 18' ' ' ALA . 38.2 mm . . . . . 0 C--O 1.239 0.508 0 CA-C-O 121.481 0.658 . . . . 0.0 110.149 176.406 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.203 -1.383 0 CA-C-O 119.743 -0.17 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.49 HD11 ' O ' ' A' ' 19' ' ' SER . 7.2 tt -60.17 -53.45 57.55 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 -179.16 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.09 -43.69 78.3 Favored 'General case' 0 C--O 1.244 0.788 0 CA-C-O 121.381 0.61 . . . . 0.0 110.86 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -69.58 -40.97 76.41 Favored 'General case' 0 C--O 1.206 -1.204 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.082 -179.644 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -58.24 -47.78 82.46 Favored 'General case' 0 C--N 1.308 -1.197 0 C-N-CA 123.683 0.793 . . . . 0.0 110.225 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.448 ' HB3' HD23 ' B' ' 10' ' ' LEU . 24.0 m -65.61 -30.83 71.6 Favored 'General case' 0 C--N 1.311 -1.088 0 O-C-N 123.654 0.596 . . . . 0.0 110.409 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.9 t -81.91 -34.71 29.78 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-O 121.014 0.435 . . . . 0.0 110.969 -178.241 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 11.3 m170 -77.16 -52.98 8.34 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-O 120.98 0.419 . . . . 0.0 111.609 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 17.5 m -125.74 -48.07 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.538 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.162 -175.249 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 139.74 170.68 12.03 Favored Glycine 0 C--N 1.291 -1.94 0 N-CA-C 109.534 -1.427 . . . . 0.0 109.534 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.5 p -149.86 164.75 34.52 Favored 'General case' 0 C--N 1.292 -1.902 0 CA-C-N 117.249 0.525 . . . . 0.0 109.827 -177.473 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.484 ' O ' ' HB3' ' A' ' 19' ' ' SER . 63.2 p -80.66 149.62 29.73 Favored 'General case' 0 N--CA 1.406 -2.641 0 CA-C-O 121.23 0.538 . . . . 0.0 110.073 179.569 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.65 ' HB2' ' HB3' ' B' ' 6' ' ' GLU . 12.7 tptm -63.53 -29.32 70.6 Favored 'General case' 0 C--N 1.288 -2.105 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.275 -176.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.514 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 26.4 ptt180 -62.15 -36.37 81.62 Favored 'General case' 0 N--CA 1.487 1.4 0 CA-C-O 121.898 0.856 . . . . 0.0 110.661 173.754 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.49 ' O ' HD11 ' A' ' 6' ' ' LEU . 27.6 t -63.29 -54.18 41.2 Favored 'General case' 0 C--N 1.28 -2.432 0 CA-C-N 114.158 -1.383 . . . . 0.0 109.12 -179.132 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.563 ' H ' HD12 ' A' ' 20' ' ' LEU . 0.6 OUTLIER -70.11 -20.68 63.17 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 119.626 -0.83 . . . . 0.0 110.151 178.816 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.44 ' HA ' HG21 ' B' ' 22' ' ' ILE . . . -64.1 -35.07 79.57 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.452 0.644 . . . . 0.0 110.382 177.673 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.514 ' HG3' ' O ' ' A' ' 18' ' ' ARG . 95.4 mtt180 . . . . . 0 CA--C 1.502 -0.883 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.019 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 6' ' ' GLU . . . . . 0.542 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 35.8 mm-40 . . . . . 0 N--CA 1.425 -1.701 0 CA-C-O 121.756 0.789 . . . . 0.0 111.405 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 7' ' ' VAL . . . . . 0.506 ' HA ' ' HA ' ' A' ' 16' ' ' THR . 5.9 p -145.46 133.13 15.94 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.75 0 CA-C-N 114.041 -1.436 . . . . 0.0 107.852 178.548 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.431 ' HB ' HD13 ' B' ' 10' ' ' LEU . 0.2 OUTLIER -141.61 159.22 21.69 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.582 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 -179.189 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -123.82 79.22 1.69 Allowed 'General case' 0 C--N 1.287 -2.142 0 CA-C-O 122.163 0.982 . . . . 0.0 110.314 176.127 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.431 HD13 ' HB ' ' B' ' 8' ' ' ILE . 8.7 mp -107.0 174.16 6.01 Favored 'General case' 0 CA--C 1.483 -1.617 0 CA-C-N 114.29 -1.323 . . . . 0.0 109.721 179.677 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 48.6 t -153.98 160.27 41.99 Favored 'General case' 0 C--N 1.28 -2.434 0 C-N-CA 120.342 -0.543 . . . . 0.0 109.898 -174.635 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 50.94 -121.95 12.54 Favored Glycine 0 C--N 1.302 -1.312 0 O-C-N 124.925 1.391 . . . . 0.0 114.206 179.07 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 80.1 mtm180 -63.8 -39.96 95.49 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-N 114.336 -0.932 . . . . 0.0 111.229 -177.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -66.69 -34.11 77.14 Favored 'General case' 0 CA--C 1.498 -1.022 0 CA-C-O 121.943 0.877 . . . . 0.0 109.599 -176.264 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.487 ' CD2' ' HA ' ' A' ' 7' ' ' ALA . 20.2 tp -68.17 -39.86 82.43 Favored 'General case' 0 C--N 1.295 -1.799 0 CA-C-N 114.579 -1.192 . . . . 0.0 109.693 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 86.9 t -66.93 -37.98 80.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 175.462 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 48.4 mtp85 -59.68 -44.28 93.67 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.076 177.217 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.18 -34.99 79.7 Favored 'General case' 0 C--N 1.32 -0.704 0 O-C-N 123.813 0.696 . . . . 0.0 110.531 178.008 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 19' ' ' GLN . . . . . 0.459 ' O ' HG22 ' B' ' 22' ' ' ILE . 20.5 mt-30 -64.87 -52.14 58.17 Favored 'General case' 0 C--N 1.314 -0.967 0 C-N-CA 123.512 0.725 . . . . 0.0 110.851 176.049 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 70.2 mt -60.92 -33.85 57.26 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.244 0 CA-C-O 121.4 0.619 . . . . 0.0 109.597 175.719 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.69 -34.46 76.95 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.649 177.769 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.459 HG22 ' O ' ' B' ' 19' ' ' GLN . 0.2 OUTLIER . . . . . 0 C--O 1.205 -1.248 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 179.573 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.914 0 CA-C-O 119.801 -0.142 . . . . 0.0 111.325 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 49.3 tp -63.38 -51.88 64.01 Favored 'General case' 0 CA--C 1.519 -0.238 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 178.784 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.487 ' HA ' ' CD2' ' B' ' 15' ' ' LEU . . . -54.07 -49.24 69.48 Favored 'General case' 0 CA--C 1.507 -0.684 0 O-C-N 123.9 0.75 . . . . 0.0 110.883 -178.813 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -61.07 -42.3 98.23 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.997 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -66.89 -48.55 68.39 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.411 -174.372 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 12.2 m -70.71 -33.4 70.83 Favored 'General case' 0 C--N 1.296 -1.725 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 -179.054 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.5 t -68.61 -33.62 74.36 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 116.145 -0.479 . . . . 0.0 109.72 -178.3 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 73.4 m80 -95.16 -61.7 1.43 Allowed 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -179.207 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.8 m -100.13 -50.47 10.57 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.226 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -175.51 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 131.16 161.39 10.23 Favored Glycine 0 N--CA 1.427 -1.928 0 N-CA-C 110.544 -1.022 . . . . 0.0 110.544 -179.27 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.0 p -142.45 158.95 43.14 Favored 'General case' 0 C--N 1.281 -2.38 0 CA-C-O 121.116 0.484 . . . . 0.0 109.782 -179.319 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.583 ' O ' HD12 ' A' ' 20' ' ' LEU . 23.3 p -80.12 150.34 30.28 Favored 'General case' 0 N--CA 1.387 -3.588 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.399 178.817 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.542 ' HB2' ' HB3' ' B' ' 6' ' ' GLU . 2.7 tppp? -60.59 -33.24 72.44 Favored 'General case' 0 C--N 1.297 -1.697 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 179.302 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 40.1 mtm105 -62.68 -31.38 72.26 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 114.204 -1.362 . . . . 0.0 109.86 176.607 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 45.6 t -73.96 -46.17 45.64 Favored 'General case' 0 N--CA 1.428 -1.563 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.433 -179.517 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.583 HD12 ' O ' ' A' ' 16' ' ' THR . 1.4 mp -67.4 -30.01 69.67 Favored 'General case' 0 CA--C 1.489 -1.371 0 C-N-CA 118.995 -1.082 . . . . 0.0 108.688 178.128 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.65 -41.9 91.58 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 123.96 0.787 . . . . 0.0 112.147 178.628 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 24.5 ptt85 . . . . . 0 C--N 1.327 -0.396 0 C-N-CA 120.138 -0.625 . . . . 0.0 111.83 -178.544 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 6' ' ' GLU . . . . . 0.591 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 21.0 tt0 . . . . . 0 N--CA 1.419 -2.014 0 N-CA-C 104.131 -2.544 . . . . 0.0 104.131 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 4.2 p -141.83 128.77 20.09 Favored 'Isoleucine or valine' 0 C--N 1.262 -3.198 0 CA-C-O 121.729 0.776 . . . . 0.0 109.846 -176.115 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.482 ' HB ' HD13 ' B' ' 10' ' ' LEU . 27.8 pt -122.73 167.16 16.63 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.236 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.619 -178.066 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -135.52 76.65 1.63 Allowed 'General case' 0 C--N 1.278 -2.51 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 177.718 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.482 HD13 ' HB ' ' B' ' 8' ' ' ILE . 9.6 mp -115.33 175.67 5.41 Favored 'General case' 0 CA--C 1.481 -1.693 0 CA-C-N 114.165 -1.379 . . . . 0.0 109.384 -179.251 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 59.3 m -151.77 168.03 26.35 Favored 'General case' 0 C--N 1.284 -2.261 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 -175.786 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 43.68 -123.01 4.29 Favored Glycine 0 C--O 1.246 0.866 0 O-C-N 124.877 1.36 . . . . 0.0 116.214 171.807 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 13' ' ' ARG . . . . . 0.524 ' O ' ' HG3' ' B' ' 17' ' ' ARG . 30.6 mmm180 -70.5 -32.26 69.68 Favored 'General case' 0 C--N 1.298 -1.644 0 CA-C-N 114.181 -1.009 . . . . 0.0 112.063 -177.889 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 14' ' ' GLU . . . . . 0.406 ' O ' HD23 ' B' ' 10' ' ' LEU . 46.1 mm-40 -64.67 -34.39 78.18 Favored 'General case' 0 CA--C 1.503 -0.836 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 178.48 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.546 ' O ' ' HG3' ' B' ' 19' ' ' GLN . 11.0 tp -66.9 -41.62 86.83 Favored 'General case' 0 N--CA 1.431 -1.389 0 CA-C-N 114.756 -1.111 . . . . 0.0 108.728 -178.416 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 54.0 t -67.79 -38.24 79.88 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.421 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.421 178.152 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 17' ' ' ARG . . . . . 0.524 ' HG3' ' O ' ' B' ' 13' ' ' ARG . 81.3 mtp180 -57.57 -42.35 82.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.214 0.53 . . . . 0.0 110.61 176.823 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 18' ' ' ALA . . . . . 0.514 ' O ' HG13 ' B' ' 22' ' ' ILE . . . -70.78 -41.26 71.94 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.09 179.438 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 19' ' ' GLN . . . . . 0.546 ' HG3' ' O ' ' B' ' 15' ' ' LEU . 37.1 mt-30 -56.92 -56.11 25.83 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.801 176.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 78.4 mt -55.93 -35.02 39.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.318 -0.856 . . . . 0.0 111.219 179.517 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.0 -33.22 75.53 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.059 0.457 . . . . 0.0 110.451 177.143 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.514 HG13 ' O ' ' B' ' 18' ' ' ALA . 53.6 mt . . . . . 0 C--N 1.324 -0.518 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 177.115 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.559 0 CA-C-O 120.253 0.073 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 53.0 tp -61.17 -45.92 92.63 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 177.29 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.466 ' HA ' ' CD2' ' B' ' 15' ' ' LEU . . . -57.48 -45.46 84.81 Favored 'General case' 0 C--O 1.24 0.578 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.553 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 19.6 m120 -64.38 -48.93 73.57 Favored 'General case' 0 CA--C 1.507 -0.688 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.091 177.126 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -59.31 -52.65 64.73 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.712 -173.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 41.7 m -65.39 -30.71 71.55 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-O 120.593 0.235 . . . . 0.0 110.822 -179.628 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.6 t -79.84 -31.3 40.51 Favored 'General case' 0 N--CA 1.427 -1.598 0 C-N-CA 120.244 -0.582 . . . . 0.0 111.356 -177.067 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -85.97 -51.76 6.15 Favored 'General case' 0 CA--C 1.508 -0.65 0 CA-C-O 121.149 0.499 . . . . 0.0 112.033 -179.453 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.8 m -116.32 -44.99 3.79 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.658 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.893 -176.501 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 127.41 173.84 13.6 Favored Glycine 0 C--N 1.291 -1.965 0 N-CA-C 110.09 -1.204 . . . . 0.0 110.09 178.49 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.2 p -151.72 160.94 43.41 Favored 'General case' 0 C--N 1.286 -2.196 0 CA-C-N 116.972 0.386 . . . . 0.0 110.292 -178.214 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.451 ' O ' ' HB3' ' A' ' 19' ' ' SER . 30.2 p -81.44 157.93 24.75 Favored 'General case' 0 N--CA 1.398 -3.031 0 CA-C-O 121.536 0.684 . . . . 0.0 109.472 178.216 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.591 ' HB2' ' HB3' ' B' ' 6' ' ' GLU . 9.7 tptm -65.53 -28.98 69.56 Favored 'General case' 0 C--N 1.271 -2.805 0 N-CA-C 108.482 -0.932 . . . . 0.0 108.482 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 54.3 mtm180 -61.69 -30.94 71.07 Favored 'General case' 0 N--CA 1.488 1.469 0 CA-C-O 121.278 0.561 . . . . 0.0 111.096 170.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.451 ' HB3' ' O ' ' A' ' 16' ' ' THR . 29.6 t -69.71 -40.93 75.98 Favored 'General case' 0 N--CA 1.426 -1.636 0 CA-C-N 115.393 -0.821 . . . . 0.0 108.796 -177.229 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.489 ' HB3' ' HG2' ' B' ' 19' ' ' GLN . 1.5 mp -77.48 -35.14 53.97 Favored 'General case' 0 C--O 1.199 -1.594 0 C-N-CA 118.781 -1.167 . . . . 0.0 109.289 174.609 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.07 -32.19 67.79 Favored 'General case' 0 N--CA 1.485 1.291 0 N-CA-C 113.245 0.832 . . . . 0.0 113.245 -176.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.405 ' HG2' ' O ' ' A' ' 19' ' ' SER . 18.0 ptp180 . . . . . 0 C--N 1.317 -0.816 0 CA-C-O 121.095 0.474 . . . . 0.0 111.507 179.171 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 6' ' ' GLU . . . . . 0.606 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 23.8 tt0 . . . . . 0 CA--C 1.503 -0.864 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 9.7 p -142.84 138.97 27.97 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.221 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -178.227 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.415 HD12 ' CD ' ' A' ' 17' ' ' LYS . 0.2 OUTLIER -141.19 169.11 15.17 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.201 0 N-CA-C 108.525 -0.916 . . . . 0.0 108.525 -179.014 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -125.93 86.06 2.48 Favored 'General case' 0 C--N 1.308 -1.233 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 177.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 8.8 mp -120.01 173.06 7.3 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.016 -177.383 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 16.7 m -149.85 160.57 43.47 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 -179.102 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 45.43 -120.66 4.29 Favored Glycine 0 CA--C 1.505 -0.557 0 N-CA-C 116.15 1.22 . . . . 0.0 116.15 172.505 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -58.23 -35.08 71.16 Favored 'General case' 0 C--N 1.31 -1.111 0 C-N-CA 124.712 1.205 . . . . 0.0 111.204 -178.22 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -68.23 -36.62 79.78 Favored 'General case' 0 N--CA 1.44 -0.958 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 -179.44 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 96.3 mt -62.53 -41.3 98.78 Favored 'General case' 0 C--O 1.215 -0.72 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.856 176.631 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 59.0 t -66.39 -43.41 91.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 179.368 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 82.9 mtt180 -57.01 -43.44 81.79 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.632 176.183 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 18' ' ' ALA . . . . . 0.573 ' O ' HG13 ' B' ' 22' ' ' ILE . . . -67.01 -46.23 75.13 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.605 178.516 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 19' ' ' GLN . . . . . 0.414 ' HG2' ' HB3' ' A' ' 20' ' ' LEU . 84.5 mt-30 -56.42 -55.79 29.27 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 124.222 1.009 . . . . 0.0 111.259 177.602 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 47.1 mm -59.46 -34.42 54.49 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.036 178.296 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.95 -39.13 93.72 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-O 120.929 0.395 . . . . 0.0 110.261 177.355 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.573 HG13 ' O ' ' B' ' 18' ' ' ALA . 68.1 mt . . . . . 0 C--O 1.211 -0.945 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.828 179.693 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.405 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.7 tp -57.68 -47.33 82.63 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.067 176.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.02 -53.3 59.8 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.5 -179.411 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -63.89 -43.97 94.41 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.315 -179.499 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -56.75 -50.22 72.89 Favored 'General case' 0 CA--C 1.488 -1.44 0 O-C-N 123.15 0.281 . . . . 0.0 111.532 178.16 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.482 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 4.2 t -68.62 -31.15 70.1 Favored 'General case' 0 C--N 1.296 -1.757 0 O-C-N 123.547 0.529 . . . . 0.0 110.269 -175.394 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 8.5 t -77.21 -32.6 56.04 Favored 'General case' 0 N--CA 1.424 -1.748 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.231 -177.723 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 35.9 m-70 -91.24 -53.75 4.22 Favored 'General case' 0 CA--C 1.515 -0.404 0 N-CA-C 113.175 0.805 . . . . 0.0 113.175 -178.517 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.9 m -111.4 -45.51 5.72 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.617 0 CA-C-O 121.507 0.67 . . . . 0.0 111.866 -176.818 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.482 ' C ' ' HA ' ' A' ' 10' ' ' CYS . . . 139.26 164.73 10.0 Favored Glycine 0 C--N 1.284 -2.334 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.686 177.544 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.499 ' SG ' HD11 ' A' ' 20' ' ' LEU . 28.9 p -134.15 163.19 30.15 Favored 'General case' 0 C--N 1.29 -1.982 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 -179.384 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.52 ' O ' HD12 ' A' ' 20' ' ' LEU . 12.4 p -97.83 145.28 26.56 Favored 'General case' 0 N--CA 1.409 -2.479 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.656 179.691 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.606 ' HB2' ' HB3' ' B' ' 6' ' ' GLU . 1.2 tptm -59.26 -35.85 74.45 Favored 'General case' 0 C--N 1.297 -1.694 0 CA-C-N 115.578 -0.737 . . . . 0.0 112.083 -175.516 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 43.8 mtp180 -67.43 -26.51 66.45 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 121.485 0.66 . . . . 0.0 110.054 176.44 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.2 t -73.87 -33.44 64.06 Favored 'General case' 0 N--CA 1.424 -1.748 0 CA-C-N 115.569 -0.742 . . . . 0.0 109.373 -177.83 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.52 HD12 ' O ' ' A' ' 16' ' ' THR . 1.5 mp -79.3 -31.02 43.14 Favored 'General case' 0 CA--C 1.504 -0.806 0 C-N-CA 118.392 -1.323 . . . . 0.0 108.517 173.573 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.68 -36.63 76.86 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.243 -0.889 . . . . 0.0 112.612 -179.007 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 35.3 ptt180 . . . . . 0 C--N 1.315 -0.91 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -179.686 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 . . . . . 0 CA--C 1.484 -1.59 0 N-CA-C 104.404 -2.443 . . . . 0.0 104.404 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 5.9 p -144.43 139.38 23.96 Favored 'Isoleucine or valine' 0 C--N 1.26 -3.302 0 O-C-N 123.806 0.692 . . . . 0.0 109.651 -173.791 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.419 ' HB ' HD13 ' B' ' 10' ' ' LEU . 31.0 pt -134.21 169.65 21.24 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.144 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 -179.267 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -140.16 70.61 1.36 Allowed 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 107.721 -1.214 . . . . 0.0 107.721 176.417 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.517 ' O ' HD13 ' B' ' 15' ' ' LEU . 9.4 mp -107.4 176.02 5.3 Favored 'General case' 0 C--N 1.293 -1.851 0 CA-C-N 114.628 -1.169 . . . . 0.0 109.562 179.594 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 83.4 m -154.49 166.27 33.81 Favored 'General case' 0 C--N 1.286 -2.152 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 -176.653 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 53.16 -128.89 38.92 Favored Glycine 0 CA--C 1.495 -1.186 0 O-C-N 124.227 0.955 . . . . 0.0 114.299 174.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 13' ' ' ARG . . . . . 0.618 ' O ' ' HG3' ' B' ' 17' ' ' ARG . 41.0 mmt180 -71.41 -28.0 63.7 Favored 'General case' 0 C--N 1.3 -1.564 0 CA-C-N 114.685 -0.758 . . . . 0.0 111.499 -177.457 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -75.23 -28.71 60.0 Favored 'General case' 0 CA--C 1.498 -1.057 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 -178.477 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.517 HD13 ' O ' ' B' ' 10' ' ' LEU . 18.1 tp -67.12 -41.13 86.73 Favored 'General case' 0 N--CA 1.431 -1.415 0 CA-C-N 114.965 -1.016 . . . . 0.0 108.269 177.606 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 16' ' ' VAL . . . . . 0.465 ' O ' HG13 ' B' ' 20' ' ' ILE . 44.7 t -68.9 -36.66 75.13 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.989 0 CA-C-N 115.048 -0.978 . . . . 0.0 109.693 178.753 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 17' ' ' ARG . . . . . 0.618 ' HG3' ' O ' ' B' ' 13' ' ' ARG . 91.1 mtt-85 -55.57 -46.26 77.23 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-O 121.253 0.549 . . . . 0.0 110.837 176.449 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.82 -39.91 79.77 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.59 178.801 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 19' ' ' GLN . . . . . 0.471 ' HG2' ' HB3' ' A' ' 20' ' ' LEU . 42.5 mt-30 -59.71 -55.25 36.69 Favored 'General case' 0 C--O 1.206 -1.197 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.32 177.244 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 20' ' ' ILE . . . . . 0.465 HG13 ' O ' ' B' ' 16' ' ' VAL . 81.0 mt -50.97 -44.36 27.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 123.833 0.853 . . . . 0.0 110.689 179.635 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.25 -44.38 95.3 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.818 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.451 HD12 ' HB2' ' A' ' 21' ' ' ALA . 0.4 OUTLIER . . . . . 0 CA--C 1.547 0.858 0 CA-C-O 122.106 0.955 . . . . 0.0 109.957 -178.188 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 -0.23 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.441 HD21 ' HA ' ' A' ' 20' ' ' LEU . 50.0 tp -57.51 -50.34 73.38 Favored 'General case' 0 CA--C 1.528 0.104 0 CA-C-N 115.595 -0.729 . . . . 0.0 109.749 177.61 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.71 -48.06 75.8 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.351 179.262 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -58.63 -43.43 89.71 Favored 'General case' 0 C--O 1.215 -0.756 0 CA-C-N 114.893 -1.049 . . . . 0.0 111.147 178.465 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.8 mmtm -65.82 -52.33 51.53 Favored 'General case' 0 C--N 1.313 -1.021 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 179.103 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 34.1 m -64.85 -35.66 81.85 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 123.198 0.311 . . . . 0.0 111.289 -177.182 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.5 t -78.86 -30.14 44.94 Favored 'General case' 0 N--CA 1.432 -1.351 0 C-N-CA 120.335 -0.546 . . . . 0.0 110.472 -176.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 15.3 m170 -81.83 -56.94 3.66 Favored 'General case' 0 CA--C 1.503 -0.856 0 C-N-CA 120.455 -0.498 . . . . 0.0 111.809 179.742 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.3 m -118.59 -42.07 2.49 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.511 0 CA-C-O 121.711 0.767 . . . . 0.0 111.981 -174.82 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 133.08 176.37 14.37 Favored Glycine 0 N--CA 1.416 -2.692 0 N-CA-C 109.912 -1.275 . . . . 0.0 109.912 178.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.3 p -153.58 160.98 42.6 Favored 'General case' 0 C--N 1.284 -2.254 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 -179.262 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.447 ' O ' HD22 ' A' ' 20' ' ' LEU . 45.1 p -80.91 156.87 25.82 Favored 'General case' 0 N--CA 1.399 -3.022 0 CA-C-O 121.953 0.882 . . . . 0.0 109.932 178.217 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.417 ' HD3' HD23 ' A' ' 20' ' ' LEU . 1.5 tppp? -66.1 -32.02 73.23 Favored 'General case' 0 C--N 1.272 -2.789 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.178 179.457 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.501 ' HA ' ' HB3' ' A' ' 21' ' ' ALA . 47.3 mtm105 -70.6 -20.59 62.75 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.701 172.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.1 t -72.92 -38.27 66.91 Favored 'General case' 0 N--CA 1.439 -1.002 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.471 ' HB3' ' HG2' ' B' ' 19' ' ' GLN . 0.7 OUTLIER -72.04 -44.17 63.78 Favored 'General case' 0 CA--C 1.489 -1.376 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 173.396 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.501 ' HB3' ' HA ' ' A' ' 18' ' ' ARG . . . -51.97 -33.97 40.26 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 114.285 1.217 . . . . 0.0 114.285 -177.377 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.4 ptt180 . . . . . 0 N--CA 1.469 0.515 0 N-CA-C 112.419 0.525 . . . . 0.0 112.419 -178.656 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 6' ' ' GLU . . . . . 0.557 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 6.4 tp10 . . . . . 0 N--CA 1.432 -1.368 0 N-CA-C 106.924 -1.51 . . . . 0.0 106.924 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.4 p -151.58 132.95 4.92 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.643 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.136 -178.737 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -135.65 161.61 38.45 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.525 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 179.715 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 14.7 ptmm? -122.22 83.36 2.09 Favored 'General case' 0 C--N 1.31 -1.152 0 CA-C-O 122.3 1.048 . . . . 0.0 111.279 177.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.401 HD23 ' HB3' ' B' ' 14' ' ' GLU . 8.6 mp -107.8 175.56 5.44 Favored 'General case' 0 C--N 1.296 -1.754 0 CA-C-N 114.741 -1.118 . . . . 0.0 110.059 -178.696 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 29.1 m -147.37 164.58 32.85 Favored 'General case' 0 C--N 1.293 -1.856 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 -179.099 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 48.0 -125.66 12.66 Favored Glycine 0 C--O 1.259 1.678 0 N-CA-C 116.084 1.193 . . . . 0.0 116.084 173.308 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 21.9 mmt180 -71.71 -18.96 62.12 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-N 114.123 -1.038 . . . . 0.0 112.74 -177.178 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 14' ' ' GLU . . . . . 0.401 ' HB3' HD23 ' B' ' 10' ' ' LEU . 62.8 mm-40 -70.68 -34.62 72.17 Favored 'General case' 0 N--CA 1.444 -0.771 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 176.392 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 80.9 mt -63.94 -41.86 97.5 Favored 'General case' 0 CA--C 1.503 -0.843 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.977 175.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 49.0 t -66.56 -44.26 90.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 179.264 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -58.68 -38.86 79.13 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.188 177.263 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 18' ' ' ALA . . . . . 0.632 ' O ' HG13 ' B' ' 22' ' ' ILE . . . -66.2 -55.15 17.66 Favored 'General case' 0 C--N 1.307 -1.27 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.622 176.194 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 19' ' ' GLN . . . . . 0.485 ' CG ' ' HB3' ' A' ' 20' ' ' LEU . 56.4 mt-30 -50.05 -56.27 11.46 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.065 1.346 . . . . 0.0 112.621 -179.625 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 51.8 mm -61.07 -39.05 80.99 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.013 -179.27 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.34 -29.73 67.61 Favored 'General case' 0 C--O 1.22 -0.483 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.157 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.632 HG13 ' O ' ' B' ' 18' ' ' ALA . 79.3 mt . . . . . 0 CA--C 1.51 -0.578 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 177.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.604 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 65.8 tp -61.84 -40.3 94.84 Favored 'General case' 0 CA--C 1.518 -0.261 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 176.446 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.42 -52.26 66.09 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 115.188 -0.914 . . . . 0.0 110.983 178.311 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -60.04 -49.06 79.15 Favored 'General case' 0 C--O 1.218 -0.586 0 O-C-N 123.322 0.389 . . . . 0.0 110.931 179.512 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 44.8 tttp -60.01 -44.96 94.22 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.29 -177.009 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.542 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 10.0 t -71.36 -32.77 68.9 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.196 -178.764 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.7 t -74.67 -30.53 61.62 Favored 'General case' 0 N--CA 1.427 -1.576 0 CA-C-N 116.3 -0.409 . . . . 0.0 109.979 -178.657 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 34.9 m80 -83.28 -57.97 3.04 Favored 'General case' 0 CA--C 1.514 -0.417 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 178.464 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.0 m -112.32 -51.75 5.67 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.434 0 CA-C-O 121.337 0.589 . . . . 0.0 111.561 -176.62 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.542 ' C ' ' HA ' ' A' ' 10' ' ' CYS . . . 150.54 174.28 21.48 Favored Glycine 0 N--CA 1.418 -2.513 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 178.397 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.479 ' SG ' HD11 ' A' ' 20' ' ' LEU . 14.2 p -137.37 150.99 48.1 Favored 'General case' 0 C--N 1.283 -2.324 0 CA-C-O 120.895 0.378 . . . . 0.0 110.432 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.604 ' O ' HD12 ' A' ' 20' ' ' LEU . 19.4 p -85.8 144.27 27.83 Favored 'General case' 0 N--CA 1.402 -2.834 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.36 179.665 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.557 ' HB2' ' HB3' ' B' ' 6' ' ' GLU . 39.5 tptt -61.02 -37.84 83.99 Favored 'General case' 0 C--N 1.289 -2.053 0 C-N-CA 123.622 0.769 . . . . 0.0 110.539 -173.487 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 71.7 mtp180 -68.83 -23.54 64.27 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.021 0.439 . . . . 0.0 110.969 177.196 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.0 t -75.04 -43.15 55.21 Favored 'General case' 0 N--CA 1.426 -1.647 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 178.751 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.604 HD12 ' O ' ' A' ' 16' ' ' THR . 1.6 mp -70.54 -28.29 64.81 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 118.907 -1.117 . . . . 0.0 109.109 176.547 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.523 ' HB2' HG21 ' B' ' 22' ' ' ILE . . . -63.75 -38.81 92.5 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.548 176.836 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.9 tpm_? . . . . . 0 C--N 1.311 -1.085 0 CA-C-N 114.876 -1.056 . . . . 0.0 110.276 178.561 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 . . . . . 0 N--CA 1.414 -2.272 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 7' ' ' VAL . . . . . 0.41 ' HA ' ' HA ' ' A' ' 16' ' ' THR . 7.6 p -131.62 138.58 52.61 Favored 'Isoleucine or valine' 0 C--N 1.26 -3.315 0 CA-C-N 114.596 -1.183 . . . . 0.0 107.89 178.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 32.2 pt -137.3 172.43 14.78 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 -178.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -137.13 82.24 1.92 Allowed 'General case' 0 C--N 1.298 -1.66 0 CA-C-O 121.911 0.862 . . . . 0.0 109.163 176.707 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.575 HD23 ' HB3' ' B' ' 14' ' ' GLU . 9.2 mp -119.24 175.68 5.68 Favored 'General case' 0 C--N 1.305 -1.351 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.931 -178.255 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 35.1 m -147.52 162.51 38.92 Favored 'General case' 0 C--N 1.3 -1.584 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.078 -178.645 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 47.46 -121.13 6.28 Favored Glycine 0 C--O 1.244 0.781 0 N-CA-C 115.791 1.076 . . . . 0.0 115.791 172.766 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 13' ' ' ARG . . . . . 0.519 ' O ' ' HG2' ' B' ' 17' ' ' ARG . 31.5 ttm180 -66.87 -28.94 68.74 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-N 114.014 -1.093 . . . . 0.0 111.576 -176.752 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 14' ' ' GLU . . . . . 0.575 ' HB3' HD23 ' B' ' 10' ' ' LEU . 7.8 mp0 -71.26 -31.36 67.42 Favored 'General case' 0 CA--C 1.519 -0.242 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 179.588 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 98.2 mt -64.34 -41.1 96.95 Favored 'General case' 0 CA--C 1.502 -0.882 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 174.583 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 16' ' ' VAL . . . . . 0.511 ' O ' HG12 ' B' ' 20' ' ' ILE . 45.1 t -64.99 -41.81 93.09 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.775 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.306 178.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 17' ' ' ARG . . . . . 0.519 ' HG2' ' O ' ' B' ' 13' ' ' ARG . 38.9 mmt180 -53.36 -54.16 40.64 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.449 176.313 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.36 -37.62 84.03 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.695 -179.312 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 19' ' ' GLN . . . . . 0.657 ' O ' HG22 ' B' ' 22' ' ' ILE . 53.1 mt-30 -66.68 -52.19 47.55 Favored 'General case' 0 C--N 1.313 -1.006 0 C-N-CA 123.964 0.906 . . . . 0.0 111.556 177.569 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 20' ' ' ILE . . . . . 0.511 HG12 ' O ' ' B' ' 16' ' ' VAL . 46.2 mm -64.27 -37.97 81.29 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.744 0 CA-C-O 121.02 0.438 . . . . 0.0 110.08 179.205 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.76 -33.4 70.75 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.14 179.59 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.657 HG22 ' O ' ' B' ' 19' ' ' GLN . 7.7 tt . . . . . 0 C--O 1.224 -0.276 0 CA-C-O 121.166 0.508 . . . . 0.0 109.667 -178.841 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.212 -0.911 0 CA-C-O 119.971 -0.062 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.622 HD21 HD23 ' A' ' 20' ' ' LEU . 68.3 tp -53.24 -43.26 67.19 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.114 0.565 . . . . 0.0 111.235 179.758 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.03 -43.64 91.71 Favored 'General case' 0 C--O 1.248 1.004 0 CA-C-O 121.299 0.571 . . . . 0.0 110.952 -178.057 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 65.2 m-20 -73.57 -43.44 59.81 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.197 -178.237 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 41.2 tptt -62.18 -42.26 99.11 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.056 -175.777 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.549 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 7.2 t -68.71 -35.49 77.22 Favored 'General case' 0 C--N 1.312 -1.033 0 O-C-N 123.537 0.523 . . . . 0.0 110.081 -179.446 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.0 t -74.46 -31.12 62.13 Favored 'General case' 0 N--CA 1.433 -1.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.351 -177.776 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 32.1 m80 -83.21 -56.77 3.59 Favored 'General case' 0 CA--C 1.513 -0.451 0 N-CA-C 112.038 0.385 . . . . 0.0 112.038 178.501 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 26.1 m -115.66 -49.21 4.71 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 CA-C-O 121.166 0.508 . . . . 0.0 112.204 -175.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.549 ' C ' ' HA ' ' A' ' 10' ' ' CYS . . . 149.47 172.31 18.92 Favored Glycine 0 C--N 1.289 -2.073 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 177.274 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.645 ' SG ' HD21 ' A' ' 20' ' ' LEU . 26.3 p -142.18 163.12 33.73 Favored 'General case' 0 C--N 1.291 -1.966 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 -177.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.41 ' HA ' ' HA ' ' B' ' 7' ' ' VAL . 23.3 p -99.57 152.12 20.39 Favored 'General case' 0 N--CA 1.406 -2.648 0 CA-C-O 121.609 0.719 . . . . 0.0 111.226 179.437 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.411 ' HG3' HD12 ' B' ' 22' ' ' ILE . 1.6 tppp? -64.06 -41.07 97.49 Favored 'General case' 0 C--N 1.295 -1.763 0 CA-C-N 114.973 -1.012 . . . . 0.0 109.208 -177.809 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -55.63 -35.49 65.96 Favored 'General case' 0 N--CA 1.489 1.507 0 CA-C-O 122.265 1.031 . . . . 0.0 111.891 173.16 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.473 ' O ' ' HG2' ' A' ' 22' ' ' ARG . 12.4 t -73.78 -36.62 65.08 Favored 'General case' 0 C--N 1.276 -2.626 0 CA-C-N 114.258 -1.337 . . . . 0.0 110.296 -177.196 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.645 HD21 ' SG ' ' A' ' 15' ' ' CYS . 6.1 mt -75.99 -28.03 57.66 Favored 'General case' 0 CA--C 1.499 -0.988 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 176.135 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.432 ' HB2' HD13 ' B' ' 22' ' ' ILE . . . -58.14 -41.19 83.17 Favored 'General case' 0 C--N 1.32 -0.681 0 O-C-N 123.871 0.732 . . . . 0.0 111.061 178.492 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.473 ' HG2' ' O ' ' A' ' 19' ' ' SER . 12.5 ptm180 . . . . . 0 CA--C 1.542 0.642 0 CA-C-O 121.231 0.539 . . . . 0.0 112.081 -178.572 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 . . . . . 0 N--CA 1.404 -2.733 0 N-CA-C 106.445 -1.687 . . . . 0.0 106.445 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 7' ' ' VAL . . . . . 0.441 ' HA ' ' O ' ' A' ' 15' ' ' CYS . 7.2 p -141.15 119.52 9.84 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.654 0 O-C-N 124.455 1.097 . . . . 0.0 108.704 -178.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 17.4 pt -126.19 172.43 13.53 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.169 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.256 -175.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -133.68 91.85 2.9 Favored 'General case' 0 C--N 1.29 -2.019 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.494 HD23 ' HB3' ' B' ' 14' ' ' GLU . 10.8 mp -124.13 175.12 7.21 Favored 'General case' 0 C--N 1.302 -1.479 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.123 -177.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 40.5 m -145.5 157.56 43.98 Favored 'General case' 0 C--N 1.298 -1.642 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.366 -179.665 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 45.99 -115.98 1.95 Allowed Glycine 0 CA--C 1.502 -0.774 0 N-CA-C 116.418 1.327 . . . . 0.0 116.418 174.063 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 48.0 mtp180 -68.72 -27.57 66.05 Favored 'General case' 0 C--N 1.285 -2.206 0 CA-C-N 113.656 -1.272 . . . . 0.0 111.539 -177.002 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 14' ' ' GLU . . . . . 0.494 ' HB3' HD23 ' B' ' 10' ' ' LEU . 71.7 mm-40 -70.19 -33.64 71.97 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 176.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 86.3 mt -61.88 -41.03 97.39 Favored 'General case' 0 CA--C 1.504 -0.806 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 175.467 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 16' ' ' VAL . . . . . 0.426 ' O ' HG12 ' B' ' 20' ' ' ILE . 43.8 t -65.05 -41.12 91.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.316 177.64 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -58.72 -43.0 90.01 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.462 176.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.99 -36.11 79.45 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-O 121.219 0.533 . . . . 0.0 110.613 178.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 19' ' ' GLN . . . . . 0.63 ' O ' HG22 ' B' ' 22' ' ' ILE . 92.9 mt-30 -64.17 -53.18 53.52 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.192 175.684 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 20' ' ' ILE . . . . . 0.426 HG12 ' O ' ' B' ' 16' ' ' VAL . 45.3 mm -55.6 -39.27 53.67 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.276 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.908 175.181 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.74 -32.24 73.33 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.658 -0.701 . . . . 0.0 112.196 179.413 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.63 HG22 ' O ' ' B' ' 19' ' ' GLN . 0.2 OUTLIER . . . . . 0 C--N 1.317 -0.806 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 -177.56 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.516 0 N-CA-C 110.654 -0.128 . . . . 0.0 110.654 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 41.5 tp -57.36 -46.21 83.59 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 123.82 0.848 . . . . 0.0 110.672 177.516 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.77 -51.14 71.03 Favored 'General case' 0 C--O 1.238 0.473 0 O-C-N 123.608 0.567 . . . . 0.0 110.353 -179.423 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -59.76 -45.75 91.3 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.457 178.595 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -61.56 -47.37 85.85 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.435 -177.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.495 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 7.6 t -67.92 -32.77 73.47 Favored 'General case' 0 C--N 1.3 -1.549 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.36 -175.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.4 t -75.73 -37.03 59.75 Favored 'General case' 0 N--CA 1.429 -1.486 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.31 -179.55 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 10.4 m170 -77.92 -52.62 8.56 Favored 'General case' 0 CA--C 1.507 -0.691 0 CA-C-O 121.052 0.453 . . . . 0.0 111.608 -179.085 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 17.3 m -121.54 -50.07 3.01 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.67 0 N-CA-C 113.148 0.796 . . . . 0.0 113.148 -176.513 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.495 ' C ' ' HA ' ' A' ' 10' ' ' CYS . . . 150.48 169.22 16.21 Favored Glycine 0 N--CA 1.431 -1.666 0 C-N-CA 120.982 -0.628 . . . . 0.0 112.248 178.163 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.556 ' SG ' HD11 ' A' ' 20' ' ' LEU . 27.0 p -142.81 160.2 40.78 Favored 'General case' 0 C--N 1.299 -1.59 0 CA-C-O 120.871 0.367 . . . . 0.0 110.875 -177.301 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.574 ' O ' HD12 ' A' ' 20' ' ' LEU . 19.9 p -93.35 143.82 25.91 Favored 'General case' 0 N--CA 1.405 -2.678 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.607 178.268 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -60.48 -36.13 77.57 Favored 'General case' 0 C--N 1.307 -1.245 0 C-N-CA 124.007 0.923 . . . . 0.0 110.616 -176.802 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.404 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 26.6 mmm180 -61.63 -30.92 71.02 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.226 173.559 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.1 t -76.52 -33.49 58.59 Favored 'General case' 0 N--CA 1.426 -1.645 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.081 -176.264 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.574 HD12 ' O ' ' A' ' 16' ' ' THR . 2.0 mp -79.23 -29.43 42.73 Favored 'General case' 0 CA--C 1.498 -1.023 0 C-N-CA 119.048 -1.061 . . . . 0.0 108.983 174.471 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.615 ' HA ' HG21 ' B' ' 22' ' ' ILE . . . -52.91 -46.13 67.9 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 124.495 1.122 . . . . 0.0 112.033 179.394 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 28.8 ptt180 . . . . . 0 C--N 1.317 -0.827 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.74 -176.799 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' ASP . . . . . 0.408 ' HB2' ' CZ3' ' B' ' 3' ' ' TRP . 4.1 p30 . . . . . 0 CA--C 1.508 -0.656 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 2.8 p -156.3 102.11 2.09 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-O 121.811 0.815 . . . . 0.0 110.668 176.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' TRP . . . . . 0.525 ' CZ3' HG12 ' B' ' 22' ' ' ILE . 1.3 m95 -69.04 -13.3 62.37 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 114.611 -1.177 . . . . 0.0 113.253 -173.465 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 4' ' ' MET . . . . . 0.59 ' O ' ' HD3' ' A' ' 18' ' ' ARG . 28.2 ttt -76.1 -31.84 58.9 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 120.316 -0.554 . . . . 0.0 110.482 177.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -134.92 -101.24 0.23 Allowed 'General case' 0 N--CA 1.432 -1.367 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 -178.106 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.408 ' O ' ' HA ' ' A' ' 16' ' ' THR . 24.8 mt-10 54.27 122.41 0.0 OUTLIER 'General case' 0 C--O 1.224 -0.27 0 N-CA-C 115.414 1.635 . . . . 0.0 115.414 -173.567 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 4.0 p -126.62 117.6 48.58 Favored 'Isoleucine or valine' 0 C--N 1.277 -2.586 0 N-CA-C 106.866 -1.531 . . . . 0.0 106.866 172.519 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.48 ' HB ' HD13 ' B' ' 10' ' ' LEU . 23.2 pt -116.57 164.25 13.05 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.022 0 CA-C-O 121.178 0.513 . . . . 0.0 110.63 -174.584 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -129.52 76.36 1.72 Allowed 'General case' 0 C--N 1.29 -2.021 0 CA-C-N 114.796 -1.093 . . . . 0.0 108.676 178.522 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.48 HD13 ' HB ' ' B' ' 8' ' ' ILE . 10.3 mp -118.83 174.84 6.05 Favored 'General case' 0 CA--C 1.482 -1.643 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.147 -178.524 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 58.4 m -151.78 166.12 32.34 Favored 'General case' 0 C--N 1.287 -2.141 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 -177.444 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 45.34 -119.74 3.65 Favored Glycine 0 CA--C 1.501 -0.844 0 N-CA-C 116.531 1.372 . . . . 0.0 116.531 171.165 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 9.8 ptp85 -73.36 -28.09 61.85 Favored 'General case' 0 C--N 1.294 -1.828 0 CA-C-N 114.493 -0.853 . . . . 0.0 111.524 -175.366 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -73.33 -32.03 64.33 Favored 'General case' 0 CA--C 1.496 -1.126 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.596 ' O ' ' HG3' ' B' ' 19' ' ' GLN . 10.7 tp -66.57 -41.67 88.21 Favored 'General case' 0 N--CA 1.434 -1.259 0 CA-C-N 114.403 -1.272 . . . . 0.0 108.695 179.469 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 16' ' ' VAL . . . . . 0.445 ' O ' HG12 ' B' ' 20' ' ' ILE . 57.5 t -69.46 -38.83 77.79 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.439 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.407 178.354 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 52.1 mtp180 -57.46 -45.25 84.98 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-O 120.868 0.366 . . . . 0.0 111.019 175.442 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.98 -37.96 89.38 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.248 178.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' GLN . . . . . 0.596 ' HG2' ' HB3' ' A' ' 20' ' ' LEU . 47.0 mt-30 -62.71 -55.87 22.82 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.749 177.098 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 20' ' ' ILE . . . . . 0.445 HG12 ' O ' ' B' ' 16' ' ' VAL . 46.6 mm -53.7 -44.41 58.51 Favored 'Isoleucine or valine' 0 C--O 1.242 0.674 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.161 178.085 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.98 -49.56 67.4 Favored 'General case' 0 N--CA 1.438 -1.025 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.165 179.157 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.525 HG12 ' CZ3' ' B' ' 3' ' ' TRP . 0.3 OUTLIER -63.59 -43.68 98.3 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.007 0 CA-C-O 121.032 0.444 . . . . 0.0 110.955 -176.167 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 6.7 t -80.33 -20.78 43.45 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-O 120.95 0.405 . . . . 0.0 110.641 -173.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.81 -35.8 11.06 Favored Glycine 0 N--CA 1.44 -1.1 0 C-N-CA 120.633 -0.794 . . . . 0.0 111.396 177.226 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 86.7 mtp -92.18 33.01 1.1 Allowed 'General case' 0 C--N 1.318 -0.768 0 C-N-CA 122.797 0.439 . . . . 0.0 111.604 -177.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 22.5 m -81.91 20.26 1.0 Allowed 'General case' 0 C--N 1.305 -1.335 0 CA-C-O 121.312 0.577 . . . . 0.0 111.384 -178.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 8.4 m -74.57 -18.63 60.55 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 122.437 1.113 . . . . 0.0 110.125 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' TRP . . . . . . . . . . . . . 75.9 t-105 -99.99 133.27 44.6 Favored 'General case' 0 C--N 1.273 -2.725 0 CA-C-N 114.21 -1.359 . . . . 0.0 108.986 179.561 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 40.9 m -94.02 91.74 7.0 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 176.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.06 0 CA-C-N 116.226 -0.443 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.704 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 85.1 mt -69.24 -33.45 73.3 Favored 'General case' 0 CA--C 1.473 -2.005 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.18 -179.264 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -73.43 -39.25 65.16 Favored 'General case' 0 N--CA 1.398 -3.034 0 C-N-CA 118.202 -1.399 . . . . 0.0 110.489 177.066 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 26.7 t -63.72 -36.08 82.68 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 177.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.98 -47.38 86.71 Favored 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 176.319 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 41.0 tp -63.0 -47.89 81.15 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.478 178.108 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.14 -49.42 66.6 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 123.643 0.777 . . . . 0.0 111.702 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -65.75 -45.25 83.29 Favored 'General case' 0 CA--C 1.506 -0.742 0 O-C-N 123.239 0.337 . . . . 0.0 110.777 177.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -59.65 -50.38 74.1 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.736 -176.203 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.406 ' HA ' ' HA2' ' A' ' 14' ' ' GLY . 33.5 m -67.66 -31.55 71.62 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-O 120.833 0.349 . . . . 0.0 110.6 -178.357 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.1 t -79.24 -24.85 42.75 Favored 'General case' 0 N--CA 1.429 -1.503 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.195 -176.168 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -92.31 -63.67 1.21 Allowed 'General case' 0 N--CA 1.446 -0.645 0 CA-C-O 121.181 0.515 . . . . 0.0 111.124 179.099 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 17.0 m -108.25 -45.13 7.04 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.514 0 CA-C-O 121.533 0.682 . . . . 0.0 111.388 -174.046 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.406 ' HA2' ' HA ' ' A' ' 10' ' ' CYS . . . 132.52 176.07 14.25 Favored Glycine 0 N--CA 1.412 -2.921 0 N-CA-C 110.375 -1.09 . . . . 0.0 110.375 178.734 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.8 p -151.55 163.39 39.15 Favored 'General case' 0 C--N 1.281 -2.397 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 -179.374 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.508 ' O ' HD12 ' A' ' 20' ' ' LEU . 18.9 p -82.0 145.39 30.27 Favored 'General case' 0 N--CA 1.391 -3.379 0 CA-C-O 121.118 0.485 . . . . 0.0 110.104 179.111 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.7 tptm -64.79 -26.4 68.33 Favored 'General case' 0 C--N 1.273 -2.721 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 179.068 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.59 ' HD3' ' O ' ' B' ' 4' ' ' MET . 18.9 mtm180 -67.92 -28.43 67.48 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.435 -1.257 . . . . 0.0 110.125 174.086 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.445 ' O ' ' HG2' ' A' ' 22' ' ' ARG . 23.5 p -73.31 -45.69 53.95 Favored 'General case' 0 N--CA 1.438 -1.052 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 -178.151 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.596 ' HB3' ' HG2' ' B' ' 19' ' ' GLN . 1.7 mp -68.54 -27.62 66.26 Favored 'General case' 0 CA--C 1.501 -0.905 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 177.471 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.79 -38.96 87.1 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.904 176.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.445 ' HG2' ' O ' ' A' ' 19' ' ' SER . 3.3 ptm180 -81.71 -12.81 58.48 Favored 'General case' 0 C--N 1.317 -0.844 0 C-N-CA 119.661 -0.816 . . . . 0.0 111.268 -179.399 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -92.86 -55.94 3.18 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 120.94 -0.304 . . . . 0.0 111.754 177.253 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 87.4 m 67.74 -78.77 0.04 OUTLIER 'General case' 0 C--N 1.312 -1.046 0 C-N-CA 124.073 0.949 . . . . 0.0 112.565 -177.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.314 -0.943 0 O-C-N 121.964 -0.46 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 21.9 t70 . . . . . 0 CA--C 1.508 -0.644 0 N-CA-C 112.516 0.561 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 14.4 m -76.94 142.88 39.86 Favored 'General case' 0 C--N 1.3 -1.547 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.695 -176.173 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' TRP . . . . . . . . . . . . . 21.3 m95 -93.87 -53.94 3.81 Favored 'General case' 0 C--N 1.289 -2.037 0 N-CA-C 114.434 1.272 . . . . 0.0 114.434 -176.089 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' MET . . . . . 0.433 ' CE ' ' HB3' ' B' ' 28' ' ' TRP . 1.9 mpt? -63.49 -46.97 83.69 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-O 120.894 0.378 . . . . 0.0 111.689 -172.287 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -130.1 86.8 2.44 Favored 'General case' 0 N--CA 1.42 -1.947 0 CA-C-O 121.983 0.897 . . . . 0.0 111.691 -177.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.59 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 24.3 tt0 -141.92 149.27 39.95 Favored 'General case' 0 C--N 1.285 -2.234 0 N-CA-C 103.937 -2.616 . . . . 0.0 103.937 172.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 10.5 p -137.84 137.8 44.65 Favored 'Isoleucine or valine' 0 C--N 1.276 -2.613 0 O-C-N 123.613 0.571 . . . . 0.0 111.378 -172.314 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 18.9 pt -136.64 172.34 15.34 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.356 0 CA-C-N 115.368 -0.833 . . . . 0.0 108.998 178.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' LYS . . . . . 0.461 ' HE3' ' O ' ' A' ' 13' ' ' VAL . 63.0 mttp -137.16 86.96 2.24 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 179.177 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.446 HD13 ' HA ' ' B' ' 10' ' ' LEU . 1.2 mm? -124.21 176.58 6.33 Favored 'General case' 0 CA--C 1.47 -2.121 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 -179.5 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 13.4 m -154.55 166.09 34.43 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 107.237 -1.394 . . . . 0.0 107.237 -175.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 51.33 -136.35 31.14 Favored Glycine 0 C--O 1.238 0.353 0 O-C-N 123.78 0.675 . . . . 0.0 114.419 173.188 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.07 -10.01 59.71 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -178.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -75.68 -29.1 58.92 Favored 'General case' 0 C--O 1.241 0.639 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 176.536 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.55 ' O ' ' HG3' ' B' ' 19' ' ' GLN . 14.1 tp -73.4 -42.09 62.52 Favored 'General case' 0 N--CA 1.428 -1.559 0 CA-C-N 113.592 -1.64 . . . . 0.0 107.749 177.61 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 94.6 t -65.03 -40.99 90.86 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.59 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 49.7 ttp180 -52.43 -52.29 54.76 Favored 'General case' 0 C--O 1.251 1.176 0 C-N-CA 124.356 1.062 . . . . 0.0 108.761 177.077 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' ALA . . . . . 0.573 ' O ' HG13 ' B' ' 22' ' ' ILE . . . -60.19 -51.22 70.49 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 113.456 -1.702 . . . . 0.0 110.746 176.461 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 19' ' ' GLN . . . . . 0.604 ' HG2' ' HB3' ' A' ' 20' ' ' LEU . 93.4 mt-30 -48.81 -56.32 9.04 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.139 0.975 . . . . 0.0 112.415 179.511 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 47.7 mm -53.7 -41.72 48.37 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.827 179.281 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' ALA . . . . . 0.431 ' O ' ' HG2' ' B' ' 25' ' ' MET . . . -65.0 -41.56 95.28 Favored 'General case' 0 C--O 1.219 -0.512 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.654 178.648 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.573 HG13 ' O ' ' B' ' 18' ' ' ALA . 45.3 mt -72.41 -49.1 44.46 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.043 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.405 -177.247 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 23' ' ' CYS . . . . . 0.479 ' SG ' ' HA ' ' A' ' 21' ' ' ALA . 17.8 m -74.46 -23.38 58.88 Favored 'General case' 0 CA--C 1.502 -0.89 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -174.299 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.44 -25.47 73.75 Favored Glycine 0 C--N 1.301 -1.408 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.701 175.488 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' MET . . . . . 0.431 ' HG2' ' O ' ' B' ' 21' ' ' ALA . 21.2 ptt? -141.13 47.66 1.7 Allowed 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -177.06 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 39.3 m -82.02 69.09 8.65 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.724 0.773 . . . . 0.0 109.243 177.19 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 12.7 m -72.55 -20.52 61.31 Favored 'General case' 0 C--N 1.307 -1.282 0 CA-C-N 115.189 -0.914 . . . . 0.0 112.274 -177.116 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' TRP . . . . . 0.433 ' HB3' ' CE ' ' B' ' 4' ' ' MET . 97.6 m95 -117.08 138.62 51.5 Favored 'General case' 0 C--N 1.271 -2.82 0 CA-C-N 114.923 -1.035 . . . . 0.0 112.258 -176.414 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 6.5 p -79.44 -84.65 0.09 Allowed 'General case' 0 N--CA 1.439 -1.021 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.917 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.045 0 O-C-N 122.082 -0.386 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.44 0 CA-C-O 120.68 0.276 . . . . 0.0 110.704 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 91.1 mt -78.48 -22.63 47.2 Favored 'General case' 0 CA--C 1.505 -0.754 0 CA-C-O 121.239 0.543 . . . . 0.0 111.06 -178.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.15 -37.56 77.6 Favored 'General case' 0 C--N 1.303 -1.453 0 CA-C-N 115.221 -0.899 . . . . 0.0 109.523 171.175 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 32.2 t -81.85 -27.15 33.7 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.575 178.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.92 -45.13 95.05 Favored 'General case' 0 CA--C 1.512 -0.495 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 176.312 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.513 HD21 ' HA ' ' A' ' 20' ' ' LEU . 37.2 tp -54.39 -46.71 73.16 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.243 175.636 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.76 -50.75 71.35 Favored 'General case' 0 CA--C 1.508 -0.666 0 O-C-N 123.689 0.618 . . . . 0.0 110.641 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -61.67 -49.25 77.26 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.811 179.18 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt -59.23 -43.62 92.35 Favored 'General case' 0 C--N 1.317 -0.814 0 C-N-CA 122.801 0.44 . . . . 0.0 111.768 -179.304 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.473 ' HA ' ' CA ' ' A' ' 14' ' ' GLY . 10.9 t -74.79 -27.98 60.54 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-O 121.132 0.491 . . . . 0.0 110.383 -177.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.9 t -76.89 -24.99 52.53 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-O 121.499 0.666 . . . . 0.0 109.393 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 53.7 m80 -94.64 -69.66 0.74 Allowed 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.708 177.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.461 ' O ' ' HE3' ' B' ' 9' ' ' LYS . 19.7 m -95.15 -47.91 13.01 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.159 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.794 -176.19 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.473 ' CA ' ' HA ' ' A' ' 10' ' ' CYS . . . 136.45 174.41 13.33 Favored Glycine 0 C--N 1.285 -2.261 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 177.622 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.503 ' SG ' HD11 ' A' ' 20' ' ' LEU . 20.2 p -139.77 153.77 47.23 Favored 'General case' 0 C--N 1.287 -2.113 0 CA-C-O 120.886 0.374 . . . . 0.0 111.292 -177.149 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.575 ' O ' HD12 ' A' ' 20' ' ' LEU . 61.3 p -89.82 146.55 24.37 Favored 'General case' 0 N--CA 1.415 -2.217 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 176.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.59 ' HB2' ' HB3' ' B' ' 6' ' ' GLU . 2.6 tptm -52.7 -44.85 66.58 Favored 'General case' 0 C--N 1.283 -2.295 0 C-N-CA 124.543 1.137 . . . . 0.0 112.533 -175.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.45 ' HD2' ' HA ' ' A' ' 18' ' ' ARG . 7.5 mmm180 -71.06 -20.39 62.37 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 119.925 -0.71 . . . . 0.0 112.871 175.812 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.3 t -71.43 -41.21 69.77 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 178.208 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.604 ' HB3' ' HG2' ' B' ' 19' ' ' GLN . 3.9 mp -67.41 -38.12 84.14 Favored 'General case' 0 CA--C 1.489 -1.373 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 174.746 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.479 ' HA ' ' SG ' ' B' ' 23' ' ' CYS . . . -60.12 -25.72 65.68 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 114.59 -1.187 . . . . 0.0 113.728 -179.045 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.0 ptp180 -84.2 -9.78 58.26 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 119.312 -0.955 . . . . 0.0 110.977 178.692 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -111.59 -82.64 0.58 Allowed 'General case' 0 C--N 1.311 -1.084 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.917 178.62 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 99.5 m 57.18 87.7 0.06 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.082 -0.963 . . . . 0.0 112.051 -174.502 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.826 0 CA-C-N 116.159 -0.473 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 . . . . . 0 N--CA 1.476 0.836 0 CA-C-O 120.877 0.37 . . . . 0.0 111.267 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 15.2 m -82.52 149.07 27.74 Favored 'General case' 0 N--CA 1.423 -1.815 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 -178.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' TRP . . . . . 0.568 ' O ' ' HG3' ' A' ' 18' ' ' ARG . 39.7 m95 -91.22 -39.94 11.81 Favored 'General case' 0 C--N 1.291 -1.958 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.587 -179.379 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 4' ' ' MET . . . . . 0.624 ' SD ' ' HD3' ' A' ' 18' ' ' ARG . 96.0 mmm -69.11 -46.15 68.41 Favored 'General case' 0 CA--C 1.502 -0.891 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.454 179.375 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -114.17 85.48 2.23 Favored 'General case' 0 N--CA 1.427 -1.611 0 CA-C-N 114.659 -1.155 . . . . 0.0 111.608 -174.098 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.672 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 22.7 tt0 -164.97 146.63 7.84 Favored 'General case' 0 C--N 1.306 -1.287 0 N-CA-C 106.901 -1.518 . . . . 0.0 106.901 171.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 7' ' ' VAL . . . . . 0.404 ' HA ' ' HA ' ' A' ' 16' ' ' THR . 6.0 p -148.6 123.26 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.282 -2.355 0 O-C-N 124.302 1.001 . . . . 0.0 108.862 -179.682 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 18.7 pt -125.26 169.82 16.15 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.97 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.985 -176.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -127.78 88.01 2.71 Favored 'General case' 0 C--N 1.29 -2.014 0 CA-C-N 115.252 -0.886 . . . . 0.0 108.879 177.372 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 10.6 mp -119.76 170.34 9.3 Favored 'General case' 0 C--N 1.291 -1.956 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.657 178.048 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 48.9 t -161.92 164.11 28.71 Favored 'General case' 0 C--N 1.281 -2.386 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 -175.457 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 54.15 -130.53 44.33 Favored Glycine 0 C--N 1.295 -1.725 0 O-C-N 124.573 1.17 . . . . 0.0 113.638 178.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.427 ' O ' ' HG3' ' B' ' 17' ' ' ARG . 71.3 ttt180 -66.48 -35.29 79.92 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-N 114.838 -0.681 . . . . 0.0 111.9 -178.77 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -64.88 -35.83 82.39 Favored 'General case' 0 CA--C 1.5 -0.95 0 C-N-CA 120.363 -0.535 . . . . 0.0 109.674 -177.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.437 ' CD2' ' HA ' ' A' ' 7' ' ' ALA . 35.8 tp -65.13 -41.64 94.63 Favored 'General case' 0 N--CA 1.438 -1.044 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.429 -178.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 74.7 t -68.94 -37.94 77.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.017 177.724 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' ARG . . . . . 0.427 ' HG3' ' O ' ' B' ' 13' ' ' ARG . 81.8 mtp180 -60.83 -41.22 95.36 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.31 178.126 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 18' ' ' ALA . . . . . 0.585 ' O ' HG13 ' B' ' 22' ' ' ILE . . . -67.61 -46.52 72.3 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.879 177.33 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 19' ' ' GLN . . . . . 0.642 ' HG2' ' HB3' ' A' ' 20' ' ' LEU . 94.2 mt-30 -50.92 -57.8 7.62 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.048 0.939 . . . . 0.0 111.352 177.837 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 1.7 mp -59.51 -36.49 64.98 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.185 0 CA-C-N 115.277 -0.874 . . . . 0.0 112.122 178.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.76 -44.05 91.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.745 0.307 . . . . 0.0 110.427 178.461 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.585 HG13 ' O ' ' B' ' 18' ' ' ALA . 64.0 mt -62.14 -39.02 82.38 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.808 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.712 178.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 23' ' ' CYS . . . . . 0.426 ' HA ' ' HB2' ' B' ' 26' ' ' SER . 77.3 m -74.79 -23.79 58.56 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-O 121.185 0.517 . . . . 0.0 112.043 -177.144 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.13 -20.21 77.7 Favored Glycine 0 C--N 1.29 -1.991 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.294 173.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 65.2 mtm -123.89 35.37 4.85 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 123.35 0.66 . . . . 0.0 109.29 -178.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' SER . . . . . 0.426 ' HB2' ' HA ' ' B' ' 23' ' ' CYS . 23.0 t -85.25 68.75 10.61 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 121.81 0.814 . . . . 0.0 111.384 -174.333 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 11.5 m -84.69 -18.17 36.17 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-O 122.6 1.19 . . . . 0.0 109.08 176.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' TRP . . . . . . . . . . . . . 71.9 m95 -130.11 165.61 21.92 Favored 'General case' 0 C--N 1.28 -2.439 0 CA-C-N 113.539 -1.664 . . . . 0.0 106.933 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 32.7 t -90.21 96.8 10.84 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 108.577 -0.898 . . . . 0.0 108.577 179.14 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.034 0 CA-C-N 116.422 -0.354 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.031 0 CA-C-O 120.743 0.306 . . . . 0.0 110.442 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.7 mp -75.57 -22.19 57.21 Favored 'General case' 0 CA--C 1.475 -1.926 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -177.471 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -66.89 -44.97 79.43 Favored 'General case' 0 N--CA 1.402 -2.85 0 C-N-CA 119.24 -0.984 . . . . 0.0 109.738 174.521 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 18.0 m -65.21 -29.94 70.79 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.093 177.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.0 -52.13 65.24 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.616 176.105 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.524 HD21 ' HA ' ' A' ' 20' ' ' LEU . 54.9 tp -58.67 -43.76 89.97 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 116.719 -0.219 . . . . 0.0 110.513 176.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.437 ' HA ' ' CD2' ' B' ' 15' ' ' LEU . . . -54.68 -53.89 48.89 Favored 'General case' 0 N--CA 1.447 -0.582 0 O-C-N 123.88 0.738 . . . . 0.0 111.076 -179.619 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -67.09 -46.43 74.26 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.069 -179.141 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt -60.99 -42.89 99.29 Favored 'General case' 0 C--O 1.212 -0.913 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -178.44 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.431 ' HA ' ' CA ' ' A' ' 14' ' ' GLY . 13.5 t -77.02 -24.97 52.11 Favored 'General case' 0 C--N 1.299 -1.612 0 CA-C-O 121.234 0.54 . . . . 0.0 109.82 -178.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.6 t -70.98 -36.11 72.37 Favored 'General case' 0 N--CA 1.438 -1.038 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 178.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 73.1 m80 -92.84 -68.36 0.8 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.17 -0.468 . . . . 0.0 112.218 179.611 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 19.8 m -88.88 -47.8 15.04 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.987 0 N-CA-C 112.653 0.612 . . . . 0.0 112.653 -176.136 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.431 ' CA ' ' HA ' ' A' ' 10' ' ' CYS . . . 133.86 174.71 13.62 Favored Glycine 0 C--N 1.286 -2.217 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 178.219 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.4 p -144.78 152.27 40.08 Favored 'General case' 0 C--N 1.292 -1.935 0 CA-C-O 121.093 0.473 . . . . 0.0 111.296 -177.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.532 ' O ' HD12 ' A' ' 20' ' ' LEU . 20.8 p -82.6 153.19 25.58 Favored 'General case' 0 N--CA 1.409 -2.511 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 176.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.672 ' HB2' ' HB3' ' B' ' 6' ' ' GLU . 10.3 tptm -62.48 -32.72 73.66 Favored 'General case' 0 C--N 1.28 -2.433 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.775 -176.139 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.624 ' HD3' ' SD ' ' B' ' 4' ' ' MET . 65.1 mtm180 -65.29 -26.83 68.24 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-O 120.868 0.366 . . . . 0.0 111.516 172.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.445 ' O ' ' HD1' ' A' ' 23' ' ' PHE . 32.0 t -73.83 -43.21 59.45 Favored 'General case' 0 N--CA 1.43 -1.45 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 -176.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.642 ' HB3' ' HG2' ' B' ' 19' ' ' GLN . 1.6 mp -71.08 -35.66 71.95 Favored 'General case' 0 CA--C 1.505 -0.771 0 C-N-CA 119.073 -1.051 . . . . 0.0 108.881 177.298 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.549 ' HB2' HG21 ' B' ' 22' ' ' ILE . . . -61.78 -33.52 74.24 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 114.894 -1.048 . . . . 0.0 112.487 -177.64 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -85.25 -8.72 58.4 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 112.192 0.441 . . . . 0.0 112.192 -176.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.445 ' HD1' ' O ' ' A' ' 19' ' ' SER . 72.0 m-85 -106.4 -57.25 2.08 Favored 'General case' 0 CA--C 1.497 -1.075 0 CA-C-O 120.791 0.329 . . . . 0.0 110.294 176.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.6 t 63.45 -85.24 0.02 OUTLIER 'General case' 0 C--N 1.309 -1.182 0 C-N-CA 125.276 1.43 . . . . 0.0 112.038 178.174 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.877 0 O-C-N 121.509 -0.744 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' ASP . . . . . 0.523 ' O ' ' HG2' ' B' ' 4' ' ' MET . 13.1 p-10 . . . . . 0 C--O 1.193 -1.871 0 N-CA-C 111.607 0.225 . . . . 0.0 111.607 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 8.3 m -60.82 -21.68 63.42 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-O 122.377 1.084 . . . . 0.0 113.033 -177.277 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' TRP . . . . . . . . . . . . . 27.8 p-90 -93.12 -8.85 41.46 Favored 'General case' 0 C--N 1.27 -2.878 0 CA-C-N 113.559 -1.655 . . . . 0.0 112.526 -178.354 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' MET . . . . . 0.523 ' HG2' ' O ' ' B' ' 1' ' ' ASP . 25.3 ptt? -74.82 -33.63 62.21 Favored 'General case' 0 CA--C 1.509 -0.624 0 N-CA-C 112.773 0.656 . . . . 0.0 112.773 -169.346 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -87.81 102.02 14.27 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 105.481 -2.044 . . . . 0.0 105.481 177.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.617 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 27.9 tt0 -172.13 156.51 3.99 Favored 'General case' 0 N--CA 1.429 -1.505 0 N-CA-C 107.516 -1.29 . . . . 0.0 107.516 -178.187 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 8.5 p -141.41 128.48 20.91 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.316 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 178.315 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 23.9 pt -127.95 171.85 15.56 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.012 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 -177.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' LYS . . . . . 0.4 ' HE3' ' O ' ' A' ' 12' ' ' HIS . 88.4 tttt -134.75 82.28 1.95 Allowed 'General case' 0 C--N 1.291 -1.97 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 177.669 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.468 HD23 ' HB3' ' B' ' 14' ' ' GLU . 9.8 mp -118.96 175.59 5.69 Favored 'General case' 0 C--N 1.299 -1.609 0 CA-C-N 115.131 -0.941 . . . . 0.0 109.612 -179.004 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 35.0 m -144.48 160.8 40.49 Favored 'General case' 0 C--N 1.287 -2.128 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.181 -178.283 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 42.82 -116.42 1.22 Allowed Glycine 0 C--N 1.335 0.487 0 N-CA-C 116.678 1.431 . . . . 0.0 116.678 173.056 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -68.81 -25.11 64.51 Favored 'General case' 0 C--N 1.291 -1.936 0 CA-C-N 113.39 -1.405 . . . . 0.0 112.025 -174.115 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' GLU . . . . . 0.468 ' HB3' HD23 ' B' ' 10' ' ' LEU . 42.2 mt-10 -77.83 -29.69 50.73 Favored 'General case' 0 N--CA 1.44 -0.968 0 C-N-CA 120.575 -0.45 . . . . 0.0 109.945 179.701 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.51 ' CD1' ' HA ' ' A' ' 7' ' ' ALA . 95.8 mt -64.0 -41.4 97.5 Favored 'General case' 0 CA--C 1.501 -0.913 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.013 173.748 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 55.1 t -65.34 -41.69 91.9 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.719 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.269 178.452 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 19.8 mmm180 -59.54 -41.25 89.65 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 111.96 0.355 . . . . 0.0 111.96 176.289 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' ALA . . . . . 0.454 ' O ' HG13 ' B' ' 22' ' ' ILE . . . -66.93 -44.97 79.28 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.709 178.589 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 19' ' ' GLN . . . . . 0.453 ' HB3' ' HA ' ' A' ' 24' ' ' CYS . 87.1 mt-30 -54.43 -54.27 43.02 Favored 'General case' 0 C--O 1.24 0.592 0 C-N-CA 124.048 0.939 . . . . 0.0 110.999 176.066 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 80.9 mt -56.57 -43.03 77.55 Favored 'Isoleucine or valine' 0 C--O 1.251 1.165 0 CA-C-N 114.918 -1.037 . . . . 0.0 110.753 177.621 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' ALA . . . . . 0.411 ' O ' ' HG2' ' B' ' 25' ' ' MET . . . -62.47 -44.1 97.22 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.703 179.074 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.454 HG13 ' O ' ' B' ' 18' ' ' ALA . 74.3 mt -56.01 -46.12 80.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 124.392 1.077 . . . . 0.0 111.669 178.551 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 34.5 m -74.4 -22.53 59.13 Favored 'General case' 0 C--N 1.304 -1.382 0 CA-C-O 121.523 0.678 . . . . 0.0 111.631 -178.271 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -89.65 7.85 81.02 Favored Glycine 0 C--N 1.293 -1.851 0 CA-C-N 115.331 -0.849 . . . . 0.0 112.069 173.683 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' MET . . . . . 0.411 ' HG2' ' O ' ' B' ' 21' ' ' ALA . 13.9 mmt -103.14 35.19 2.62 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.398 0.679 . . . . 0.0 111.834 -179.432 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 23.3 t -80.93 17.4 1.21 Allowed 'General case' 0 C--N 1.308 -1.211 0 CA-C-O 121.305 0.574 . . . . 0.0 110.537 -177.536 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 4.5 m -85.68 -19.14 31.36 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 122.476 1.132 . . . . 0.0 109.837 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' TRP . . . . . . . . . . . . . 75.7 m95 -95.81 118.54 32.65 Favored 'General case' 0 C--N 1.274 -2.683 0 CA-C-N 114.072 -1.422 . . . . 0.0 108.108 -177.511 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 30.8 m -145.05 76.68 1.5 Allowed 'General case' 0 C--N 1.287 -2.124 0 CA-C-O 121.247 0.546 . . . . 0.0 109.96 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.302 0 CA-C-N 116.025 -0.534 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.773 0 CA-C-O 122.628 1.204 . . . . 0.0 109.494 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 82.1 mt -72.88 -33.27 65.94 Favored 'General case' 0 C--N 1.291 -1.946 0 CA-C-N 113.606 -1.634 . . . . 0.0 111.541 -175.154 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 59.6 m-85 -68.11 -46.29 71.31 Favored 'General case' 0 CA--C 1.506 -0.74 0 CA-C-O 121.271 0.558 . . . . 0.0 109.641 176.076 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 9.0 m -57.29 -40.31 77.53 Favored 'General case' 0 C--N 1.304 -1.381 0 CA-C-N 114.551 -1.204 . . . . 0.0 110.685 176.324 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.28 -54.36 47.87 Favored 'General case' 0 N--CA 1.449 -0.481 0 O-C-N 123.727 0.642 . . . . 0.0 110.155 177.084 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 64.8 tp -58.07 -44.11 87.34 Favored 'General case' 0 C--O 1.235 0.323 0 O-C-N 123.293 0.371 . . . . 0.0 110.646 178.339 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.51 ' HA ' ' CD1' ' B' ' 15' ' ' LEU . . . -56.07 -52.09 65.52 Favored 'General case' 0 N--CA 1.451 -0.403 0 O-C-N 123.928 0.768 . . . . 0.0 111.301 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -68.64 -45.94 70.51 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.102 -178.354 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 60.6 mtpt -60.41 -45.5 93.37 Favored 'General case' 0 C--N 1.312 -1.046 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 -178.521 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.485 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 11.5 t -73.48 -28.45 61.94 Favored 'General case' 0 C--N 1.304 -1.395 0 C-N-CA 120.766 -0.373 . . . . 0.0 110.309 -178.605 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 8.7 t -75.66 -32.73 60.29 Favored 'General case' 0 N--CA 1.432 -1.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.194 -178.406 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.4 ' O ' ' HE3' ' B' ' 9' ' ' LYS . 59.6 m80 -88.07 -61.0 1.81 Allowed 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.613 -0.435 . . . . 0.0 111.703 179.388 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 19.7 m -101.18 -47.84 11.44 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.128 0 CA-C-O 121.404 0.621 . . . . 0.0 112.344 -176.671 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.485 ' C ' ' HA ' ' A' ' 10' ' ' CYS . . . 139.04 173.7 13.14 Favored Glycine 0 C--N 1.282 -2.441 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 178.302 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.522 ' SG ' HD11 ' A' ' 20' ' ' LEU . 22.8 p -139.49 152.54 47.05 Favored 'General case' 0 C--N 1.285 -2.226 0 CA-C-O 121.404 0.621 . . . . 0.0 111.446 -177.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.505 ' O ' HD12 ' A' ' 20' ' ' LEU . 3.3 p -86.66 145.16 26.82 Favored 'General case' 0 N--CA 1.397 -3.119 0 CA-C-N 114.843 -1.071 . . . . 0.0 108.894 177.703 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.617 ' HB2' ' HB3' ' B' ' 6' ' ' GLU . 12.8 tptm -63.37 -30.58 71.69 Favored 'General case' 0 C--N 1.293 -1.883 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.441 -175.442 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.3 mmm180 -65.57 -25.0 67.22 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-O 121.095 0.474 . . . . 0.0 110.673 174.097 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.491 ' HB3' ' O ' ' A' ' 16' ' ' THR . 47.8 t -76.81 -45.12 29.87 Favored 'General case' 0 N--CA 1.434 -1.261 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.708 -178.641 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.542 ' H ' HD12 ' A' ' 20' ' ' LEU . 1.7 mp -70.26 -29.52 66.34 Favored 'General case' 0 CA--C 1.494 -1.176 0 C-N-CA 119.037 -1.065 . . . . 0.0 108.993 178.138 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.03 -37.8 88.8 Favored 'General case' 0 C--N 1.309 -1.167 0 O-C-N 124.109 0.881 . . . . 0.0 110.479 177.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.6 tpm_? -63.53 -28.63 70.08 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.572 0.701 . . . . 0.0 111.023 179.587 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -97.22 -58.56 1.99 Allowed 'General case' 0 C--N 1.297 -1.679 0 CA-C-N 116.14 -0.482 . . . . 0.0 112.035 179.586 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.453 ' HA ' ' HB3' ' B' ' 19' ' ' GLN . 47.1 t 50.34 -104.58 0.16 Allowed 'General case' 0 C--N 1.305 -1.357 0 C-N-CA 125.224 1.409 . . . . 0.0 112.079 -178.466 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.71 0 O-C-N 121.244 -0.91 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 . . . . . 0 N--CA 1.474 0.75 0 N-CA-C 111.239 0.089 . . . . 0.0 111.239 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' SER . . . . . 0.537 ' O ' ' HB2' ' B' ' 6' ' ' GLU . 7.5 p -50.79 117.06 2.25 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.559 0.744 . . . . 0.0 111.088 177.601 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 3' ' ' TRP . . . . . 0.5 ' O ' ' HG2' ' A' ' 18' ' ' ARG . 85.2 m95 -81.27 -41.29 22.41 Favored 'General case' 0 C--N 1.297 -1.709 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -172.25 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 20.2 mmt -75.06 -31.71 61.32 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-O 121.277 0.561 . . . . 0.0 110.278 -173.645 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -135.11 98.64 4.04 Favored 'General case' 0 N--CA 1.417 -2.09 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.456 176.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.571 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 22.3 tt0 -157.84 148.49 20.86 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 105.077 -2.194 . . . . 0.0 105.077 171.227 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.68 134.8 13.75 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.474 0 O-C-N 123.671 0.607 . . . . 0.0 109.545 -176.338 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -135.93 166.24 27.62 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.638 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -124.05 84.92 2.34 Favored 'General case' 0 C--N 1.311 -1.103 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 177.322 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 10.9 mp -117.03 175.79 5.43 Favored 'General case' 0 C--N 1.294 -1.835 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.942 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 38.2 t -158.45 166.43 32.22 Favored 'General case' 0 C--N 1.282 -2.348 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 -178.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 45.2 -125.2 6.76 Favored Glycine 0 C--O 1.266 2.15 0 O-C-N 124.671 1.232 . . . . 0.0 115.759 177.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' B' ' 13' ' ' ARG . 18.7 ptt180 -65.22 -23.55 67.1 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 114.174 -1.013 . . . . 0.0 111.188 -178.233 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 14' ' ' GLU . . . . . 0.409 ' O ' ' HB2' ' B' ' 17' ' ' ARG . 45.8 mt-10 -72.21 -34.87 68.7 Favored 'General case' 0 N--CA 1.439 -1.001 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 -178.27 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.407 ' CD1' ' HA ' ' A' ' 7' ' ' ALA . 95.5 mt -62.91 -41.98 99.64 Favored 'General case' 0 CA--C 1.489 -1.377 0 N-CA-C 108.658 -0.868 . . . . 0.0 108.658 174.737 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 25.3 t -64.66 -39.65 86.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.704 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' ARG . . . . . 0.47 ' HA ' ' NE ' ' B' ' 17' ' ' ARG . 2.7 mmp_? -53.67 -50.35 65.99 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.601 175.153 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 18' ' ' ALA . . . . . 0.618 ' O ' HG13 ' B' ' 22' ' ' ILE . . . -65.93 -50.08 65.69 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 114.927 -1.033 . . . . 0.0 110.944 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 19' ' ' GLN . . . . . 0.492 ' HG2' ' HB3' ' A' ' 20' ' ' LEU . 94.6 mt-30 -51.67 -55.79 17.4 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 124.208 1.003 . . . . 0.0 111.705 -179.766 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 79.9 mt -59.36 -37.94 72.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.586 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.34 -35.81 82.07 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.185 0.516 . . . . 0.0 110.148 177.642 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.618 HG13 ' O ' ' B' ' 18' ' ' ALA . 64.3 mt -70.7 -47.27 64.92 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.728 177.165 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 23' ' ' CYS . . . . . 0.524 ' HA ' ' OG ' ' B' ' 26' ' ' SER . 61.9 m -74.81 -23.82 58.53 Favored 'General case' 0 C--N 1.307 -1.262 0 N-CA-C 113.928 1.084 . . . . 0.0 113.928 -173.346 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.92 -4.68 84.45 Favored Glycine 0 C--N 1.283 -2.401 0 C-N-CA 120.677 -0.773 . . . . 0.0 111.445 175.008 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 65.8 mtt -133.93 33.4 3.43 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 121.651 0.739 . . . . 0.0 109.097 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' SER . . . . . 0.524 ' OG ' ' HA ' ' B' ' 23' ' ' CYS . 68.2 m -79.04 76.24 5.54 Favored 'General case' 0 N--CA 1.43 -1.456 0 CA-C-O 122.152 0.977 . . . . 0.0 111.796 -177.491 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 17.6 m -80.22 -31.28 38.62 Favored 'General case' 0 C--N 1.297 -1.685 0 CA-C-N 114.135 -1.393 . . . . 0.0 108.428 173.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' TRP . . . . . . . . . . . . . 82.1 m95 -113.99 99.77 7.91 Favored 'General case' 0 C--N 1.28 -2.44 0 CA-C-N 113.148 -1.842 . . . . 0.0 109.178 -179.123 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 50.9 m -122.07 88.34 2.92 Favored 'General case' 0 C--N 1.301 -1.535 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.872 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.31 -1.148 0 CA-C-N 116.374 -0.375 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.514 -0.44 0 CA-C-O 122.366 1.079 . . . . 0.0 109.504 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 24.4 tp -73.99 -22.66 59.52 Favored 'General case' 0 C--N 1.301 -1.503 0 CA-C-N 113.983 -1.462 . . . . 0.0 111.873 -175.613 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -75.77 -43.57 45.9 Favored 'General case' 0 N--CA 1.404 -2.732 0 C-N-CA 118.578 -1.249 . . . . 0.0 109.945 177.049 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.7 t -64.21 -31.72 73.03 Favored 'General case' 0 C--O 1.245 0.834 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 177.51 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.65 -50.33 67.49 Favored 'General case' 0 C--O 1.213 -0.818 0 CA-C-N 115.353 -0.839 . . . . 0.0 110.877 177.228 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.528 HD21 ' HA ' ' A' ' 20' ' ' LEU . 54.5 tp -52.94 -44.45 67.06 Favored 'General case' 0 N--CA 1.488 1.444 0 CA-C-O 120.912 0.387 . . . . 0.0 110.35 178.696 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.407 ' HA ' ' CD1' ' B' ' 15' ' ' LEU . . . -57.74 -51.29 70.15 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 114.7 -1.136 . . . . 0.0 110.352 178.668 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -61.15 -48.33 82.09 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.807 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp -59.03 -49.94 75.97 Favored 'General case' 0 C--N 1.308 -1.213 0 C-N-CA 123.85 0.86 . . . . 0.0 112.694 -177.639 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.454 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 7.5 t -71.18 -26.59 63.04 Favored 'General case' 0 C--N 1.302 -1.48 0 CA-C-O 121.327 0.584 . . . . 0.0 110.291 -176.539 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.4 t -75.36 -25.62 57.88 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.582 -178.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 32.5 m80 -101.92 -58.47 1.87 Allowed 'General case' 0 CA--C 1.515 -0.37 0 N-CA-C 112.978 0.732 . . . . 0.0 112.978 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 19.0 m -104.19 -44.54 9.04 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 -177.123 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.454 ' C ' ' HA ' ' A' ' 10' ' ' CYS . . . 137.47 176.22 14.3 Favored Glycine 0 C--N 1.293 -1.859 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 177.411 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.481 ' SG ' HD11 ' A' ' 20' ' ' LEU . 20.8 p -142.76 155.02 44.78 Favored 'General case' 0 C--N 1.298 -1.661 0 CA-C-O 121.022 0.439 . . . . 0.0 111.714 -177.851 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.54 ' O ' HD12 ' A' ' 20' ' ' LEU . 10.8 p -89.94 144.89 25.54 Favored 'General case' 0 N--CA 1.415 -2.176 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.154 177.35 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.571 ' HB2' ' HB3' ' B' ' 6' ' ' GLU . 13.7 tptm -59.3 -41.38 88.85 Favored 'General case' 0 C--N 1.289 -2.059 0 C-N-CA 123.787 0.835 . . . . 0.0 112.53 -172.765 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.5 ' HG2' ' O ' ' B' ' 3' ' ' TRP . 23.0 mmm180 -68.86 -20.78 64.29 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 120.351 -0.54 . . . . 0.0 111.782 175.552 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.7 t -73.29 -38.45 65.88 Favored 'General case' 0 C--N 1.31 -1.148 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.54 HD12 ' O ' ' A' ' 16' ' ' THR . 2.1 mp -72.75 -36.9 67.82 Favored 'General case' 0 CA--C 1.496 -1.127 0 C-N-CA 118.737 -1.185 . . . . 0.0 108.486 175.028 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.504 ' HB2' HG21 ' B' ' 22' ' ' ILE . . . -59.02 -35.72 73.75 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 114.828 -1.078 . . . . 0.0 113.092 -178.297 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 -81.76 -5.69 58.39 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -176.225 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -118.62 -65.28 1.19 Allowed 'General case' 0 C--N 1.308 -1.214 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 176.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 17.3 t 58.46 -108.16 0.4 Allowed 'General case' 0 C--N 1.301 -1.533 0 CA-C-N 114.422 -1.263 . . . . 0.0 110.785 175.432 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.795 0 O-C-N 121.441 -0.787 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 13.2 t70 . . . . . 0 N--CA 1.471 0.598 0 CA-C-O 120.538 0.209 . . . . 0.0 110.457 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' SER . . . . . 0.508 ' O ' ' HG2' ' B' ' 6' ' ' GLU . 4.8 m -68.56 131.64 45.59 Favored 'General case' 0 C--N 1.312 -1.027 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 179.49 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 3' ' ' TRP . . . . . 0.49 ' O ' ' HD3' ' A' ' 18' ' ' ARG . 85.3 m95 -84.7 -7.0 59.38 Favored 'General case' 0 C--N 1.283 -2.285 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 -167.508 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 54.3 tpp -65.12 -41.92 94.42 Favored 'General case' 0 C--N 1.306 -1.309 0 CA-C-N 116.629 -0.259 . . . . 0.0 111.351 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.436 ' O ' ' HG2' ' A' ' 18' ' ' ARG . 22.6 mm-40 -116.79 -89.59 0.57 Allowed 'General case' 0 C--N 1.307 -1.249 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -177.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.508 ' HG2' ' O ' ' B' ' 2' ' ' SER . 8.1 mm-40 64.69 122.9 0.02 OUTLIER 'General case' 0 C--O 1.215 -0.754 0 C-N-CA 125.004 1.322 . . . . 0.0 112.477 -177.74 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.7 p -131.9 123.98 52.46 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.163 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 176.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.461 ' HB ' HD13 ' B' ' 10' ' ' LEU . 26.1 pt -121.0 162.14 20.12 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.6 0 CA-C-O 121.167 0.508 . . . . 0.0 110.493 -176.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 58.4 mtpt -139.32 63.26 1.51 Allowed 'General case' 0 C--N 1.295 -1.795 0 CA-C-N 114.684 -1.143 . . . . 0.0 108.62 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.461 HD13 ' HB ' ' B' ' 8' ' ' ILE . 7.5 mp -102.64 175.59 5.45 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.134 -177.628 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 64.3 m -149.79 165.1 33.5 Favored 'General case' 0 C--N 1.297 -1.681 0 O-C-N 123.756 0.66 . . . . 0.0 109.73 -178.545 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 51.32 -129.44 32.64 Favored Glycine 0 C--O 1.248 1.005 0 O-C-N 123.894 0.746 . . . . 0.0 114.922 175.501 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 17.1 ptp180 -74.17 -10.31 59.48 Favored 'General case' 0 C--N 1.309 -1.179 0 CA-C-N 115.057 -0.572 . . . . 0.0 111.542 -178.445 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.94 -34.91 64.48 Favored 'General case' 0 N--CA 1.442 -0.874 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 174.012 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 88.7 mt -64.37 -41.52 96.68 Favored 'General case' 0 C--O 1.208 -1.114 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.327 175.354 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 46.4 t -66.16 -41.03 88.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.704 178.536 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 31.1 tpt180 -54.92 -57.19 12.62 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 177.307 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' ALA . . . . . 0.471 ' HB1' ' HE3' ' A' ' 17' ' ' LYS . . . -56.84 -45.4 82.41 Favored 'General case' 0 C--N 1.305 -1.353 0 CA-C-N 113.44 -1.709 . . . . 0.0 111.621 179.057 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 19' ' ' GLN . . . . . 0.526 ' HA ' HG22 ' B' ' 22' ' ' ILE . 36.7 mt-30 -64.37 -53.53 47.09 Favored 'General case' 0 C--O 1.198 -1.618 0 N-CA-C 112.594 0.59 . . . . 0.0 112.594 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 46.8 mm -57.27 -38.17 60.46 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.946 0 CA-C-O 121.313 0.578 . . . . 0.0 110.037 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.36 -48.41 73.06 Favored 'General case' 0 N--CA 1.437 -1.116 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.84 178.043 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.526 HG22 ' HA ' ' B' ' 19' ' ' GLN . 8.5 tp -70.7 -28.83 35.55 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.828 0 CA-C-O 121.011 0.434 . . . . 0.0 110.453 -178.631 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 4.4 t -76.0 -22.79 55.43 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.098 0.475 . . . . 0.0 110.056 -176.547 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -97.08 -7.95 57.03 Favored Glycine 0 N--CA 1.43 -1.727 0 C-N-CA 120.384 -0.912 . . . . 0.0 111.805 178.112 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 45.8 tpp -166.23 89.41 0.4 Allowed 'General case' 0 N--CA 1.443 -0.801 0 CA-C-O 121.207 0.527 . . . . 0.0 109.895 -177.305 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 14.6 m -96.61 -1.12 47.49 Favored 'General case' 0 C--N 1.307 -1.24 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.2 177.587 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 8.1 p -110.25 -174.06 2.4 Favored 'General case' 0 N--CA 1.393 -3.324 0 CA-C-N 114.934 -1.03 . . . . 0.0 111.365 -173.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' TRP . . . . . 0.432 ' HA ' ' CD1' ' B' ' 3' ' ' TRP . 29.2 m-90 -84.47 85.56 7.39 Favored 'General case' 0 C--N 1.285 -2.232 0 N-CA-C 114.386 1.254 . . . . 0.0 114.386 -169.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 53.2 m -149.96 97.03 2.53 Favored 'General case' 0 C--N 1.301 -1.51 0 CA-C-N 114.577 -1.192 . . . . 0.0 109.013 174.414 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.381 0 CA-C-N 116.413 -0.358 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.776 0 N-CA-C 111.33 0.122 . . . . 0.0 111.33 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.465 HD12 ' N ' ' A' ' 3' ' ' TYR . 2.7 pp -64.15 -30.41 71.47 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 112.84 0.681 . . . . 0.0 112.84 -177.509 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.465 ' N ' HD12 ' A' ' 2' ' ' LEU . 35.3 m-85 -70.18 -50.73 37.3 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-O 121.078 0.466 . . . . 0.0 110.201 177.178 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 18.2 m -60.37 -35.17 75.07 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.793 178.677 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.28 -52.07 66.84 Favored 'General case' 0 C--O 1.243 0.761 0 CA-C-O 121.11 0.481 . . . . 0.0 109.755 176.276 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.409 ' HG ' ' SG ' ' A' ' 10' ' ' CYS . 51.1 tp -61.6 -38.19 86.68 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.219 -0.9 . . . . 0.0 109.809 178.557 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.22 -44.88 72.07 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.775 179.264 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 54.8 m-80 -62.67 -48.08 80.87 Favored 'General case' 0 CA--C 1.502 -0.899 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 177.453 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 59.0 mtpt -59.18 -47.84 83.83 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-N 115.193 -0.912 . . . . 0.0 112.429 -176.483 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.409 ' SG ' ' HG ' ' A' ' 6' ' ' LEU . 38.3 m -69.33 -28.03 65.88 Favored 'General case' 0 C--N 1.308 -1.228 0 O-C-N 122.213 -0.304 . . . . 0.0 110.989 -179.688 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 42.9 t -79.22 -37.34 38.36 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-O 121.223 0.535 . . . . 0.0 110.588 -178.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 62.1 m80 -86.23 -50.43 6.97 Favored 'General case' 0 C--N 1.31 -1.125 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -177.194 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.0 m -112.95 -46.1 5.23 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.806 0 CA-C-O 121.237 0.542 . . . . 0.0 112.394 -178.394 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 122.67 164.88 12.26 Favored Glycine 0 C--N 1.286 -2.214 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 178.381 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.5 p -150.92 164.49 36.2 Favored 'General case' 0 C--N 1.289 -2.053 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 -176.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.488 ' O ' HD12 ' A' ' 20' ' ' LEU . 38.3 p -78.46 151.67 32.51 Favored 'General case' 0 N--CA 1.397 -3.077 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 176.807 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.471 ' HE3' ' HB1' ' B' ' 18' ' ' ALA . 18.4 tptm -67.24 -25.22 65.98 Favored 'General case' 0 C--N 1.287 -2.134 0 N-CA-C 106.979 -1.489 . . . . 0.0 106.979 177.761 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.49 ' HD3' ' O ' ' B' ' 3' ' ' TRP . 45.0 mmm-85 -66.07 -30.36 70.87 Favored 'General case' 0 C--N 1.339 0.129 0 CA-C-N 114.891 -1.05 . . . . 0.0 109.242 173.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.9 t -73.11 -37.68 66.6 Favored 'General case' 0 N--CA 1.426 -1.666 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.543 -178.258 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.531 ' H ' HD12 ' A' ' 20' ' ' LEU . 0.8 OUTLIER -75.94 -31.91 59.32 Favored 'General case' 0 C--O 1.212 -0.881 0 C-N-CA 118.366 -1.333 . . . . 0.0 108.65 174.027 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.6 -34.68 74.58 Favored 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 32.1 ptt180 -75.02 -21.01 59.36 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 120.732 0.301 . . . . 0.0 111.691 179.5 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -97.0 -46.57 6.14 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.433 0.635 . . . . 0.0 110.101 179.107 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 49.7 t -170.04 88.53 0.15 Allowed 'General case' 0 C--N 1.293 -1.872 0 N-CA-C 106.795 -1.557 . . . . 0.0 106.795 174.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.314 -0.949 0 CA-C-N 116.175 -0.466 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' ASP . . . . . 0.584 ' O ' ' HG2' ' B' ' 4' ' ' MET . 1.9 m-20 . . . . . 0 N--CA 1.477 0.909 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -59.25 -25.79 64.35 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-O 122.293 1.044 . . . . 0.0 112.243 -176.203 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' TRP . . . . . 0.486 ' O ' ' HG2' ' A' ' 17' ' ' LYS . 41.1 p-90 -83.5 -18.46 38.4 Favored 'General case' 0 C--N 1.27 -2.874 0 CA-C-N 113.918 -1.492 . . . . 0.0 112.485 -178.54 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 4' ' ' MET . . . . . 0.584 ' HG2' ' O ' ' B' ' 1' ' ' ASP . 23.4 ptt? -78.03 -24.81 47.7 Favored 'General case' 0 CA--C 1.499 -1.006 0 C-N-CA 119.656 -0.818 . . . . 0.0 111.69 -171.661 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -84.64 82.86 8.23 Favored 'General case' 0 N--CA 1.43 -1.47 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 177.216 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.546 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 8.7 tp10 -157.63 163.3 38.41 Favored 'General case' 0 N--CA 1.421 -1.891 0 CA-C-N 115.003 -0.999 . . . . 0.0 108.382 -174.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.1 p -137.32 124.0 28.86 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.251 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 176.498 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 22.2 pt -125.71 171.95 13.78 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.867 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 -178.292 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -136.53 77.28 1.64 Allowed 'General case' 0 C--N 1.284 -2.261 0 CA-C-O 121.683 0.754 . . . . 0.0 109.385 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 10.8 mp -107.71 171.39 7.42 Favored 'General case' 0 CA--C 1.475 -1.94 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.234 179.567 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 53.1 t -161.21 163.35 31.17 Favored 'General case' 0 C--N 1.286 -2.182 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.736 -175.619 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 54.85 -129.16 44.7 Favored Glycine 0 C--O 1.251 1.184 0 O-C-N 124.843 1.34 . . . . 0.0 113.068 179.406 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 75.3 mtm180 -67.67 -32.83 73.77 Favored 'General case' 0 C--N 1.299 -1.599 0 CA-C-N 114.539 -0.831 . . . . 0.0 111.634 -178.091 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -68.5 -34.03 75.18 Favored 'General case' 0 CA--C 1.488 -1.425 0 C-N-CA 120.374 -0.531 . . . . 0.0 110.339 -177.692 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.5 ' CD2' ' HA ' ' A' ' 7' ' ' ALA . 28.2 tp -66.8 -40.49 88.13 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-N 115.089 -0.959 . . . . 0.0 109.242 179.528 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 16' ' ' VAL . . . . . 0.427 ' O ' HG12 ' B' ' 20' ' ' ILE . 57.4 t -68.19 -40.45 82.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.333 176.821 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 75.9 mtp180 -57.76 -46.62 84.28 Favored 'General case' 0 CA--C 1.514 -0.442 0 C-N-CA 122.731 0.412 . . . . 0.0 110.781 176.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' ALA . . . . . 0.575 ' O ' HG12 ' B' ' 22' ' ' ILE . . . -61.96 -45.85 91.87 Favored 'General case' 0 C--N 1.315 -0.91 0 O-C-N 123.878 0.736 . . . . 0.0 110.037 177.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 19' ' ' GLN . . . . . 0.559 ' HG2' ' HB3' ' A' ' 20' ' ' LEU . 82.1 mt-30 -55.62 -53.51 55.59 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 123.269 0.628 . . . . 0.0 111.476 177.02 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 20' ' ' ILE . . . . . 0.427 HG12 ' O ' ' B' ' 16' ' ' VAL . 48.6 mm -58.93 -37.29 66.35 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.769 177.575 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.25 -40.19 96.74 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.425 178.358 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.575 HG12 ' O ' ' B' ' 18' ' ' ALA . 45.2 mm -59.87 -54.36 35.72 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.686 0 O-C-N 123.779 0.674 . . . . 0.0 109.538 177.188 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 77.9 m -74.68 -24.4 58.78 Favored 'General case' 0 C--N 1.304 -1.389 0 CA-C-N 115.27 -0.877 . . . . 0.0 112.018 -171.631 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.91 -21.24 59.68 Favored Glycine 0 C--N 1.279 -2.603 0 CA-C-N 115.107 -0.951 . . . . 0.0 112.235 176.104 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 41.8 tpp -148.44 79.67 1.44 Allowed 'General case' 0 N--CA 1.428 -1.542 0 CA-C-O 122.056 0.931 . . . . 0.0 111.825 -178.267 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 43.7 m -102.57 -0.13 32.54 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-N 114.867 -1.06 . . . . 0.0 109.399 173.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 3.1 m -85.5 -12.94 50.57 Favored 'General case' 0 C--N 1.288 -2.074 0 CA-C-O 122.672 1.225 . . . . 0.0 110.163 -176.541 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' TRP . . . . . . . . . . . . . 66.2 t-105 -71.73 138.45 48.5 Favored 'General case' 0 C--N 1.275 -2.651 0 CA-C-N 113.824 -1.534 . . . . 0.0 109.262 178.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 15.5 m -66.15 -69.34 0.31 Allowed 'General case' 0 C--N 1.315 -0.931 0 O-C-N 123.213 0.32 . . . . 0.0 110.566 179.387 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.87 0 O-C-N 122.345 -0.222 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.985 0 CA-C-O 122.025 0.917 . . . . 0.0 110.096 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.479 ' HB3' ' CE1' ' A' ' 23' ' ' PHE . 98.2 mt -62.69 -43.54 98.54 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-N 113.557 -1.656 . . . . 0.0 111.408 -177.162 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -72.7 -46.81 51.77 Favored 'General case' 0 C--N 1.306 -1.308 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.674 179.602 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 17.9 m -53.93 -43.85 70.14 Favored 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 114.875 -1.057 . . . . 0.0 111.559 177.475 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.38 -45.72 93.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.866 0.365 . . . . 0.0 110.255 178.571 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 44.7 tp -63.67 -43.35 96.95 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.152 178.144 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.5 ' HA ' ' CD2' ' B' ' 15' ' ' LEU . . . -56.76 -46.84 81.19 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.18 -179.552 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -70.58 -44.79 66.63 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.852 179.206 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 58.2 tttp -60.12 -48.13 82.99 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.654 -0.248 . . . . 0.0 111.549 -177.556 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.506 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 6.3 t -70.1 -30.0 67.1 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-O 120.846 0.355 . . . . 0.0 110.252 -177.485 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 22.7 t -72.97 -39.66 65.94 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.909 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 52.9 m80 -81.26 -55.55 4.65 Favored 'General case' 0 CA--C 1.512 -0.495 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -178.065 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 19.1 m -112.04 -51.58 5.79 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.483 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 -177.563 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.506 ' C ' ' HA ' ' A' ' 10' ' ' CYS . . . 149.15 170.54 16.9 Favored Glycine 0 C--N 1.296 -1.694 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.7 p -139.59 158.77 43.57 Favored 'General case' 0 C--N 1.292 -1.898 0 CA-C-O 120.927 0.394 . . . . 0.0 110.585 -178.438 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.561 ' O ' HD12 ' A' ' 20' ' ' LEU . 8.8 p -93.29 144.73 25.03 Favored 'General case' 0 N--CA 1.404 -2.746 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.348 178.45 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.546 ' HB2' ' HB3' ' B' ' 6' ' ' GLU . 37.3 tptt -61.63 -35.8 78.96 Favored 'General case' 0 C--N 1.299 -1.594 0 C-N-CA 124.065 0.946 . . . . 0.0 109.534 -175.831 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.439 ' HG3' ' O ' ' B' ' 4' ' ' MET . 71.8 mtm180 -65.21 -27.7 68.87 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-O 121.018 0.437 . . . . 0.0 109.976 174.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.456 ' O ' ' HG2' ' A' ' 22' ' ' ARG . 16.1 t -76.81 -40.39 48.2 Favored 'General case' 0 N--CA 1.414 -2.24 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.003 -176.729 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.561 HD12 ' O ' ' A' ' 16' ' ' THR . 0.7 OUTLIER -69.49 -29.89 67.63 Favored 'General case' 0 CA--C 1.506 -0.725 0 C-N-CA 118.151 -1.42 . . . . 0.0 108.349 175.62 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.489 ' HA ' HG21 ' B' ' 22' ' ' ILE . . . -68.14 -36.16 79.24 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 115.135 -0.939 . . . . 0.0 112.448 178.818 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.456 ' HG2' ' O ' ' A' ' 19' ' ' SER . 20.6 ptt180 -77.02 -21.97 53.77 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.06 0.457 . . . . 0.0 111.048 -177.702 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.479 ' CE1' ' HB3' ' A' ' 2' ' ' LEU . 57.4 m-85 -95.31 -45.09 7.29 Favored 'General case' 0 C--N 1.311 -1.104 0 C-N-CA 120.424 -0.511 . . . . 0.0 111.079 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 39.6 t 67.82 87.18 0.12 Allowed 'General case' 0 C--N 1.306 -1.3 0 O-C-N 124.654 1.221 . . . . 0.0 111.068 176.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.849 0 CA-C-N 116.109 -0.496 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 . . . . . 0 N--CA 1.485 1.316 0 N-CA-C 112.481 0.549 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 19.9 m -67.38 -12.57 60.55 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-O 122.48 1.133 . . . . 0.0 111.803 -178.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' TRP . . . . . . . . . . . . . 32.1 p-90 -80.96 -9.59 59.82 Favored 'General case' 0 C--N 1.284 -2.244 0 CA-C-N 114.149 -1.387 . . . . 0.0 110.255 176.146 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' MET . . . . . 0.465 ' O ' ' HB3' ' A' ' 17' ' ' LYS . 45.4 ttp -94.53 -31.29 13.98 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.53 -175.32 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -82.6 87.3 6.71 Favored 'General case' 0 C--N 1.312 -1.034 0 N-CA-C 105.401 -2.074 . . . . 0.0 105.401 170.44 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.546 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 31.2 tt0 -159.81 163.21 34.71 Favored 'General case' 0 N--CA 1.42 -1.937 0 N-CA-C 107.199 -1.408 . . . . 0.0 107.199 -171.317 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 6.7 p -140.2 128.66 25.83 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.366 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 177.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.476 ' H ' HD13 ' B' ' 8' ' ' ILE . 0.2 OUTLIER -131.4 165.05 32.7 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 -177.722 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -126.84 90.46 3.16 Favored 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 176.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 10.9 mp -119.95 175.36 5.94 Favored 'General case' 0 CA--C 1.485 -1.554 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.211 -178.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 56.7 m -152.47 163.19 40.04 Favored 'General case' 0 C--N 1.297 -1.709 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 -177.282 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 45.47 -122.1 5.28 Favored Glycine 0 CA--C 1.498 -0.972 0 O-C-N 124.635 1.21 . . . . 0.0 115.673 172.502 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.497 ' O ' ' HG2' ' B' ' 17' ' ' ARG . 55.7 ttp180 -62.82 -39.09 93.23 Favored 'General case' 0 C--N 1.304 -1.407 0 CA-C-N 114.155 -1.022 . . . . 0.0 110.75 -178.266 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -69.77 -31.66 69.73 Favored 'General case' 0 CA--C 1.499 -0.992 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 -175.467 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.557 ' O ' ' HG3' ' B' ' 19' ' ' GLN . 12.9 tp -68.15 -42.11 80.58 Favored 'General case' 0 N--CA 1.436 -1.152 0 CA-C-N 114.866 -1.061 . . . . 0.0 108.798 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 98.8 t -70.87 -36.56 64.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.535 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' ARG . . . . . 0.497 ' HG2' ' O ' ' B' ' 13' ' ' ARG . 12.1 mmt85 -59.66 -42.92 93.91 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.57 175.662 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 18' ' ' ALA . . . . . 0.472 ' O ' HG13 ' B' ' 22' ' ' ILE . . . -64.36 -44.84 90.17 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.571 177.602 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 19' ' ' GLN . . . . . 0.557 ' HG3' ' O ' ' B' ' 15' ' ' LEU . 94.4 mt-30 -54.67 -59.6 4.49 Favored 'General case' 0 C--O 1.22 -0.468 0 C-N-CA 124.215 1.006 . . . . 0.0 111.207 177.377 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 80.5 mt -53.79 -36.55 30.11 Favored 'Isoleucine or valine' 0 C--O 1.249 1.061 0 C-N-CA 124.024 0.929 . . . . 0.0 111.273 178.361 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.68 -26.9 65.53 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.451 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.472 HG13 ' O ' ' B' ' 18' ' ' ALA . 75.5 mt -88.52 -30.45 5.41 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.113 0 CA-C-O 121.278 0.561 . . . . 0.0 109.696 177.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 79.9 m -74.48 -24.6 59.04 Favored 'General case' 0 CA--C 1.508 -0.664 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.613 -176.555 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -111.96 -96.22 2.29 Favored Glycine 0 N--CA 1.413 -2.895 0 N-CA-C 107.118 -2.393 . . . . 0.0 107.118 170.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 15.2 tpt 179.09 92.29 0.02 OUTLIER 'General case' 0 C--N 1.298 -1.666 0 C-N-CA 124.183 0.993 . . . . 0.0 109.324 174.52 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 35.3 t -138.95 14.22 2.66 Favored 'General case' 0 C--N 1.283 -2.305 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 176.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 19.5 m -70.9 -35.22 72.2 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 122.894 1.33 . . . . 0.0 108.012 177.166 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' TRP . . . . . . . . . . . . . 95.7 m95 -154.53 178.53 9.97 Favored 'General case' 0 C--N 1.276 -2.589 0 CA-C-N 111.856 -2.429 . . . . 0.0 105.601 178.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 15.7 m -77.28 99.27 5.45 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 123.453 0.471 . . . . 0.0 110.054 179.542 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.31 -1.118 0 CA-C-N 116.665 -0.243 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.75 0 CA-C-O 121.961 0.886 . . . . 0.0 109.817 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 95.0 mt -66.71 -27.23 67.46 Favored 'General case' 0 C--N 1.294 -1.821 0 CA-C-N 113.961 -1.472 . . . . 0.0 113.165 -175.024 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -76.36 -40.18 51.81 Favored 'General case' 0 C--N 1.296 -1.739 0 C-N-CA 120.294 -0.562 . . . . 0.0 110.075 179.191 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 46.5 m -71.42 -37.6 71.47 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.419 176.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.02 -52.11 66.76 Favored 'General case' 0 C--O 1.209 -1.053 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.667 177.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 59.1 tp -56.93 -42.61 80.33 Favored 'General case' 0 C--N 1.33 -0.271 0 O-C-N 123.577 0.548 . . . . 0.0 110.41 178.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.462 ' HA ' ' CD2' ' B' ' 15' ' ' LEU . . . -57.98 -53.76 54.62 Favored 'General case' 0 C--O 1.246 0.904 0 CA-C-O 120.937 0.398 . . . . 0.0 111.007 179.405 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 40.7 m-80 -66.31 -55.93 13.65 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.677 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -54.55 -44.74 73.14 Favored 'General case' 0 C--N 1.311 -1.068 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 -175.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.482 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 9.9 t -73.08 -27.03 61.49 Favored 'General case' 0 C--N 1.307 -1.271 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 -178.644 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 8.7 t -75.83 -34.71 60.12 Favored 'General case' 0 N--CA 1.441 -0.909 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.524 178.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 66.3 m80 -86.47 -58.39 2.64 Favored 'General case' 0 CA--C 1.499 -1.01 0 CA-C-O 121.713 0.768 . . . . 0.0 111.081 -179.287 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -104.97 -39.38 5.24 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.0 0 CA-C-N 114.797 -1.092 . . . . 0.0 111.85 -171.089 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.482 ' C ' ' HA ' ' A' ' 10' ' ' CYS . . . 122.73 170.41 13.57 Favored Glycine 0 N--CA 1.435 -1.389 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.428 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.441 ' SG ' HD11 ' A' ' 20' ' ' LEU . 26.1 p -144.46 158.9 43.53 Favored 'General case' 0 C--N 1.291 -1.964 0 CA-C-O 120.923 0.392 . . . . 0.0 110.435 -178.702 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.548 ' O ' HD12 ' A' ' 20' ' ' LEU . 17.3 p -86.68 144.53 27.08 Favored 'General case' 0 N--CA 1.401 -2.91 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.624 178.008 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.546 ' HB2' ' HB3' ' B' ' 6' ' ' GLU . 9.5 tptm -62.7 -34.39 77.06 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 -179.294 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.4 mmm180 -58.29 -31.57 67.61 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.44 172.312 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.412 ' HB3' ' O ' ' A' ' 16' ' ' THR . 47.4 t -73.6 -47.5 39.83 Favored 'General case' 0 N--CA 1.431 -1.423 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 -177.618 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.567 ' H ' HD12 ' A' ' 20' ' ' LEU . 0.8 OUTLIER -68.77 -27.01 65.51 Favored 'General case' 0 CA--C 1.507 -0.695 0 C-N-CA 119.014 -1.075 . . . . 0.0 109.257 179.749 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.404 ' HB2' HG21 ' B' ' 22' ' ' ILE . . . -68.15 -40.15 82.47 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.814 176.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 27.4 tpt180 -67.25 -27.92 67.62 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.738 -178.315 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -95.68 -50.26 5.01 Favored 'General case' 0 C--N 1.303 -1.433 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.655 -179.137 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 52.0 t 67.28 96.26 0.06 Allowed 'General case' 0 C--N 1.304 -1.412 0 C-N-CA 124.598 1.159 . . . . 0.0 110.692 -177.678 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.096 0 CA-C-N 116.033 -0.53 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 . . . . . 0 CA--C 1.504 -0.804 0 N-CA-C 111.459 0.17 . . . . 0.0 111.459 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 50.5 m -52.24 -18.07 1.38 Allowed 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 114.397 1.258 . . . . 0.0 114.397 -179.258 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' TRP . . . . . . . . . . . . . 14.8 p-90 -67.44 -10.7 53.89 Favored 'General case' 0 C--N 1.289 -2.056 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.532 175.225 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' MET . . . . . 0.442 ' HG3' ' HG3' ' B' ' 5' ' ' GLU . 27.5 ptt? -67.79 -31.04 70.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 122.249 -0.282 . . . . 0.0 111.036 -179.077 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.442 ' HG3' ' HG3' ' B' ' 4' ' ' MET . 40.8 mt-10 -94.81 17.82 12.92 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.234 -176.245 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.549 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 23.4 tt0 -85.07 148.38 26.18 Favored 'General case' 0 N--CA 1.413 -2.285 0 N-CA-C 106.826 -1.546 . . . . 0.0 106.826 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 4.9 p -143.14 122.76 8.97 Favored 'Isoleucine or valine' 0 C--N 1.256 -3.494 0 CA-C-N 114.999 -1.0 . . . . 0.0 109.204 -179.551 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.526 ' HB ' HD13 ' B' ' 10' ' ' LEU . 0.2 OUTLIER -126.22 158.32 35.98 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.681 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.979 -176.208 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -116.26 75.24 0.94 Allowed 'General case' 0 N--CA 1.438 -1.037 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 178.366 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.526 HD13 ' HB ' ' B' ' 8' ' ' ILE . 9.8 mp -111.43 175.87 5.25 Favored 'General case' 0 CA--C 1.475 -1.934 0 CA-C-N 114.935 -1.03 . . . . 0.0 109.414 -179.475 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 45.7 t -156.39 164.17 38.6 Favored 'General case' 0 C--N 1.276 -2.627 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 -176.603 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 46.53 -123.52 7.3 Favored Glycine 0 C--N 1.303 -1.264 0 O-C-N 124.775 1.297 . . . . 0.0 115.592 178.089 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -67.41 -24.18 65.63 Favored 'General case' 0 C--N 1.306 -1.291 0 CA-C-N 114.05 -1.075 . . . . 0.0 111.433 -177.698 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' GLU . . . . . 0.4 ' HB3' HD23 ' B' ' 10' ' ' LEU . 36.9 mt-10 -72.04 -32.48 67.16 Favored 'General case' 0 N--CA 1.432 -1.343 0 C-N-CA 120.449 -0.5 . . . . 0.0 110.368 177.746 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 79.2 mt -63.21 -41.28 99.13 Favored 'General case' 0 CA--C 1.491 -1.291 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 173.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 43.0 t -62.04 -41.81 92.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 O-C-N 123.701 0.626 . . . . 0.0 109.689 178.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -57.37 -53.35 59.1 Favored 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 177.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.53 -38.72 85.33 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 114.162 -1.381 . . . . 0.0 111.853 179.458 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' GLN . . . . . 0.515 ' O ' HG22 ' B' ' 22' ' ' ILE . 87.4 mt-30 -63.92 -51.18 65.66 Favored 'General case' 0 C--N 1.315 -0.91 0 C-N-CA 123.608 0.763 . . . . 0.0 110.936 176.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 77.2 mt -60.67 -28.15 42.19 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.211 0 CA-C-O 121.491 0.662 . . . . 0.0 109.796 175.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.11 -21.67 53.9 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.534 177.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.515 HG22 ' O ' ' B' ' 19' ' ' GLN . 0.1 OUTLIER -89.69 -49.21 14.04 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.031 0 C-N-CA 120.22 -0.592 . . . . 0.0 109.42 176.961 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 71.8 m -76.19 -24.34 54.71 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 112.797 0.666 . . . . 0.0 112.797 -175.486 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -108.75 36.37 4.39 Favored Glycine 0 C--N 1.284 -2.306 0 C-N-CA 121.043 -0.598 . . . . 0.0 112.865 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 12.8 tpt -143.87 73.5 1.39 Allowed 'General case' 0 C--N 1.314 -0.95 0 CA-C-O 122.092 0.949 . . . . 0.0 109.932 178.044 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 20.4 m -104.14 20.69 17.82 Favored 'General case' 0 C--N 1.292 -1.93 0 CA-C-N 114.657 -1.156 . . . . 0.0 110.014 -179.307 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 8.1 m -73.4 -18.54 61.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 122.646 1.212 . . . . 0.0 109.771 178.377 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' TRP . . . . . . . . . . . . . 24.7 m95 -91.61 120.66 32.59 Favored 'General case' 0 C--N 1.281 -2.378 0 CA-C-N 113.956 -1.475 . . . . 0.0 107.768 177.234 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 44.2 m -153.81 90.89 1.41 Allowed 'General case' 0 C--N 1.302 -1.469 0 CA-C-O 121.395 0.617 . . . . 0.0 109.884 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.471 0 CA-C-N 116.234 -0.439 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.001 0 CA-C-O 120.48 0.181 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 94.5 mt -69.54 -25.6 64.09 Favored 'General case' 0 CA--C 1.485 -1.538 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 -177.329 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -75.65 -43.94 45.13 Favored 'General case' 0 N--CA 1.404 -2.76 0 C-N-CA 118.278 -1.369 . . . . 0.0 110.745 178.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.7 m -62.22 -36.71 82.79 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.366 178.288 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.21 -44.14 97.75 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.723 177.514 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.466 HD21 ' HA ' ' A' ' 20' ' ' LEU . 32.7 tp -61.46 -51.04 70.35 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 176.763 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.5 -45.75 69.8 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 114.906 -1.043 . . . . 0.0 111.673 -177.301 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -70.15 -39.6 75.27 Favored 'General case' 0 C--O 1.207 -1.147 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.141 178.662 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 26.2 tptp -61.99 -50.75 70.84 Favored 'General case' 0 C--N 1.311 -1.094 0 C-N-CA 122.722 0.409 . . . . 0.0 110.644 -176.53 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.403 ' HA ' ' CA ' ' A' ' 14' ' ' GLY . 29.6 m -65.62 -37.19 85.88 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-O 120.955 0.407 . . . . 0.0 110.147 -179.697 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 34.7 t -69.56 -40.45 76.79 Favored 'General case' 0 C--O 1.247 0.967 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.207 -177.346 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 25.9 m170 -79.95 -54.05 6.17 Favored 'General case' 0 CA--C 1.499 -0.981 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.569 -176.269 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 18.2 m -117.99 -49.48 4.02 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.775 0 N-CA-C 112.605 0.594 . . . . 0.0 112.605 -177.39 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.403 ' CA ' ' HA ' ' A' ' 10' ' ' CYS . . . 140.63 173.2 13.31 Favored Glycine 0 C--N 1.291 -1.926 0 N-CA-C 110.753 -0.939 . . . . 0.0 110.753 178.798 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.0 p -153.99 161.61 41.83 Favored 'General case' 0 C--N 1.293 -1.869 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 178.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.529 ' O ' HD12 ' A' ' 20' ' ' LEU . 22.7 p -81.18 153.53 27.16 Favored 'General case' 0 N--CA 1.408 -2.557 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.563 179.552 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.549 ' HB2' ' HB3' ' B' ' 6' ' ' GLU . 16.1 tptm -61.99 -31.37 71.73 Favored 'General case' 0 C--N 1.283 -2.316 0 C-N-CA 123.668 0.787 . . . . 0.0 110.367 -176.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 25.4 mmm180 -74.82 -21.06 59.5 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.254 175.007 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.8 t -74.34 -38.8 63.15 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 178.693 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.529 HD12 ' O ' ' A' ' 16' ' ' THR . 2.7 mp -71.75 -34.37 69.44 Favored 'General case' 0 CA--C 1.497 -1.062 0 C-N-CA 118.729 -1.188 . . . . 0.0 108.424 174.14 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.99 -34.98 70.58 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.334 -0.848 . . . . 0.0 113.06 179.532 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 -82.65 5.41 21.21 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 -177.607 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -129.36 -55.15 1.17 Allowed 'General case' 0 C--N 1.31 -1.134 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 175.672 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 9.5 t 48.51 84.07 0.03 OUTLIER 'General case' 0 C--N 1.312 -1.048 0 C-N-CA 125.962 1.705 . . . . 0.0 112.165 175.122 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.31 -1.14 0 O-C-N 121.91 -0.494 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 19.2 p-10 . . . . . 0 N--CA 1.471 0.61 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' SER . . . . . 0.61 ' O ' ' HG2' ' B' ' 6' ' ' GLU . 45.6 t -71.32 124.98 25.77 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-O 121.687 0.756 . . . . 0.0 110.536 177.841 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 3' ' ' TRP . . . . . 0.417 ' CD1' ' HA ' ' B' ' 27' ' ' THR . 73.6 m95 -63.57 -21.7 66.49 Favored 'General case' 0 C--N 1.292 -1.896 0 CA-C-N 113.552 -1.658 . . . . 0.0 114.143 -169.303 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 4' ' ' MET . . . . . 0.436 ' HG2' ' NH2' ' A' ' 18' ' ' ARG . 65.5 mtt -85.04 -9.5 57.93 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-O 120.661 0.267 . . . . 0.0 111.338 -179.739 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -125.68 18.81 8.0 Favored 'General case' 0 C--O 1.244 0.771 0 CA-C-O 120.691 0.281 . . . . 0.0 111.069 -174.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.61 ' HG2' ' O ' ' B' ' 2' ' ' SER . 20.8 mm-40 -95.09 118.08 31.28 Favored 'General case' 0 C--N 1.303 -1.436 0 CA-C-O 121.633 0.73 . . . . 0.0 111.853 -176.221 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.4 p -140.77 129.61 24.98 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.635 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 174.623 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.428 ' HB ' HD13 ' B' ' 10' ' ' LEU . 22.4 pt -131.76 164.25 35.1 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 CA-C-O 121.171 0.51 . . . . 0.0 110.498 -176.367 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -136.82 91.59 2.65 Favored 'General case' 0 C--N 1.292 -1.901 0 CA-C-N 114.795 -1.093 . . . . 0.0 108.191 176.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.445 HD23 ' HB3' ' B' ' 14' ' ' GLU . 9.2 mp -125.89 175.6 7.56 Favored 'General case' 0 CA--C 1.485 -1.533 0 CA-C-N 114.359 -1.292 . . . . 0.0 108.95 -176.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 11' ' ' CYS . . . . . 0.444 ' O ' ' HB2' ' B' ' 14' ' ' GLU . 39.3 m -148.48 164.12 35.13 Favored 'General case' 0 C--N 1.293 -1.867 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 -178.61 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 49.95 -127.99 25.1 Favored Glycine 0 C--O 1.239 0.42 0 N-CA-C 115.047 0.779 . . . . 0.0 115.047 174.138 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 26.0 mmt180 -63.83 -23.94 67.55 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.139 -0.53 . . . . 0.0 111.738 -179.605 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' GLU . . . . . 0.445 ' HB3' HD23 ' B' ' 10' ' ' LEU . 23.4 mm-40 -69.58 -35.58 75.49 Favored 'General case' 0 N--CA 1.436 -1.149 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 -179.385 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.408 HD13 ' HA ' ' A' ' 7' ' ' ALA . 88.9 mt -67.07 -42.19 85.12 Favored 'General case' 0 C--O 1.211 -0.946 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.818 175.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 16' ' ' VAL . . . . . 0.475 ' O ' HG12 ' B' ' 20' ' ' ILE . 47.0 t -65.73 -42.19 91.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 123.809 0.693 . . . . 0.0 110.234 -178.031 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 17' ' ' ARG . . . . . 0.467 ' HA ' ' CZ ' ' B' ' 17' ' ' ARG . 0.2 OUTLIER -57.03 -52.47 65.14 Favored 'General case' 0 C--O 1.243 0.762 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 178.616 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.79 -45.43 92.34 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 113.951 -1.477 . . . . 0.0 110.938 178.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' GLN . . . . . 0.486 ' HG2' ' HB3' ' A' ' 20' ' ' LEU . 74.3 mt-30 -57.78 -51.81 68.06 Favored 'General case' 0 C--N 1.318 -0.776 0 C-N-CA 124.033 0.933 . . . . 0.0 112.549 178.432 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 20' ' ' ILE . . . . . 0.475 HG12 ' O ' ' B' ' 16' ' ' VAL . 48.1 mm -58.35 -46.56 89.14 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.349 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.048 178.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.21 -43.14 95.94 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.187 0.517 . . . . 0.0 110.722 -179.326 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.618 HD12 ' HB2' ' A' ' 21' ' ' ALA . 0.3 OUTLIER -69.81 -28.15 35.91 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.974 0 CA-C-O 121.773 0.797 . . . . 0.0 110.021 -178.428 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 2.9 t -79.38 -20.03 48.69 Favored 'General case' 0 C--N 1.29 -2.005 0 CA-C-O 121.344 0.592 . . . . 0.0 109.565 -178.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -93.7 -16.12 46.85 Favored Glycine 0 N--CA 1.438 -1.211 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.913 177.279 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -148.45 80.88 1.46 Allowed 'General case' 0 CA--C 1.502 -0.9 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 -179.256 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 26' ' ' SER . . . . . 0.471 ' HA ' HD13 ' B' ' 22' ' ' ILE . 19.3 m -81.83 -17.14 48.5 Favored 'General case' 0 C--N 1.3 -1.566 0 CA-C-O 121.75 0.786 . . . . 0.0 112.158 -178.018 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 27' ' ' THR . . . . . 0.431 HG22 ' H ' ' B' ' 28' ' ' TRP . 6.9 m -162.03 173.21 14.71 Favored 'General case' 0 C--N 1.265 -3.086 0 N-CA-C 103.977 -2.601 . . . . 0.0 103.977 178.64 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 28' ' ' TRP . . . . . 0.431 ' H ' HG22 ' B' ' 27' ' ' THR . 89.2 m95 -79.1 127.41 31.97 Favored 'General case' 0 C--N 1.286 -2.162 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 178.202 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 17.6 m -94.06 94.11 8.22 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-O 121.047 0.451 . . . . 0.0 110.295 -179.297 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.309 -1.187 0 O-C-N 122.267 -0.27 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.72 0 CA-C-O 120.703 0.287 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 91.9 mt -71.68 -22.0 61.72 Favored 'General case' 0 CA--C 1.483 -1.627 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 -177.373 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -59.28 -47.99 83.29 Favored 'General case' 0 N--CA 1.415 -2.185 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 171.102 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.1 m -68.99 -33.12 73.15 Favored 'General case' 0 C--O 1.248 0.985 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.616 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.1 -43.11 99.41 Favored 'General case' 0 C--O 1.242 0.665 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.215 176.304 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.483 HD21 ' HA ' ' A' ' 20' ' ' LEU . 35.8 tp -63.53 -44.87 92.97 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.623 176.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.408 ' HA ' HD13 ' B' ' 15' ' ' LEU . . . -54.13 -48.69 70.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.511 -178.749 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -64.85 -40.66 95.51 Favored 'General case' 0 C--O 1.204 -1.337 0 C-N-CA 120.843 -0.343 . . . . 0.0 111.185 177.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.5 tmtm? -61.72 -48.78 79.19 Favored 'General case' 0 C--N 1.307 -1.277 0 C-N-CA 123.005 0.522 . . . . 0.0 110.689 -178.48 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 34.9 m -71.89 -26.54 62.37 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 122.456 -0.153 . . . . 0.0 111.063 -179.464 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 45.0 t -79.51 -39.47 31.93 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-O 120.771 0.32 . . . . 0.0 110.473 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -77.24 -53.3 7.89 Favored 'General case' 0 CA--C 1.497 -1.089 0 CA-C-O 120.929 0.395 . . . . 0.0 111.622 -176.183 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.7 m -117.18 -46.16 3.74 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 CA-C-N 115.39 -0.823 . . . . 0.0 112.492 -177.033 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 125.35 163.54 11.63 Favored Glycine 0 C--N 1.292 -1.885 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 178.723 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.8 p -147.12 164.13 34.07 Favored 'General case' 0 C--N 1.294 -1.845 0 N-CA-C 110.043 -0.355 . . . . 0.0 110.043 -177.463 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.503 ' O ' HD12 ' A' ' 20' ' ' LEU . 8.1 p -74.5 153.02 39.29 Favored 'General case' 0 N--CA 1.396 -3.16 0 CA-C-N 115.619 -0.718 . . . . 0.0 109.689 176.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.611 ' HG3' ' CG1' ' B' ' 22' ' ' ILE . 18.4 tptm -67.37 -29.37 68.89 Favored 'General case' 0 C--N 1.281 -2.405 0 N-CA-C 108.069 -1.086 . . . . 0.0 108.069 -178.335 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.436 ' NH2' ' HG2' ' B' ' 4' ' ' MET . 94.9 mtt180 -65.61 -26.67 67.93 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.705 172.214 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.422 ' O ' ' HD1' ' A' ' 23' ' ' PHE . 31.8 t -73.9 -39.66 63.71 Favored 'General case' 0 N--CA 1.43 -1.451 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 -179.533 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.503 HD12 ' O ' ' A' ' 16' ' ' THR . 1.6 mp -73.78 -29.3 62.12 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 118.985 -1.086 . . . . 0.0 108.921 175.477 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.618 ' HB2' HD12 ' B' ' 22' ' ' ILE . . . -59.97 -34.46 73.32 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 115.229 -0.896 . . . . 0.0 112.675 178.493 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.8 ptt180 -86.0 6.41 28.85 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-O 121.094 0.473 . . . . 0.0 112.23 -179.367 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.422 ' HD1' ' O ' ' A' ' 19' ' ' SER . 70.5 m-85 -121.89 -62.03 1.44 Allowed 'General case' 0 CA--C 1.505 -0.778 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.485 177.143 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 68.3 m 71.3 -73.15 0.1 Allowed 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.437 1.095 . . . . 0.0 111.544 -176.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.906 0 O-C-N 121.93 -0.481 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 . . . . . 0 N--CA 1.481 1.121 0 N-CA-C 113.331 0.864 . . . . 0.0 113.331 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' SER . . . . . 0.592 ' O ' ' HG2' ' B' ' 6' ' ' GLU . 9.3 m -68.7 128.09 35.39 Favored 'General case' 0 C--O 1.207 -1.157 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 177.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 3' ' ' TRP . . . . . 0.494 ' HD1' ' CD1' ' B' ' 28' ' ' TRP . 75.8 m95 -65.12 -24.06 67.31 Favored 'General case' 0 C--N 1.294 -1.833 0 N-CA-C 115.436 1.643 . . . . 0.0 115.436 -165.418 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 51.1 tpp -80.61 -46.3 15.9 Favored 'General case' 0 C--N 1.31 -1.118 0 C-N-CA 118.859 -1.136 . . . . 0.0 110.671 -178.144 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -108.9 91.8 3.79 Favored 'General case' 0 C--N 1.3 -1.563 0 CA-C-O 121.567 0.699 . . . . 0.0 111.601 -178.692 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.661 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 15.8 mm-40 -146.85 125.43 12.48 Favored 'General case' 0 C--N 1.304 -1.404 0 CA-C-N 114.71 -1.132 . . . . 0.0 110.845 -177.733 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 7' ' ' VAL . . . . . 0.458 ' HA ' ' O ' ' A' ' 15' ' ' CYS . 5.5 p -150.89 108.43 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.293 -1.884 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 175.545 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 34.4 pt -133.94 173.17 15.08 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.692 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 -176.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -115.65 139.58 49.99 Favored 'General case' 0 C--N 1.291 -1.948 0 O-C-N 123.809 0.693 . . . . 0.0 109.14 175.435 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.756 ' HG ' HD23 ' B' ' 15' ' ' LEU . 0.3 OUTLIER -155.09 166.0 34.95 Favored 'General case' 0 C--N 1.291 -1.946 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 -179.44 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 11' ' ' CYS . . . . . 0.482 ' CA ' ' HG ' ' B' ' 15' ' ' LEU . 57.5 m -156.1 158.68 38.15 Favored 'General case' 0 C--N 1.284 -2.27 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 -172.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 47.21 -121.64 6.47 Favored Glycine 0 C--O 1.257 1.585 0 O-C-N 124.486 1.116 . . . . 0.0 115.632 176.167 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.597 ' O ' ' HD3' ' B' ' 17' ' ' ARG . 95.6 mtt180 -63.01 -38.32 90.71 Favored 'General case' 0 C--N 1.308 -1.225 0 CA-C-N 113.679 -1.26 . . . . 0.0 109.262 -178.715 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 14' ' ' GLU . . . . . 0.462 ' O ' HD12 ' B' ' 10' ' ' LEU . 47.7 mt-10 -61.86 -37.43 84.51 Favored 'General case' 0 C--O 1.245 0.854 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.191 179.577 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.756 HD23 ' HG ' ' B' ' 10' ' ' LEU . 26.4 mt -61.06 -42.69 98.97 Favored 'General case' 0 C--N 1.36 1.037 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 95.5 t -68.01 -43.72 85.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 114.252 -1.34 . . . . 0.0 110.621 -177.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' ARG . . . . . 0.597 ' HD3' ' O ' ' B' ' 13' ' ' ARG . 6.8 mpt_? -53.92 -45.21 71.13 Favored 'General case' 0 C--N 1.32 -0.704 0 O-C-N 123.704 0.628 . . . . 0.0 112.114 179.734 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 18' ' ' ALA . . . . . 0.587 ' O ' HG13 ' B' ' 22' ' ' ILE . . . -74.93 -46.29 36.76 Favored 'General case' 0 C--N 1.307 -1.278 0 C-N-CA 120.382 -0.527 . . . . 0.0 110.577 179.077 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 19' ' ' GLN . . . . . 0.563 ' HG2' ' HB3' ' A' ' 20' ' ' LEU . 70.0 mt-30 -54.67 -54.56 40.09 Favored 'General case' 0 CA--C 1.517 -0.307 0 O-C-N 123.386 0.429 . . . . 0.0 111.994 -179.059 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 46.3 mm -63.43 -36.17 75.2 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.1 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.128 -179.493 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.54 -48.6 78.8 Favored 'General case' 0 C--O 1.22 -0.475 0 CA-C-N 116.773 -0.194 . . . . 0.0 110.754 178.126 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.587 HG13 ' O ' ' B' ' 18' ' ' ALA . 25.0 mt -69.1 -28.32 38.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 CA-C-O 121.787 0.803 . . . . 0.0 109.761 -179.242 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 8.7 t -75.19 -22.12 58.23 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-N 115.031 -0.986 . . . . 0.0 109.868 -175.705 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -103.82 -31.7 4.71 Favored Glycine 0 N--CA 1.446 -0.676 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 176.509 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 23.6 mmt -106.69 62.04 0.63 Allowed 'General case' 0 C--N 1.311 -1.073 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 179.105 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 42.2 m -82.45 30.7 0.41 Allowed 'General case' 0 C--N 1.293 -1.882 0 CA-C-N 114.137 -1.392 . . . . 0.0 111.891 -179.379 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 4.2 m -142.4 173.9 11.11 Favored 'General case' 0 N--CA 1.403 -2.821 0 N-CA-C 103.304 -2.85 . . . . 0.0 103.304 179.067 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 28' ' ' TRP . . . . . 0.494 ' CD1' ' HD1' ' B' ' 3' ' ' TRP . 25.5 m-90 -81.61 77.35 8.47 Favored 'General case' 0 C--N 1.275 -2.67 0 CA-C-O 121.532 0.682 . . . . 0.0 109.753 178.047 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 13.3 m -114.12 91.55 3.67 Favored 'General case' 0 N--CA 1.425 -1.683 0 CA-C-N 114.475 -1.239 . . . . 0.0 108.376 -179.404 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.3 -1.562 0 CA-C-N 116.356 -0.383 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.128 0 N-CA-C 110.389 -0.226 . . . . 0.0 110.389 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 96.1 mt -69.38 -31.89 70.57 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.229 -179.503 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -59.51 -55.52 33.55 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 120.916 0.389 . . . . 0.0 110.894 176.382 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.9 m -65.43 -31.64 72.85 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.193 -179.013 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.77 -51.1 66.39 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 176.156 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.512 HD21 ' HA ' ' A' ' 20' ' ' LEU . 67.0 tp -58.48 -46.4 86.71 Favored 'General case' 0 CA--C 1.517 -0.295 0 O-C-N 123.716 0.635 . . . . 0.0 110.055 178.28 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.73 -51.88 61.92 Favored 'General case' 0 C--N 1.328 -0.362 0 O-C-N 123.728 0.643 . . . . 0.0 111.42 179.686 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -67.13 -48.43 68.11 Favored 'General case' 0 CA--C 1.51 -0.574 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -61.15 -44.69 96.93 Favored 'General case' 0 C--N 1.312 -1.044 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 -178.119 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.432 ' HA ' ' CA ' ' A' ' 14' ' ' GLY . 4.5 t -77.65 -16.69 58.37 Favored 'General case' 0 C--N 1.295 -1.791 0 CA-C-O 121.295 0.569 . . . . 0.0 110.124 -176.805 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.437 ' HA ' ' O ' ' B' ' 10' ' ' LEU . 42.0 t -81.15 -34.67 32.28 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-O 121.497 0.665 . . . . 0.0 110.013 176.305 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -89.23 -62.58 1.45 Allowed 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.914 -179.081 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 29.2 m -96.95 -51.77 10.08 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 CA-C-O 121.339 0.59 . . . . 0.0 111.338 -177.217 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.432 ' CA ' ' HA ' ' A' ' 10' ' ' CYS . . . 133.13 178.22 15.42 Favored Glycine 0 C--N 1.289 -2.06 0 N-CA-C 110.226 -1.15 . . . . 0.0 110.226 178.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.458 ' O ' ' HA ' ' B' ' 7' ' ' VAL . 29.9 p -159.3 165.82 32.6 Favored 'General case' 0 C--N 1.288 -2.102 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 -176.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.526 ' HA ' ' O ' ' B' ' 6' ' ' GLU . 40.4 p -72.21 145.17 48.18 Favored 'General case' 0 N--CA 1.397 -3.098 0 CA-C-O 122.064 0.935 . . . . 0.0 110.115 177.108 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.661 ' HB2' ' HB3' ' B' ' 6' ' ' GLU . 13.7 tptm -65.24 -30.64 71.55 Favored 'General case' 0 C--N 1.268 -2.965 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 39.1 mtm105 -71.58 -21.01 61.93 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.145 175.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.505 ' HB3' ' OG1' ' A' ' 16' ' ' THR . 23.2 p -74.81 -42.93 57.13 Favored 'General case' 0 N--CA 1.435 -1.194 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 179.513 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.563 ' HB3' ' HG2' ' B' ' 19' ' ' GLN . 11.0 mt -63.31 -40.67 97.98 Favored 'General case' 0 CA--C 1.491 -1.29 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 176.246 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.513 ' HB2' HG21 ' B' ' 22' ' ' ILE . . . -55.32 -37.66 67.68 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-N 114.073 -1.421 . . . . 0.0 112.59 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -89.43 9.27 27.0 Favored 'General case' 0 C--O 1.239 0.522 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 -177.524 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.433 ' HD2' ' O ' ' A' ' 19' ' ' SER . 71.5 m-85 -121.01 -53.12 2.06 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.16 175.792 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 50.8 t 59.89 79.38 0.24 Allowed 'General case' 0 CA--C 1.549 0.907 0 O-C-N 123.849 0.718 . . . . 0.0 111.298 178.185 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.314 -0.964 0 O-C-N 121.876 -0.515 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 . . . . . 0 N--CA 1.452 -0.358 0 CA-C-O 120.434 0.159 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' SER . . . . . 0.417 ' O ' ' HG3' ' B' ' 6' ' ' GLU . 12.8 p -87.14 98.39 11.27 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-O 121.499 0.666 . . . . 0.0 110.991 177.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 3' ' ' TRP . . . . . 0.421 ' CD1' ' HA ' ' B' ' 28' ' ' TRP . 57.0 m95 -56.73 -44.3 81.51 Favored 'General case' 0 C--N 1.292 -1.895 0 N-CA-C 114.565 1.32 . . . . 0.0 114.565 -171.426 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 72.2 mtm -76.56 -9.0 58.34 Favored 'General case' 0 C--N 1.313 -1.007 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -174.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -116.6 -20.49 9.56 Favored 'General case' 0 C--N 1.314 -0.947 0 N-CA-C 113.164 0.801 . . . . 0.0 113.164 -176.667 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.49 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 32.6 mt-10 -64.36 119.8 11.02 Favored 'General case' 0 N--CA 1.438 -1.028 0 N-CA-C 114.861 1.43 . . . . 0.0 114.861 -177.107 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 7' ' ' VAL . . . . . 0.468 ' HA ' ' HA ' ' A' ' 16' ' ' THR . 3.4 p -133.81 107.93 11.01 Favored 'Isoleucine or valine' 0 C--N 1.271 -2.83 0 CA-C-N 112.715 -2.039 . . . . 0.0 105.945 172.82 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . 0.269 1.5 pp -119.52 171.93 7.2 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.977 0 N-CA-C 115.012 1.486 . . . . 0.0 115.012 -170.707 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 24.3 tptm -124.64 122.35 37.28 Favored 'General case' 0 C--N 1.293 -1.868 0 CA-C-N 113.926 -1.488 . . . . 0.0 107.993 -173.229 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.742 ' HG ' HD23 ' B' ' 15' ' ' LEU . 0.1 OUTLIER -167.44 169.9 11.82 Favored 'General case' 0 C--N 1.301 -1.535 0 C-N-CA 122.978 0.511 . . . . 0.0 109.757 -175.521 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 11' ' ' CYS . . . . . 0.411 ' CA ' ' HG ' ' B' ' 15' ' ' LEU . 62.7 m -157.45 163.0 38.96 Favored 'General case' 0 C--N 1.292 -1.932 0 N-CA-C 107.081 -1.452 . . . . 0.0 107.081 -178.309 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 46.53 -124.44 7.98 Favored Glycine 0 C--O 1.246 0.904 0 N-CA-C 115.821 1.088 . . . . 0.0 115.821 175.45 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 22.4 mtp180 -66.11 -29.87 70.27 Favored 'General case' 0 C--N 1.298 -1.639 0 CA-C-N 113.884 -1.158 . . . . 0.0 111.301 -177.559 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' GLU . . . . . 0.449 ' O ' HD12 ' B' ' 10' ' ' LEU . 9.3 mm-40 -66.01 -34.95 79.26 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.093 176.818 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.742 HD23 ' HG ' ' B' ' 10' ' ' LEU . 22.0 mt -63.4 -42.57 98.79 Favored 'General case' 0 C--N 1.35 0.593 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 178.433 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 44.1 t -66.82 -40.08 85.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 114.429 -1.26 . . . . 0.0 110.237 -177.752 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' ARG . . . . . 0.438 ' HD2' ' OE1' ' B' ' 14' ' ' GLU . 90.7 mtt180 -56.2 -46.1 79.58 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.813 -0.63 . . . . 0.0 112.506 177.219 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 18' ' ' ALA . . . . . 0.653 ' O ' HG13 ' B' ' 22' ' ' ILE . . . -68.89 -42.92 76.29 Favored 'General case' 0 C--N 1.305 -1.34 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.339 178.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 19' ' ' GLN . . . . . 0.566 ' HG2' ' HB3' ' A' ' 20' ' ' LEU . 93.0 mt-30 -52.28 -55.86 18.54 Favored 'General case' 0 C--O 1.241 0.614 0 C-N-CA 123.627 0.771 . . . . 0.0 111.243 178.226 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 80.7 mt -57.79 -42.18 81.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.875 178.418 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.89 -19.29 65.7 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.026 -0.534 . . . . 0.0 112.404 -179.014 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.653 HG13 ' O ' ' B' ' 18' ' ' ALA . 66.8 mt -83.21 -55.37 7.42 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.19 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 178.331 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 11.8 m -74.73 -20.11 59.96 Favored 'General case' 0 C--N 1.309 -1.178 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -176.411 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -65.86 -24.85 71.67 Favored Glycine 0 C--N 1.298 -1.536 0 CA-C-N 115.362 -0.835 . . . . 0.0 111.487 171.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 24.2 ptm -145.59 65.02 1.24 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 122.108 0.956 . . . . 0.0 110.234 178.047 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 7.1 p -83.79 66.96 9.34 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-O 122.241 1.02 . . . . 0.0 111.269 -177.482 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 1.9 p -142.61 139.7 31.4 Favored 'General case' 0 N--CA 1.402 -2.85 0 CA-C-N 113.74 -1.573 . . . . 0.0 107.186 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' TRP . . . . . 0.421 ' HA ' ' CD1' ' B' ' 3' ' ' TRP . 74.6 t90 -75.9 -12.99 60.26 Favored 'General case' 0 C--N 1.297 -1.71 0 CA-C-O 122.628 1.204 . . . . 0.0 110.822 -176.866 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 39.1 t -120.03 83.36 2.04 Favored 'General case' 0 C--N 1.255 -3.527 0 CA-C-N 113.876 -1.511 . . . . 0.0 107.643 176.542 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.775 0 CA-C-N 116.183 -0.462 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.008 0 CA-C-O 122.232 1.015 . . . . 0.0 109.764 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 46.4 tp -69.69 -27.01 64.64 Favored 'General case' 0 C--N 1.298 -1.64 0 CA-C-N 113.918 -1.492 . . . . 0.0 112.373 -174.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -78.31 -37.34 44.95 Favored 'General case' 0 N--CA 1.424 -1.742 0 C-N-CA 117.491 -1.683 . . . . 0.0 110.371 178.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 29.7 m -64.97 -45.4 85.83 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.739 176.224 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.85 -43.32 93.39 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.733 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.609 HD12 ' SG ' ' A' ' 15' ' ' CYS . 55.0 tp -48.68 -56.67 7.88 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 124.093 0.957 . . . . 0.0 112.282 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.56 -45.11 81.42 Favored 'General case' 0 CA--C 1.512 -0.486 0 O-C-N 123.631 0.582 . . . . 0.0 111.02 -177.362 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -72.23 -36.14 69.04 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.233 -178.313 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 57.5 tttp -67.81 -52.85 32.27 Favored 'General case' 0 C--N 1.307 -1.26 0 C-N-CA 122.928 0.491 . . . . 0.0 109.873 -176.616 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.604 ' HB3' HD23 ' B' ' 10' ' ' LEU . 27.7 m -68.04 -21.06 65.03 Favored 'General case' 0 C--N 1.306 -1.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.652 178.661 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 13.3 t -81.45 -34.75 31.25 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-O 120.921 0.391 . . . . 0.0 110.425 179.671 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 61.6 m80 -89.83 -56.5 3.21 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -178.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 17.7 m -108.74 -48.25 7.4 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.611 0 N-CA-C 112.678 0.621 . . . . 0.0 112.678 -176.024 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.494 ' HA2' ' HA ' ' A' ' 10' ' ' CYS . . . 125.87 149.79 7.51 Favored Glycine 0 C--N 1.286 -2.231 0 N-CA-C 109.18 -1.568 . . . . 0.0 109.18 -178.247 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.609 ' SG ' HD12 ' A' ' 6' ' ' LEU 0.271 9.0 p -151.3 164.96 35.47 Favored 'General case' 0 C--N 1.293 -1.886 0 CA-C-N 117.322 0.561 . . . . 0.0 112.409 -177.842 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.468 ' HA ' ' HA ' ' B' ' 7' ' ' VAL . 35.4 p -62.69 144.58 56.19 Favored 'General case' 0 N--CA 1.418 -2.071 0 N-CA-C 115.071 1.508 . . . . 0.0 115.071 -172.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.49 ' HB2' ' HB3' ' B' ' 6' ' ' GLU . 20.4 tptm -63.57 -31.32 72.45 Favored 'General case' 0 C--N 1.292 -1.912 0 CA-C-N 113.266 -1.788 . . . . 0.0 107.43 177.331 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.1 mmm180 -66.0 -27.23 67.97 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.647 175.378 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 32.0 t -74.47 -33.59 62.92 Favored 'General case' 0 N--CA 1.425 -1.678 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 -179.321 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.566 ' HB3' ' HG2' ' B' ' 19' ' ' GLN . 2.3 mp -81.21 -30.36 34.28 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 119.66 -0.816 . . . . 0.0 109.486 173.138 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.405 ' HB2' HG21 ' B' ' 22' ' ' ILE . . . -56.02 -40.03 72.8 Favored 'General case' 0 N--CA 1.483 1.205 0 CA-C-N 115.243 -0.89 . . . . 0.0 112.279 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.0 ptp180 -77.65 8.9 3.85 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.946 -0.57 . . . . 0.0 112.122 -178.658 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -130.02 -66.19 0.79 Allowed 'General case' 0 CA--C 1.505 -0.756 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.453 176.076 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 77.6 m 64.53 -74.05 0.05 Allowed 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.287 1.035 . . . . 0.0 113.142 -177.727 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.265 0 O-C-N 121.759 -0.588 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 . . . . . 0 N--CA 1.477 0.88 0 N-CA-C 111.614 0.228 . . . . 0.0 111.614 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 24.8 m -60.29 -24.2 64.77 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 -175.338 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' TRP . . . . . 0.453 ' CZ3' ' HG2' ' B' ' 4' ' ' MET . 38.6 p-90 -75.07 -13.3 60.47 Favored 'General case' 0 C--N 1.273 -2.725 0 CA-C-N 114.624 -1.171 . . . . 0.0 111.805 179.006 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 4' ' ' MET . . . . . 0.716 ' HB3' ' HB3' ' A' ' 18' ' ' ARG . 69.0 mtm -75.46 -24.46 56.98 Favored 'General case' 0 C--O 1.248 0.991 0 CA-C-O 120.733 0.301 . . . . 0.0 111.269 -178.158 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -85.17 76.39 10.2 Favored 'General case' 0 N--CA 1.427 -1.583 0 CA-C-O 122.781 1.276 . . . . 0.0 110.266 178.627 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.65 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 32.2 tt0 -144.57 158.61 43.69 Favored 'General case' 0 N--CA 1.417 -2.11 0 N-CA-C 103.913 -2.625 . . . . 0.0 103.913 -179.427 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 4.4 p -150.91 121.32 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.275 -2.667 0 O-C-N 123.743 0.652 . . . . 0.0 109.752 -178.69 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 27.7 pt -138.14 172.62 13.87 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.344 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.531 -178.691 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -118.29 137.75 52.85 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 179.068 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.78 ' HG ' HD23 ' B' ' 15' ' ' LEU . 0.2 OUTLIER -164.2 168.47 18.86 Favored 'General case' 0 C--N 1.306 -1.3 0 C-N-CA 123.683 0.793 . . . . 0.0 109.148 -174.685 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 11' ' ' CYS . . . . . 0.485 ' CA ' ' HG ' ' B' ' 15' ' ' LEU . 60.2 m -158.81 162.14 37.0 Favored 'General case' 0 C--N 1.296 -1.756 0 N-CA-C 107.516 -1.29 . . . . 0.0 107.516 -175.199 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 48.1 -130.16 18.59 Favored Glycine 0 N--CA 1.469 0.87 0 N-CA-C 114.747 0.659 . . . . 0.0 114.747 175.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.538 ' O ' ' HG3' ' B' ' 17' ' ' ARG . 24.3 tpt180 -63.85 -28.34 69.78 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 115.077 -0.562 . . . . 0.0 111.005 179.463 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 14' ' ' GLU . . . . . 0.479 ' O ' HD12 ' B' ' 10' ' ' LEU . 59.6 mm-40 -63.0 -37.24 86.37 Favored 'General case' 0 CA--C 1.512 -0.481 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 176.383 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.78 HD23 ' HG ' ' B' ' 10' ' ' LEU . 27.3 mt -62.04 -42.59 99.34 Favored 'General case' 0 C--N 1.349 0.584 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 178.493 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 31.4 t -70.24 -28.79 36.9 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.911 0 CA-C-N 113.883 -1.508 . . . . 0.0 110.252 -177.186 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' ARG . . . . . 0.538 ' HG3' ' O ' ' B' ' 13' ' ' ARG . 76.5 mtp180 -62.77 -49.14 76.17 Favored 'General case' 0 N--CA 1.438 -1.07 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.523 177.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 18' ' ' ALA . . . . . 0.464 ' O ' HG12 ' B' ' 22' ' ' ILE . . . -73.16 -39.46 65.63 Favored 'General case' 0 C--N 1.302 -1.464 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.917 179.099 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 19' ' ' GLN . . . . . 0.469 ' CG ' ' HB3' ' A' ' 20' ' ' LEU . 18.7 mt-30 -58.18 -60.68 3.38 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 122.955 0.502 . . . . 0.0 112.122 179.498 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 51.7 mt -63.7 -29.87 48.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.698 -0.228 . . . . 0.0 111.27 -179.448 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.45 -38.13 88.6 Favored 'General case' 0 C--O 1.204 -1.333 0 N-CA-C 109.811 -0.441 . . . . 0.0 109.811 176.391 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.464 HG12 ' O ' ' B' ' 18' ' ' ALA . 38.2 mm -70.83 -32.54 49.21 Favored 'Isoleucine or valine' 0 C--O 1.239 0.508 0 CA-C-O 121.481 0.658 . . . . 0.0 110.149 176.406 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 86.3 m -74.58 -24.57 58.93 Favored 'General case' 0 C--N 1.308 -1.213 0 CA-C-O 121.556 0.693 . . . . 0.0 110.862 -178.368 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -129.83 54.68 0.78 Allowed Glycine 0 C--N 1.283 -2.412 0 CA-C-N 114.967 -1.015 . . . . 0.0 111.879 178.305 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' MET . . . . . 0.461 ' HG3' ' O ' ' B' ' 22' ' ' ILE . 3.7 ppp? -111.95 28.02 9.14 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-O 121.298 0.57 . . . . 0.0 110.088 176.128 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 9.9 m -67.63 14.92 0.05 OUTLIER 'General case' 0 CA--C 1.554 1.101 0 C-N-CA 124.811 1.244 . . . . 0.0 114.156 -173.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 6.6 m -82.16 -15.77 52.12 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 106.963 -1.495 . . . . 0.0 106.963 173.014 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 28' ' ' TRP . . . . . . . . . . . . . 71.2 t-105 -136.94 162.31 33.64 Favored 'General case' 0 C--N 1.292 -1.91 0 CA-C-N 113.328 -1.76 . . . . 0.0 106.599 176.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 16.0 m -81.41 104.39 11.82 Favored 'General case' 0 C--N 1.302 -1.484 0 CA-C-O 120.868 0.366 . . . . 0.0 110.456 -179.163 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.31 -1.115 0 CA-C-N 116.655 -0.248 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.01 0 CA-C-O 121.104 0.478 . . . . 0.0 110.813 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.429 ' H ' HD23 ' A' ' 2' ' ' LEU . 2.5 pt? -66.53 -32.74 74.28 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 115.876 -0.602 . . . . 0.0 112.191 -177.56 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.511 ' CE2' ' HA ' ' A' ' 23' ' ' PHE . 34.1 m-85 -71.21 -51.15 26.33 Favored 'General case' 0 CA--C 1.509 -0.613 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 -179.031 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 11.7 m -60.02 -38.25 82.13 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.515 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -74.84 -29.35 61.02 Favored 'General case' 0 C--O 1.203 -1.383 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.132 179.112 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.49 HD11 ' O ' ' A' ' 19' ' ' SER . 7.2 tt -60.17 -53.45 57.55 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 -179.16 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.09 -43.69 78.3 Favored 'General case' 0 C--O 1.244 0.788 0 CA-C-O 121.381 0.61 . . . . 0.0 110.86 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -69.58 -40.97 76.41 Favored 'General case' 0 C--O 1.206 -1.204 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.082 -179.644 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -58.24 -47.78 82.46 Favored 'General case' 0 C--N 1.308 -1.197 0 C-N-CA 123.683 0.793 . . . . 0.0 110.225 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.448 ' HB3' HD23 ' B' ' 10' ' ' LEU . 24.0 m -65.61 -30.83 71.6 Favored 'General case' 0 C--N 1.311 -1.088 0 O-C-N 123.654 0.596 . . . . 0.0 110.409 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.9 t -81.91 -34.71 29.78 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-O 121.014 0.435 . . . . 0.0 110.969 -178.241 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 11.3 m170 -77.16 -52.98 8.34 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-O 120.98 0.419 . . . . 0.0 111.609 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 17.5 m -125.74 -48.07 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.538 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.162 -175.249 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 139.74 170.68 12.03 Favored Glycine 0 C--N 1.291 -1.94 0 N-CA-C 109.534 -1.427 . . . . 0.0 109.534 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.5 p -149.86 164.75 34.52 Favored 'General case' 0 C--N 1.292 -1.902 0 CA-C-N 117.249 0.525 . . . . 0.0 109.827 -177.473 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.484 ' O ' ' HB3' ' A' ' 19' ' ' SER . 63.2 p -80.66 149.62 29.73 Favored 'General case' 0 N--CA 1.406 -2.641 0 CA-C-O 121.23 0.538 . . . . 0.0 110.073 179.569 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.65 ' HB2' ' HB3' ' B' ' 6' ' ' GLU . 12.7 tptm -63.53 -29.32 70.6 Favored 'General case' 0 C--N 1.288 -2.105 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.275 -176.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.716 ' HB3' ' HB3' ' B' ' 4' ' ' MET . 26.4 ptt180 -62.15 -36.37 81.62 Favored 'General case' 0 N--CA 1.487 1.4 0 CA-C-O 121.898 0.856 . . . . 0.0 110.661 173.754 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.49 ' O ' HD11 ' A' ' 6' ' ' LEU . 27.6 t -63.29 -54.18 41.2 Favored 'General case' 0 C--N 1.28 -2.432 0 CA-C-N 114.158 -1.383 . . . . 0.0 109.12 -179.132 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.563 ' H ' HD12 ' A' ' 20' ' ' LEU . 0.6 OUTLIER -70.11 -20.68 63.17 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 119.626 -0.83 . . . . 0.0 110.151 178.816 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.44 ' HA ' HG21 ' B' ' 22' ' ' ILE . . . -64.1 -35.07 79.57 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.452 0.644 . . . . 0.0 110.382 177.673 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.514 ' HG3' ' O ' ' A' ' 18' ' ' ARG . 95.4 mtt180 -84.75 -19.17 33.06 Favored 'General case' 0 CA--C 1.502 -0.883 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.019 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.511 ' HA ' ' CE2' ' A' ' 3' ' ' TYR . 14.0 t80 -73.88 -63.73 1.15 Allowed 'General case' 0 C--N 1.312 -1.03 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 178.071 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 31.2 t 65.68 -85.31 0.03 OUTLIER 'General case' 0 C--N 1.309 -1.171 0 CA-C-N 113.173 -1.83 . . . . 0.0 111.612 178.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.594 0 O-C-N 121.519 -0.738 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 . . . . . 0 N--CA 1.472 0.629 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' SER . . . . . 0.556 ' O ' ' HG2' ' B' ' 6' ' ' GLU . 5.9 m -73.8 117.41 15.55 Favored 'General case' 0 CA--C 1.503 -0.85 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 178.829 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 3' ' ' TRP . . . . . . . . . . . . . 82.0 m95 -60.48 -32.28 71.26 Favored 'General case' 0 C--N 1.282 -2.329 0 CA-C-N 114.91 -1.041 . . . . 0.0 112.934 -169.157 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 3.6 mpp? -64.88 -30.89 71.91 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.032 0.444 . . . . 0.0 110.879 179.348 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -111.03 9.53 22.1 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.8 -175.465 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.556 ' HG2' ' O ' ' B' ' 2' ' ' SER . 35.8 mm-40 -77.7 112.03 14.1 Favored 'General case' 0 N--CA 1.425 -1.701 0 CA-C-O 121.756 0.789 . . . . 0.0 111.405 179.269 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 7' ' ' VAL . . . . . 0.506 ' HA ' ' HA ' ' A' ' 16' ' ' THR . 5.9 p -145.46 133.13 15.94 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.75 0 CA-C-N 114.041 -1.436 . . . . 0.0 107.852 178.548 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.431 ' HB ' HD13 ' B' ' 10' ' ' LEU . 0.2 OUTLIER -141.61 159.22 21.69 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.582 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 -179.189 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -123.82 79.22 1.69 Allowed 'General case' 0 C--N 1.287 -2.142 0 CA-C-O 122.163 0.982 . . . . 0.0 110.314 176.127 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.431 HD13 ' HB ' ' B' ' 8' ' ' ILE . 8.7 mp -107.0 174.16 6.01 Favored 'General case' 0 CA--C 1.483 -1.617 0 CA-C-N 114.29 -1.323 . . . . 0.0 109.721 179.677 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 48.6 t -153.98 160.27 41.99 Favored 'General case' 0 C--N 1.28 -2.434 0 C-N-CA 120.342 -0.543 . . . . 0.0 109.898 -174.635 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 50.94 -121.95 12.54 Favored Glycine 0 C--N 1.302 -1.312 0 O-C-N 124.925 1.391 . . . . 0.0 114.206 179.07 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 80.1 mtm180 -63.8 -39.96 95.49 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-N 114.336 -0.932 . . . . 0.0 111.229 -177.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -66.69 -34.11 77.14 Favored 'General case' 0 CA--C 1.498 -1.022 0 CA-C-O 121.943 0.877 . . . . 0.0 109.599 -176.264 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.487 ' CD2' ' HA ' ' A' ' 7' ' ' ALA . 20.2 tp -68.17 -39.86 82.43 Favored 'General case' 0 C--N 1.295 -1.799 0 CA-C-N 114.579 -1.192 . . . . 0.0 109.693 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 86.9 t -66.93 -37.98 80.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 175.462 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 48.4 mtp85 -59.68 -44.28 93.67 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.076 177.217 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.18 -34.99 79.7 Favored 'General case' 0 C--N 1.32 -0.704 0 O-C-N 123.813 0.696 . . . . 0.0 110.531 178.008 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' GLN . . . . . 0.459 ' O ' HG22 ' B' ' 22' ' ' ILE . 20.5 mt-30 -64.87 -52.14 58.17 Favored 'General case' 0 C--N 1.314 -0.967 0 C-N-CA 123.512 0.725 . . . . 0.0 110.851 176.049 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 70.2 mt -60.92 -33.85 57.26 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.244 0 CA-C-O 121.4 0.619 . . . . 0.0 109.597 175.719 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.69 -34.46 76.95 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.649 177.769 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.459 HG22 ' O ' ' B' ' 19' ' ' GLN . 0.2 OUTLIER -82.14 -39.87 16.8 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.248 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 179.573 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 34.3 m -75.87 -24.33 55.71 Favored 'General case' 0 C--N 1.311 -1.105 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 -177.43 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -87.25 -11.18 69.9 Favored Glycine 0 C--N 1.293 -1.861 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.922 176.194 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 14.7 tpt -133.22 46.9 2.54 Favored 'General case' 0 C--N 1.311 -1.08 0 N-CA-C 106.235 -1.765 . . . . 0.0 106.235 178.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 3.7 p -80.04 69.45 6.42 Favored 'General case' 0 N--CA 1.429 -1.483 0 CA-C-N 114.611 -1.177 . . . . 0.0 113.142 -172.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 17.3 m -77.51 -42.04 37.07 Favored 'General case' 0 C--N 1.298 -1.657 0 CA-C-O 122.651 1.215 . . . . 0.0 108.978 176.514 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' TRP . . . . . . . . . . . . . 96.6 m95 -139.1 124.64 19.4 Favored 'General case' 0 C--N 1.27 -2.868 0 CA-C-N 113.141 -1.845 . . . . 0.0 109.507 178.127 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 36.3 m -111.7 87.6 2.59 Favored 'General case' 0 C--N 1.299 -1.591 0 CA-C-O 121.01 0.434 . . . . 0.0 109.888 178.654 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.31 -1.126 0 CA-C-N 116.469 -0.332 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.851 0 CA-C-O 122.424 1.107 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 98.5 mt -60.64 -46.52 90.0 Favored 'General case' 0 C--N 1.296 -1.741 0 CA-C-N 112.893 -1.958 . . . . 0.0 111.519 -178.173 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -79.81 -37.42 35.22 Favored 'General case' 0 N--CA 1.402 -2.864 0 C-N-CA 119.122 -1.031 . . . . 0.0 109.749 -176.649 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.4 m -57.32 -49.78 75.04 Favored 'General case' 0 N--CA 1.437 -1.086 0 CA-C-N 115.258 -0.883 . . . . 0.0 111.106 179.171 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.24 -41.78 89.54 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.325 -178.58 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 49.3 tp -63.38 -51.88 64.01 Favored 'General case' 0 CA--C 1.519 -0.238 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 178.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.487 ' HA ' ' CD2' ' B' ' 15' ' ' LEU . . . -54.07 -49.24 69.48 Favored 'General case' 0 CA--C 1.507 -0.684 0 O-C-N 123.9 0.75 . . . . 0.0 110.883 -178.813 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -61.07 -42.3 98.23 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.997 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -66.89 -48.55 68.39 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.411 -174.372 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 12.2 m -70.71 -33.4 70.83 Favored 'General case' 0 C--N 1.296 -1.725 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 -179.054 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.5 t -68.61 -33.62 74.36 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 116.145 -0.479 . . . . 0.0 109.72 -178.3 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 73.4 m80 -95.16 -61.7 1.43 Allowed 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -179.207 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.8 m -100.13 -50.47 10.57 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.226 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -175.51 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 131.16 161.39 10.23 Favored Glycine 0 N--CA 1.427 -1.928 0 N-CA-C 110.544 -1.022 . . . . 0.0 110.544 -179.27 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.0 p -142.45 158.95 43.14 Favored 'General case' 0 C--N 1.281 -2.38 0 CA-C-O 121.116 0.484 . . . . 0.0 109.782 -179.319 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.583 ' O ' HD12 ' A' ' 20' ' ' LEU . 23.3 p -80.12 150.34 30.28 Favored 'General case' 0 N--CA 1.387 -3.588 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.399 178.817 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.542 ' HB2' ' HB3' ' B' ' 6' ' ' GLU . 2.7 tppp? -60.59 -33.24 72.44 Favored 'General case' 0 C--N 1.297 -1.697 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 179.302 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 40.1 mtm105 -62.68 -31.38 72.26 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 114.204 -1.362 . . . . 0.0 109.86 176.607 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.455 ' O ' ' HD2' ' A' ' 23' ' ' PHE . 45.6 t -73.96 -46.17 45.64 Favored 'General case' 0 N--CA 1.428 -1.563 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.433 -179.517 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.583 HD12 ' O ' ' A' ' 16' ' ' THR . 1.4 mp -67.4 -30.01 69.67 Favored 'General case' 0 CA--C 1.489 -1.371 0 C-N-CA 118.995 -1.082 . . . . 0.0 108.688 178.128 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.65 -41.9 91.58 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 123.96 0.787 . . . . 0.0 112.147 178.628 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 24.5 ptt85 -78.19 -16.53 57.79 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.138 -0.625 . . . . 0.0 111.83 -178.544 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.455 ' HD2' ' O ' ' A' ' 19' ' ' SER . 68.0 m-85 -92.17 -43.04 9.56 Favored 'General case' 0 C--N 1.312 -1.024 0 C-N-CA 120.299 -0.56 . . . . 0.0 110.679 178.272 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 38.0 t -62.49 -72.9 0.12 Allowed 'General case' 0 C--N 1.299 -1.611 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.189 175.605 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.892 0 O-C-N 121.969 -0.457 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 . . . . . 0 CA--C 1.492 -1.25 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 8.7 m -104.07 142.2 34.88 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 178.478 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' TRP . . . . . 0.527 ' O ' ' HG3' ' A' ' 18' ' ' ARG . 5.4 m95 -93.06 -49.5 5.98 Favored 'General case' 0 C--N 1.282 -2.35 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.685 179.645 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 4' ' ' MET . . . . . 0.431 ' HA ' ' CD ' ' A' ' 18' ' ' ARG . 11.7 tmm? -67.96 -47.31 68.99 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.304 -172.161 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -125.92 85.99 2.47 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 119.328 -0.949 . . . . 0.0 111.349 179.505 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.591 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 21.0 tt0 -155.11 143.37 20.28 Favored 'General case' 0 C--N 1.283 -2.313 0 N-CA-C 104.131 -2.544 . . . . 0.0 104.131 172.214 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 4.2 p -141.83 128.77 20.09 Favored 'Isoleucine or valine' 0 C--N 1.262 -3.198 0 CA-C-O 121.729 0.776 . . . . 0.0 109.846 -176.115 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.482 ' HB ' HD13 ' B' ' 10' ' ' LEU . 27.8 pt -122.73 167.16 16.63 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.236 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.619 -178.066 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -135.52 76.65 1.63 Allowed 'General case' 0 C--N 1.278 -2.51 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 177.718 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.482 HD13 ' HB ' ' B' ' 8' ' ' ILE . 9.6 mp -115.33 175.67 5.41 Favored 'General case' 0 CA--C 1.481 -1.693 0 CA-C-N 114.165 -1.379 . . . . 0.0 109.384 -179.251 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 59.3 m -151.77 168.03 26.35 Favored 'General case' 0 C--N 1.284 -2.261 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 -175.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 43.68 -123.01 4.29 Favored Glycine 0 C--O 1.246 0.866 0 O-C-N 124.877 1.36 . . . . 0.0 116.214 171.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.524 ' O ' ' HG3' ' B' ' 17' ' ' ARG . 30.6 mmm180 -70.5 -32.26 69.68 Favored 'General case' 0 C--N 1.298 -1.644 0 CA-C-N 114.181 -1.009 . . . . 0.0 112.063 -177.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 14' ' ' GLU . . . . . 0.406 ' O ' HD23 ' B' ' 10' ' ' LEU . 46.1 mm-40 -64.67 -34.39 78.18 Favored 'General case' 0 CA--C 1.503 -0.836 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 178.48 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.546 ' O ' ' HG3' ' B' ' 19' ' ' GLN . 11.0 tp -66.9 -41.62 86.83 Favored 'General case' 0 N--CA 1.431 -1.389 0 CA-C-N 114.756 -1.111 . . . . 0.0 108.728 -178.416 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 54.0 t -67.79 -38.24 79.88 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.421 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.421 178.152 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' ARG . . . . . 0.524 ' HG3' ' O ' ' B' ' 13' ' ' ARG . 81.3 mtp180 -57.57 -42.35 82.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.214 0.53 . . . . 0.0 110.61 176.823 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 18' ' ' ALA . . . . . 0.514 ' O ' HG13 ' B' ' 22' ' ' ILE . . . -70.78 -41.26 71.94 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.09 179.438 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 19' ' ' GLN . . . . . 0.546 ' HG3' ' O ' ' B' ' 15' ' ' LEU . 37.1 mt-30 -56.92 -56.11 25.83 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.801 176.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 78.4 mt -55.93 -35.02 39.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.318 -0.856 . . . . 0.0 111.219 179.517 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.0 -33.22 75.53 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.059 0.457 . . . . 0.0 110.451 177.143 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.518 HG12 ' CZ3' ' B' ' 3' ' ' TRP . 53.6 mt -76.48 -35.79 27.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 177.115 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 23' ' ' CYS . . . . . 0.447 ' HA ' ' OG ' ' B' ' 26' ' ' SER . 9.5 m -74.17 -23.61 59.27 Favored 'General case' 0 C--O 1.24 0.568 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.144 -179.391 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -78.01 -20.16 73.63 Favored Glycine 0 C--N 1.298 -1.544 0 N-CA-C 111.367 -0.693 . . . . 0.0 111.367 174.529 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 26.0 mmt -119.24 30.68 7.0 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.348 0.594 . . . . 0.0 110.991 -178.075 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' SER . . . . . 0.447 ' OG ' ' HA ' ' B' ' 23' ' ' CYS . 65.5 m -80.82 37.08 0.41 Allowed 'General case' 0 C--N 1.311 -1.089 0 CA-C-O 121.154 0.502 . . . . 0.0 112.031 -178.354 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 27' ' ' THR . . . . . 0.427 ' HB ' ' CE3' ' B' ' 28' ' ' TRP . 5.8 m -81.15 -18.01 47.81 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-O 122.705 1.24 . . . . 0.0 109.385 179.687 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 28' ' ' TRP . . . . . 0.427 ' CE3' ' HB ' ' B' ' 27' ' ' THR . 48.8 p90 -141.14 145.42 35.71 Favored 'General case' 0 C--N 1.279 -2.464 0 CA-C-N 113.811 -1.541 . . . . 0.0 108.613 177.647 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 4.9 p -96.73 92.27 6.1 Favored 'General case' 0 C--N 1.292 -1.9 0 CA-C-O 121.168 0.509 . . . . 0.0 110.513 178.479 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.07 0 CA-C-N 116.466 -0.333 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.816 0 CA-C-O 120.346 0.117 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 81.8 mt -63.9 -35.43 80.61 Favored 'General case' 0 CA--C 1.479 -1.78 0 N-CA-C 112.836 0.68 . . . . 0.0 112.836 -175.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -73.0 -38.35 66.64 Favored 'General case' 0 N--CA 1.409 -2.498 0 C-N-CA 118.223 -1.391 . . . . 0.0 110.553 178.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.4 t -63.9 -39.51 94.34 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 179.543 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.47 -42.14 95.64 Favored 'General case' 0 C--O 1.24 0.559 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.879 177.586 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 53.0 tp -61.17 -45.92 92.63 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 177.29 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.466 ' HA ' ' CD2' ' B' ' 15' ' ' LEU . . . -57.48 -45.46 84.81 Favored 'General case' 0 C--O 1.24 0.578 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.553 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -64.38 -48.93 73.57 Favored 'General case' 0 CA--C 1.507 -0.688 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.091 177.126 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -59.31 -52.65 64.73 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.712 -173.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 41.7 m -65.39 -30.71 71.55 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-O 120.593 0.235 . . . . 0.0 110.822 -179.628 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.6 t -79.84 -31.3 40.51 Favored 'General case' 0 N--CA 1.427 -1.598 0 C-N-CA 120.244 -0.582 . . . . 0.0 111.356 -177.067 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -85.97 -51.76 6.15 Favored 'General case' 0 CA--C 1.508 -0.65 0 CA-C-O 121.149 0.499 . . . . 0.0 112.033 -179.453 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.8 m -116.32 -44.99 3.79 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.658 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.893 -176.501 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 127.41 173.84 13.6 Favored Glycine 0 C--N 1.291 -1.965 0 N-CA-C 110.09 -1.204 . . . . 0.0 110.09 178.49 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.2 p -151.72 160.94 43.41 Favored 'General case' 0 C--N 1.286 -2.196 0 CA-C-N 116.972 0.386 . . . . 0.0 110.292 -178.214 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.451 ' O ' ' HB3' ' A' ' 19' ' ' SER . 30.2 p -81.44 157.93 24.75 Favored 'General case' 0 N--CA 1.398 -3.031 0 CA-C-O 121.536 0.684 . . . . 0.0 109.472 178.216 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.591 ' HB2' ' HB3' ' B' ' 6' ' ' GLU . 9.7 tptm -65.53 -28.98 69.56 Favored 'General case' 0 C--N 1.271 -2.805 0 N-CA-C 108.482 -0.932 . . . . 0.0 108.482 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.527 ' HG3' ' O ' ' B' ' 3' ' ' TRP . 54.3 mtm180 -61.69 -30.94 71.07 Favored 'General case' 0 N--CA 1.488 1.469 0 CA-C-O 121.278 0.561 . . . . 0.0 111.096 170.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.451 ' HB3' ' O ' ' A' ' 16' ' ' THR . 29.6 t -69.71 -40.93 75.98 Favored 'General case' 0 N--CA 1.426 -1.636 0 CA-C-N 115.393 -0.821 . . . . 0.0 108.796 -177.229 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.489 ' HB3' ' HG2' ' B' ' 19' ' ' GLN . 1.5 mp -77.48 -35.14 53.97 Favored 'General case' 0 C--O 1.199 -1.594 0 C-N-CA 118.781 -1.167 . . . . 0.0 109.289 174.609 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.07 -32.19 67.79 Favored 'General case' 0 N--CA 1.485 1.291 0 N-CA-C 113.245 0.832 . . . . 0.0 113.245 -176.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.405 ' HG2' ' O ' ' A' ' 19' ' ' SER . 18.0 ptp180 -74.97 -18.57 60.36 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.095 0.474 . . . . 0.0 111.507 179.171 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -97.43 -55.12 2.93 Favored 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 175.38 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 43.0 t -154.32 98.9 2.17 Favored 'General case' 0 C--N 1.289 -2.056 0 CA-C-N 114.188 -1.369 . . . . 0.0 108.388 177.496 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.309 -1.156 0 CA-C-N 116.499 -0.319 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 . . . . . 0 CA--C 1.49 -1.361 0 CA-C-O 120.812 0.339 . . . . 0.0 110.305 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' SER . . . . . 0.409 ' O ' ' HB2' ' B' ' 6' ' ' GLU . 2.3 m -89.82 119.78 30.5 Favored 'General case' 0 N--CA 1.423 -1.823 0 N-CA-C 104.569 -2.382 . . . . 0.0 104.569 171.364 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 3' ' ' TRP . . . . . . . . . . . . . 64.4 m95 -93.07 -26.56 17.42 Favored 'General case' 0 C--N 1.262 -3.208 0 N-CA-C 113.259 0.837 . . . . 0.0 113.259 -172.52 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 73.1 mtm -81.91 -45.25 15.7 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 120.094 -0.642 . . . . 0.0 110.388 179.458 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -135.87 109.34 7.92 Favored 'General case' 0 C--N 1.305 -1.331 0 C-N-CA 120.749 -0.381 . . . . 0.0 111.051 178.202 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.606 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 23.8 tt0 -156.45 148.87 23.48 Favored 'General case' 0 C--N 1.315 -0.934 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 174.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 9.7 p -142.84 138.97 27.97 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.221 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -178.227 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.415 HD12 ' CD ' ' A' ' 17' ' ' LYS . 0.2 OUTLIER -141.19 169.11 15.17 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.201 0 N-CA-C 108.525 -0.916 . . . . 0.0 108.525 -179.014 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -125.93 86.06 2.48 Favored 'General case' 0 C--N 1.308 -1.233 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 177.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 8.8 mp -120.01 173.06 7.3 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.016 -177.383 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 16.7 m -149.85 160.57 43.47 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 -179.102 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 45.43 -120.66 4.29 Favored Glycine 0 CA--C 1.505 -0.557 0 N-CA-C 116.15 1.22 . . . . 0.0 116.15 172.505 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -58.23 -35.08 71.16 Favored 'General case' 0 C--N 1.31 -1.111 0 C-N-CA 124.712 1.205 . . . . 0.0 111.204 -178.22 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -68.23 -36.62 79.78 Favored 'General case' 0 N--CA 1.44 -0.958 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 -179.44 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 96.3 mt -62.53 -41.3 98.78 Favored 'General case' 0 C--O 1.215 -0.72 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.856 176.631 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 59.0 t -66.39 -43.41 91.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 179.368 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 82.9 mtt180 -57.01 -43.44 81.79 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.632 176.183 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' ALA . . . . . 0.573 ' O ' HG13 ' B' ' 22' ' ' ILE . . . -67.01 -46.23 75.13 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.605 178.516 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 19' ' ' GLN . . . . . 0.414 ' HG2' ' HB3' ' A' ' 20' ' ' LEU . 84.5 mt-30 -56.42 -55.79 29.27 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 124.222 1.009 . . . . 0.0 111.259 177.602 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 47.1 mm -59.46 -34.42 54.49 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.036 178.296 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.95 -39.13 93.72 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-O 120.929 0.395 . . . . 0.0 110.261 177.355 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.573 HG13 ' O ' ' B' ' 18' ' ' ALA . 68.1 mt -69.89 -37.51 73.21 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.945 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.828 179.693 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 9.1 m -74.82 -22.97 58.41 Favored 'General case' 0 C--N 1.308 -1.196 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 179.463 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.77 -39.33 10.57 Favored Glycine 0 C--N 1.294 -1.76 0 C-N-CA 120.61 -0.805 . . . . 0.0 111.154 174.102 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 86.4 mtp -125.46 72.24 1.25 Allowed 'General case' 0 C--N 1.315 -0.927 0 CA-C-O 121.754 0.788 . . . . 0.0 109.037 -176.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 11.8 m -81.66 8.78 9.03 Favored 'General case' 0 C--N 1.301 -1.541 0 CA-C-N 114.914 -1.039 . . . . 0.0 111.471 179.483 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 19.4 p -139.01 140.4 38.14 Favored 'General case' 0 N--CA 1.404 -2.769 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 -176.023 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 28' ' ' TRP . . . . . . . . . . . . . 58.2 t90 -66.72 121.93 16.52 Favored 'General case' 0 C--N 1.29 -1.988 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.711 -177.663 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 21.3 m -102.05 -76.09 0.58 Allowed 'General case' 0 C--N 1.305 -1.363 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.378 179.391 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.799 0 O-C-N 122.125 -0.36 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.1 0 CA-C-O 120.347 0.117 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 94.5 mt -64.83 -32.7 74.52 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 122.431 0.292 . . . . 0.0 111.379 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.437 ' CE1' ' HB3' ' A' ' 23' ' ' PHE . 26.5 m-85 -57.5 -47.88 80.75 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-O 120.903 0.382 . . . . 0.0 111.085 174.178 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 17.2 t -71.16 -33.38 69.98 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.133 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.13 -49.86 75.54 Favored 'General case' 0 C--O 1.221 -0.405 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 177.177 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.7 tp -57.68 -47.33 82.63 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.067 176.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.02 -53.3 59.8 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.5 -179.411 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -63.89 -43.97 94.41 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.315 -179.499 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -56.75 -50.22 72.89 Favored 'General case' 0 CA--C 1.488 -1.44 0 O-C-N 123.15 0.281 . . . . 0.0 111.532 178.16 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.482 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 4.2 t -68.62 -31.15 70.1 Favored 'General case' 0 C--N 1.296 -1.757 0 O-C-N 123.547 0.529 . . . . 0.0 110.269 -175.394 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 8.5 t -77.21 -32.6 56.04 Favored 'General case' 0 N--CA 1.424 -1.748 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.231 -177.723 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 35.9 m-70 -91.24 -53.75 4.22 Favored 'General case' 0 CA--C 1.515 -0.404 0 N-CA-C 113.175 0.805 . . . . 0.0 113.175 -178.517 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.9 m -111.4 -45.51 5.72 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.617 0 CA-C-O 121.507 0.67 . . . . 0.0 111.866 -176.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.482 ' C ' ' HA ' ' A' ' 10' ' ' CYS . . . 139.26 164.73 10.0 Favored Glycine 0 C--N 1.284 -2.334 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.686 177.544 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.499 ' SG ' HD11 ' A' ' 20' ' ' LEU . 28.9 p -134.15 163.19 30.15 Favored 'General case' 0 C--N 1.29 -1.982 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 -179.384 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.52 ' O ' HD12 ' A' ' 20' ' ' LEU . 12.4 p -97.83 145.28 26.56 Favored 'General case' 0 N--CA 1.409 -2.479 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.656 179.691 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.606 ' HB2' ' HB3' ' B' ' 6' ' ' GLU . 1.2 tptm -59.26 -35.85 74.45 Favored 'General case' 0 C--N 1.297 -1.694 0 CA-C-N 115.578 -0.737 . . . . 0.0 112.083 -175.516 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 43.8 mtp180 -67.43 -26.51 66.45 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 121.485 0.66 . . . . 0.0 110.054 176.44 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.2 t -73.87 -33.44 64.06 Favored 'General case' 0 N--CA 1.424 -1.748 0 CA-C-N 115.569 -0.742 . . . . 0.0 109.373 -177.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.52 HD12 ' O ' ' A' ' 16' ' ' THR . 1.5 mp -79.3 -31.02 43.14 Favored 'General case' 0 CA--C 1.504 -0.806 0 C-N-CA 118.392 -1.323 . . . . 0.0 108.517 173.573 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.68 -36.63 76.86 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.243 -0.889 . . . . 0.0 112.612 -179.007 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 35.3 ptt180 -72.96 -19.48 61.22 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -179.686 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.437 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 92.9 m-85 -104.14 -65.69 1.01 Allowed 'General case' 0 C--N 1.315 -0.93 0 CA-C-O 120.969 0.414 . . . . 0.0 110.573 179.269 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 41.8 t 58.91 -90.12 0.03 OUTLIER 'General case' 0 C--N 1.309 -1.157 0 C-N-CA 125.258 1.423 . . . . 0.0 111.761 -177.635 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.313 -0.998 0 O-C-N 121.751 -0.593 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' ASP . . . . . 0.508 ' HA ' ' OE2' ' B' ' 6' ' ' GLU . 5.3 p-10 . . . . . 0 CA--C 1.506 -0.746 0 CA-C-O 121.117 0.484 . . . . 0.0 110.416 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 13.5 m -136.41 137.33 40.39 Favored 'General case' 0 C--N 1.295 -1.799 0 N-CA-C 104.781 -2.303 . . . . 0.0 104.781 170.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' TRP . . . . . 0.515 ' O ' ' HG3' ' A' ' 18' ' ' ARG . 10.3 m95 -92.98 -47.13 7.15 Favored 'General case' 0 C--N 1.276 -2.602 0 C-N-CA 119.334 -0.947 . . . . 0.0 112.694 -176.836 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 97.4 mmm -66.01 -46.98 75.99 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 -173.619 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -135.92 85.84 2.19 Favored 'General case' 0 N--CA 1.43 -1.43 0 C-N-CA 119.592 -0.843 . . . . 0.0 111.819 176.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.508 ' OE2' ' HA ' ' B' ' 1' ' ' ASP . 30.5 tt0 -129.41 146.55 51.25 Favored 'General case' 0 C--N 1.292 -1.906 0 N-CA-C 104.404 -2.443 . . . . 0.0 104.404 171.762 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 5.9 p -144.43 139.38 23.96 Favored 'Isoleucine or valine' 0 C--N 1.26 -3.302 0 O-C-N 123.806 0.692 . . . . 0.0 109.651 -173.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.419 ' HB ' HD13 ' B' ' 10' ' ' LEU . 31.0 pt -134.21 169.65 21.24 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.144 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 -179.267 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -140.16 70.61 1.36 Allowed 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 107.721 -1.214 . . . . 0.0 107.721 176.417 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.517 ' O ' HD13 ' B' ' 15' ' ' LEU . 9.4 mp -107.4 176.02 5.3 Favored 'General case' 0 C--N 1.293 -1.851 0 CA-C-N 114.628 -1.169 . . . . 0.0 109.562 179.594 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 83.4 m -154.49 166.27 33.81 Favored 'General case' 0 C--N 1.286 -2.152 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 -176.653 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 53.16 -128.89 38.92 Favored Glycine 0 CA--C 1.495 -1.186 0 O-C-N 124.227 0.955 . . . . 0.0 114.299 174.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.618 ' O ' ' HG3' ' B' ' 17' ' ' ARG . 41.0 mmt180 -71.41 -28.0 63.7 Favored 'General case' 0 C--N 1.3 -1.564 0 CA-C-N 114.685 -0.758 . . . . 0.0 111.499 -177.457 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -75.23 -28.71 60.0 Favored 'General case' 0 CA--C 1.498 -1.057 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 -178.477 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.517 HD13 ' O ' ' B' ' 10' ' ' LEU . 18.1 tp -67.12 -41.13 86.73 Favored 'General case' 0 N--CA 1.431 -1.415 0 CA-C-N 114.965 -1.016 . . . . 0.0 108.269 177.606 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 16' ' ' VAL . . . . . 0.465 ' O ' HG13 ' B' ' 20' ' ' ILE . 44.7 t -68.9 -36.66 75.13 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.989 0 CA-C-N 115.048 -0.978 . . . . 0.0 109.693 178.753 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 17' ' ' ARG . . . . . 0.618 ' HG3' ' O ' ' B' ' 13' ' ' ARG . 91.1 mtt-85 -55.57 -46.26 77.23 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-O 121.253 0.549 . . . . 0.0 110.837 176.449 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.82 -39.91 79.77 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.59 178.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 19' ' ' GLN . . . . . 0.471 ' HG2' ' HB3' ' A' ' 20' ' ' LEU . 42.5 mt-30 -59.71 -55.25 36.69 Favored 'General case' 0 C--O 1.206 -1.197 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.32 177.244 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 20' ' ' ILE . . . . . 0.465 HG13 ' O ' ' B' ' 16' ' ' VAL . 81.0 mt -50.97 -44.36 27.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 123.833 0.853 . . . . 0.0 110.689 179.635 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.25 -44.38 95.3 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.818 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.451 HD12 ' HB2' ' A' ' 21' ' ' ALA . 0.4 OUTLIER -78.79 -24.72 13.18 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.858 0 CA-C-O 122.106 0.955 . . . . 0.0 109.957 -178.188 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 2.5 t -75.55 -22.31 57.15 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -98.78 7.95 61.3 Favored Glycine 0 N--CA 1.435 -1.38 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 174.267 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' MET . . . . . 0.548 ' SD ' ' HB2' ' B' ' 29' ' ' SER . 22.0 mmt -129.08 71.44 1.43 Allowed 'General case' 0 CA--C 1.493 -1.233 0 CA-C-O 121.972 0.891 . . . . 0.0 109.714 179.73 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 23.5 m -96.47 17.37 16.29 Favored 'General case' 0 C--N 1.285 -2.227 0 CA-C-N 114.511 -1.222 . . . . 0.0 109.533 178.065 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 15.6 p -127.17 -178.76 4.55 Favored 'General case' 0 N--CA 1.398 -3.055 0 N-CA-C 107.121 -1.437 . . . . 0.0 107.121 178.441 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 28' ' ' TRP . . . . . . . . . . . . . 44.5 t90 -93.78 69.23 4.0 Favored 'General case' 0 C--N 1.275 -2.671 0 CA-C-O 121.918 0.866 . . . . 0.0 109.984 -178.587 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.548 ' HB2' ' SD ' ' B' ' 25' ' ' MET . 26.3 m -125.8 76.52 1.59 Allowed 'General case' 0 C--N 1.307 -1.254 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.571 177.789 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.309 -1.169 0 CA-C-N 116.081 -0.509 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.717 0 CA-C-O 122.418 1.104 . . . . 0.0 109.938 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 90.9 mt -78.02 -38.08 45.56 Favored 'General case' 0 C--N 1.289 -2.057 0 CA-C-N 113.666 -1.606 . . . . 0.0 111.032 -176.082 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.492 ' CE1' ' HB3' ' A' ' 23' ' ' PHE . 57.1 m-85 -69.4 -43.17 74.02 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-O 120.95 0.405 . . . . 0.0 110.229 176.727 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 18.7 m -59.39 -36.16 75.28 Favored 'General case' 0 C--N 1.303 -1.455 0 CA-C-N 115.118 -0.947 . . . . 0.0 110.577 175.108 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.17 -43.56 81.92 Favored 'General case' 0 CA--C 1.519 -0.23 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 176.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.441 HD21 ' HA ' ' A' ' 20' ' ' LEU . 50.0 tp -57.51 -50.34 73.38 Favored 'General case' 0 CA--C 1.528 0.104 0 CA-C-N 115.595 -0.729 . . . . 0.0 109.749 177.61 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.71 -48.06 75.8 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.351 179.262 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -58.63 -43.43 89.71 Favored 'General case' 0 C--O 1.215 -0.756 0 CA-C-N 114.893 -1.049 . . . . 0.0 111.147 178.465 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.8 mmtm -65.82 -52.33 51.53 Favored 'General case' 0 C--N 1.313 -1.021 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 179.103 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 34.1 m -64.85 -35.66 81.85 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 123.198 0.311 . . . . 0.0 111.289 -177.182 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.5 t -78.86 -30.14 44.94 Favored 'General case' 0 N--CA 1.432 -1.351 0 C-N-CA 120.335 -0.546 . . . . 0.0 110.472 -176.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 15.3 m170 -81.83 -56.94 3.66 Favored 'General case' 0 CA--C 1.503 -0.856 0 C-N-CA 120.455 -0.498 . . . . 0.0 111.809 179.742 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.3 m -118.59 -42.07 2.49 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.511 0 CA-C-O 121.711 0.767 . . . . 0.0 111.981 -174.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 133.08 176.37 14.37 Favored Glycine 0 N--CA 1.416 -2.692 0 N-CA-C 109.912 -1.275 . . . . 0.0 109.912 178.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.3 p -153.58 160.98 42.6 Favored 'General case' 0 C--N 1.284 -2.254 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 -179.262 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.447 ' O ' HD22 ' A' ' 20' ' ' LEU . 45.1 p -80.91 156.87 25.82 Favored 'General case' 0 N--CA 1.399 -3.022 0 CA-C-O 121.953 0.882 . . . . 0.0 109.932 178.217 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.417 ' HD3' HD23 ' A' ' 20' ' ' LEU . 1.5 tppp? -66.1 -32.02 73.23 Favored 'General case' 0 C--N 1.272 -2.789 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.178 179.457 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.515 ' HG3' ' O ' ' B' ' 3' ' ' TRP . 47.3 mtm105 -70.6 -20.59 62.75 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.701 172.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.1 t -72.92 -38.27 66.91 Favored 'General case' 0 N--CA 1.439 -1.002 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.471 ' HB3' ' HG2' ' B' ' 19' ' ' GLN . 0.7 OUTLIER -72.04 -44.17 63.78 Favored 'General case' 0 CA--C 1.489 -1.376 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 173.396 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.501 ' HB3' ' HA ' ' A' ' 18' ' ' ARG . . . -51.97 -33.97 40.26 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 114.285 1.217 . . . . 0.0 114.285 -177.377 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.4 ptt180 -77.93 -6.15 53.45 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 112.419 0.525 . . . . 0.0 112.419 -178.656 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.492 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 95.3 m-85 -114.57 -58.99 2.08 Favored 'General case' 0 C--N 1.307 -1.274 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 175.118 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 51.9 t -165.97 93.61 0.54 Allowed 'General case' 0 C--N 1.291 -1.973 0 N-CA-C 107.402 -1.333 . . . . 0.0 107.402 177.685 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.299 -1.61 0 CA-C-N 115.667 -0.697 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 . . . . . 0 N--CA 1.475 0.793 0 CA-C-O 120.839 0.352 . . . . 0.0 111.279 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 20.0 m -70.38 151.95 44.64 Favored 'General case' 0 C--N 1.293 -1.865 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 178.453 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' TRP . . . . . . . . . . . . . 22.9 m95 -92.01 -49.48 6.19 Favored 'General case' 0 C--N 1.298 -1.644 0 C-N-CA 120.274 -0.57 . . . . 0.0 112.225 -179.652 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 74.1 mtm -60.23 -46.9 88.18 Favored 'General case' 0 CA--C 1.514 -0.433 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -174.744 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -136.34 121.03 18.42 Favored 'General case' 0 N--CA 1.426 -1.643 0 C-N-CA 120.54 -0.464 . . . . 0.0 109.765 175.317 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.557 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 6.4 tp10 -166.92 150.89 6.9 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 106.924 -1.51 . . . . 0.0 106.924 176.575 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.4 p -151.58 132.95 4.92 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.643 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.136 -178.737 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -135.65 161.61 38.45 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.525 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 179.715 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 14.7 ptmm? -122.22 83.36 2.09 Favored 'General case' 0 C--N 1.31 -1.152 0 CA-C-O 122.3 1.048 . . . . 0.0 111.279 177.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.401 HD23 ' HB3' ' B' ' 14' ' ' GLU . 8.6 mp -107.8 175.56 5.44 Favored 'General case' 0 C--N 1.296 -1.754 0 CA-C-N 114.741 -1.118 . . . . 0.0 110.059 -178.696 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 29.1 m -147.37 164.58 32.85 Favored 'General case' 0 C--N 1.293 -1.856 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 -179.099 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 48.0 -125.66 12.66 Favored Glycine 0 C--O 1.259 1.678 0 N-CA-C 116.084 1.193 . . . . 0.0 116.084 173.308 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 21.9 mmt180 -71.71 -18.96 62.12 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-N 114.123 -1.038 . . . . 0.0 112.74 -177.178 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' GLU . . . . . 0.401 ' HB3' HD23 ' B' ' 10' ' ' LEU . 62.8 mm-40 -70.68 -34.62 72.17 Favored 'General case' 0 N--CA 1.444 -0.771 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 176.392 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 80.9 mt -63.94 -41.86 97.5 Favored 'General case' 0 CA--C 1.503 -0.843 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.977 175.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 49.0 t -66.56 -44.26 90.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 179.264 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -58.68 -38.86 79.13 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.188 177.263 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 18' ' ' ALA . . . . . 0.632 ' O ' HG13 ' B' ' 22' ' ' ILE . . . -66.2 -55.15 17.66 Favored 'General case' 0 C--N 1.307 -1.27 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.622 176.194 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 19' ' ' GLN . . . . . 0.485 ' CG ' ' HB3' ' A' ' 20' ' ' LEU . 56.4 mt-30 -50.05 -56.27 11.46 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.065 1.346 . . . . 0.0 112.621 -179.625 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 51.8 mm -61.07 -39.05 80.99 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.013 -179.27 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.34 -29.73 67.61 Favored 'General case' 0 C--O 1.22 -0.483 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.157 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.632 HG13 ' O ' ' B' ' 18' ' ' ALA . 79.3 mt -64.98 -46.37 91.81 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.578 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 177.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 59.0 m -73.86 -23.38 59.6 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 121.765 0.793 . . . . 0.0 111.02 -178.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.06 -39.0 59.37 Favored Glycine 0 C--N 1.291 -1.946 0 CA-C-N 115.035 -0.984 . . . . 0.0 111.237 173.39 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 72.4 mtm -99.4 24.34 8.2 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 112.818 0.673 . . . . 0.0 112.818 -176.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 68.9 m -85.51 33.93 0.57 Allowed 'General case' 0 C--N 1.294 -1.83 0 CA-C-O 121.798 0.809 . . . . 0.0 110.029 177.485 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 27' ' ' THR . . . . . 0.47 ' HB ' ' CE3' ' B' ' 28' ' ' TRP . 7.9 m -76.5 -15.96 59.76 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-O 122.635 1.207 . . . . 0.0 108.875 178.8 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 28' ' ' TRP . . . . . 0.47 ' CE3' ' HB ' ' B' ' 27' ' ' THR . 44.2 p90 -142.75 148.75 37.75 Favored 'General case' 0 C--N 1.283 -2.322 0 CA-C-N 113.461 -1.7 . . . . 0.0 106.825 175.529 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 21.3 m -112.79 93.23 4.32 Favored 'General case' 0 C--N 1.297 -1.709 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 -177.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.287 0 CA-C-N 116.582 -0.281 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.661 0 CA-C-O 122.299 1.047 . . . . 0.0 109.29 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.528 ' HG ' ' CE2' ' A' ' 23' ' ' PHE . 57.7 tp -58.42 -52.48 65.43 Favored 'General case' 0 C--N 1.301 -1.51 0 CA-C-N 112.721 -2.036 . . . . 0.0 111.736 -175.625 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -67.97 -46.8 70.37 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.146 -177.577 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 17.5 m -57.73 -33.35 68.35 Favored 'General case' 0 C--N 1.298 -1.632 0 CA-C-N 114.831 -1.077 . . . . 0.0 111.737 177.508 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.1 -43.92 77.37 Favored 'General case' 0 C--O 1.24 0.604 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 177.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 65.8 tp -61.84 -40.3 94.84 Favored 'General case' 0 CA--C 1.518 -0.261 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 176.446 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.42 -52.26 66.09 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 115.188 -0.914 . . . . 0.0 110.983 178.311 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -60.04 -49.06 79.15 Favored 'General case' 0 C--O 1.218 -0.586 0 O-C-N 123.322 0.389 . . . . 0.0 110.931 179.512 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 44.8 tttp -60.01 -44.96 94.22 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.29 -177.009 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.542 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 10.0 t -71.36 -32.77 68.9 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.196 -178.764 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.7 t -74.67 -30.53 61.62 Favored 'General case' 0 N--CA 1.427 -1.576 0 CA-C-N 116.3 -0.409 . . . . 0.0 109.979 -178.657 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 34.9 m80 -83.28 -57.97 3.04 Favored 'General case' 0 CA--C 1.514 -0.417 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 178.464 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.0 m -112.32 -51.75 5.67 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.434 0 CA-C-O 121.337 0.589 . . . . 0.0 111.561 -176.62 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.542 ' C ' ' HA ' ' A' ' 10' ' ' CYS . . . 150.54 174.28 21.48 Favored Glycine 0 N--CA 1.418 -2.513 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 178.397 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.479 ' SG ' HD11 ' A' ' 20' ' ' LEU . 14.2 p -137.37 150.99 48.1 Favored 'General case' 0 C--N 1.283 -2.324 0 CA-C-O 120.895 0.378 . . . . 0.0 110.432 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.604 ' O ' HD12 ' A' ' 20' ' ' LEU . 19.4 p -85.8 144.27 27.83 Favored 'General case' 0 N--CA 1.402 -2.834 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.36 179.665 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.557 ' HB2' ' HB3' ' B' ' 6' ' ' GLU . 39.5 tptt -61.02 -37.84 83.99 Favored 'General case' 0 C--N 1.289 -2.053 0 C-N-CA 123.622 0.769 . . . . 0.0 110.539 -173.487 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 71.7 mtp180 -68.83 -23.54 64.27 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.021 0.439 . . . . 0.0 110.969 177.196 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.0 t -75.04 -43.15 55.21 Favored 'General case' 0 N--CA 1.426 -1.647 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 178.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.604 HD12 ' O ' ' A' ' 16' ' ' THR . 1.6 mp -70.54 -28.29 64.81 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 118.907 -1.117 . . . . 0.0 109.109 176.547 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.523 ' HB2' HG21 ' B' ' 22' ' ' ILE . . . -63.75 -38.81 92.5 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.548 176.836 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.9 tpm_? -67.15 -30.89 70.99 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 114.876 -1.056 . . . . 0.0 110.276 178.561 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.528 ' CE2' ' HG ' ' A' ' 2' ' ' LEU . 3.4 m-85 -84.95 -63.97 1.24 Allowed 'General case' 0 C--N 1.296 -1.754 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.498 -178.747 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.6 t 66.34 -72.01 0.09 Allowed 'General case' 0 C--N 1.306 -1.283 0 C-N-CA 124.973 1.309 . . . . 0.0 113.009 177.039 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.906 0 O-C-N 121.587 -0.696 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 N--CA 1.479 0.995 0 N-CA-C 113.552 0.945 . . . . 0.0 113.552 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 73.7 m -61.09 -30.48 70.38 Favored 'General case' 0 N--CA 1.484 1.234 0 CA-C-O 122.267 1.032 . . . . 0.0 112.277 179.665 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' TRP . . . . . 0.501 ' HE1' ' HB2' ' B' ' 28' ' ' TRP . 29.6 p-90 -91.31 -8.49 48.06 Favored 'General case' 0 C--N 1.266 -3.065 0 CA-C-N 113.586 -1.643 . . . . 0.0 111.503 -179.522 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 4' ' ' MET . . . . . 0.522 ' HG2' ' HB3' ' A' ' 18' ' ' ARG . 28.1 ttt -82.75 -17.67 43.42 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 121.501 0.667 . . . . 0.0 110.551 -172.642 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.442 ' OE1' ' HD2' ' A' ' 18' ' ' ARG . 7.7 mm-40 -88.4 15.59 7.6 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 115.063 -0.971 . . . . 0.0 111.136 179.6 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -81.07 157.76 25.29 Favored 'General case' 0 N--CA 1.414 -2.272 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 -177.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' VAL . . . . . 0.41 ' HA ' ' HA ' ' A' ' 16' ' ' THR . 7.6 p -131.62 138.58 52.61 Favored 'Isoleucine or valine' 0 C--N 1.26 -3.315 0 CA-C-N 114.596 -1.183 . . . . 0.0 107.89 178.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 32.2 pt -137.3 172.43 14.78 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 -178.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -137.13 82.24 1.92 Allowed 'General case' 0 C--N 1.298 -1.66 0 CA-C-O 121.911 0.862 . . . . 0.0 109.163 176.707 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.575 HD23 ' HB3' ' B' ' 14' ' ' GLU . 9.2 mp -119.24 175.68 5.68 Favored 'General case' 0 C--N 1.305 -1.351 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.931 -178.255 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 35.1 m -147.52 162.51 38.92 Favored 'General case' 0 C--N 1.3 -1.584 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.078 -178.645 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 47.46 -121.13 6.28 Favored Glycine 0 C--O 1.244 0.781 0 N-CA-C 115.791 1.076 . . . . 0.0 115.791 172.766 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.519 ' O ' ' HG2' ' B' ' 17' ' ' ARG . 31.5 ttm180 -66.87 -28.94 68.74 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-N 114.014 -1.093 . . . . 0.0 111.576 -176.752 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 14' ' ' GLU . . . . . 0.575 ' HB3' HD23 ' B' ' 10' ' ' LEU . 7.8 mp0 -71.26 -31.36 67.42 Favored 'General case' 0 CA--C 1.519 -0.242 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 179.588 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 98.2 mt -64.34 -41.1 96.95 Favored 'General case' 0 CA--C 1.502 -0.882 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 174.583 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 16' ' ' VAL . . . . . 0.511 ' O ' HG12 ' B' ' 20' ' ' ILE . 45.1 t -64.99 -41.81 93.09 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.775 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.306 178.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 17' ' ' ARG . . . . . 0.519 ' HG2' ' O ' ' B' ' 13' ' ' ARG . 38.9 mmt180 -53.36 -54.16 40.64 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.449 176.313 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.36 -37.62 84.03 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.695 -179.312 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 19' ' ' GLN . . . . . 0.657 ' O ' HG22 ' B' ' 22' ' ' ILE . 53.1 mt-30 -66.68 -52.19 47.55 Favored 'General case' 0 C--N 1.313 -1.006 0 C-N-CA 123.964 0.906 . . . . 0.0 111.556 177.569 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 20' ' ' ILE . . . . . 0.511 HG12 ' O ' ' B' ' 16' ' ' VAL . 46.2 mm -64.27 -37.97 81.29 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.744 0 CA-C-O 121.02 0.438 . . . . 0.0 110.08 179.205 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.76 -33.4 70.75 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.14 179.59 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.657 HG22 ' O ' ' B' ' 19' ' ' GLN . 7.7 tt -66.1 -38.6 82.36 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.276 0 CA-C-O 121.166 0.508 . . . . 0.0 109.667 -178.841 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 93.1 m -81.13 -24.18 37.81 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.437 0.637 . . . . 0.0 111.552 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.67 -18.36 66.09 Favored Glycine 0 C--N 1.292 -1.892 0 CA-C-N 115.433 -0.803 . . . . 0.0 112.625 177.236 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 57.7 ttm -136.06 74.66 1.51 Allowed 'General case' 0 N--CA 1.43 -1.452 0 CA-C-O 122.492 1.139 . . . . 0.0 109.774 179.668 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 49.1 m -108.87 45.61 1.03 Allowed 'General case' 0 C--N 1.278 -2.517 0 CA-C-N 114.049 -1.432 . . . . 0.0 107.516 174.742 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 18.0 m -60.51 -39.47 87.9 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 114.89 -1.05 . . . . 0.0 111.88 -174.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 28' ' ' TRP . . . . . 0.501 ' HB2' ' HE1' ' B' ' 3' ' ' TRP . 58.4 m95 -104.84 100.28 9.9 Favored 'General case' 0 C--N 1.266 -3.03 0 CA-C-N 114.707 -1.133 . . . . 0.0 109.046 179.394 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 68.6 m -128.86 97.68 4.73 Favored 'General case' 0 C--N 1.302 -1.499 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.882 -179.301 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.417 0 CA-C-N 116.565 -0.289 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.589 0 CA-C-O 122.057 0.932 . . . . 0.0 110.617 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.4 mp -82.4 -42.02 19.17 Favored 'General case' 0 C--N 1.292 -1.906 0 CA-C-N 113.595 -1.639 . . . . 0.0 109.411 -178.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -73.2 -43.8 60.75 Favored 'General case' 0 C--N 1.302 -1.457 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 46.7 t -54.92 -39.05 68.42 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.832 171.587 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.14 -37.84 84.27 Favored 'General case' 0 C--O 1.212 -0.911 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.004 178.571 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.622 HD21 HD23 ' A' ' 20' ' ' LEU . 68.3 tp -53.24 -43.26 67.19 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.114 0.565 . . . . 0.0 111.235 179.758 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.03 -43.64 91.71 Favored 'General case' 0 C--O 1.248 1.004 0 CA-C-O 121.299 0.571 . . . . 0.0 110.952 -178.057 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 65.2 m-20 -73.57 -43.44 59.81 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.197 -178.237 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 41.2 tptt -62.18 -42.26 99.11 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.056 -175.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.549 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 7.2 t -68.71 -35.49 77.22 Favored 'General case' 0 C--N 1.312 -1.033 0 O-C-N 123.537 0.523 . . . . 0.0 110.081 -179.446 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.0 t -74.46 -31.12 62.13 Favored 'General case' 0 N--CA 1.433 -1.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.351 -177.776 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 32.1 m80 -83.21 -56.77 3.59 Favored 'General case' 0 CA--C 1.513 -0.451 0 N-CA-C 112.038 0.385 . . . . 0.0 112.038 178.501 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 26.1 m -115.66 -49.21 4.71 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 CA-C-O 121.166 0.508 . . . . 0.0 112.204 -175.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.549 ' C ' ' HA ' ' A' ' 10' ' ' CYS . . . 149.47 172.31 18.92 Favored Glycine 0 C--N 1.289 -2.073 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 177.274 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.645 ' SG ' HD21 ' A' ' 20' ' ' LEU . 26.3 p -142.18 163.12 33.73 Favored 'General case' 0 C--N 1.291 -1.966 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 -177.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.41 ' HA ' ' HA ' ' B' ' 7' ' ' VAL . 23.3 p -99.57 152.12 20.39 Favored 'General case' 0 N--CA 1.406 -2.648 0 CA-C-O 121.609 0.719 . . . . 0.0 111.226 179.437 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.411 ' HG3' HD12 ' B' ' 22' ' ' ILE . 1.6 tppp? -64.06 -41.07 97.49 Favored 'General case' 0 C--N 1.295 -1.763 0 CA-C-N 114.973 -1.012 . . . . 0.0 109.208 -177.809 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.522 ' HB3' ' HG2' ' B' ' 4' ' ' MET . 13.5 ptm180 -55.63 -35.49 65.96 Favored 'General case' 0 N--CA 1.489 1.507 0 CA-C-O 122.265 1.031 . . . . 0.0 111.891 173.16 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.473 ' O ' ' HG2' ' A' ' 22' ' ' ARG . 12.4 t -73.78 -36.62 65.08 Favored 'General case' 0 C--N 1.276 -2.626 0 CA-C-N 114.258 -1.337 . . . . 0.0 110.296 -177.196 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.645 HD21 ' SG ' ' A' ' 15' ' ' CYS . 6.1 mt -75.99 -28.03 57.66 Favored 'General case' 0 CA--C 1.499 -0.988 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 176.135 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.432 ' HB2' HD13 ' B' ' 22' ' ' ILE . . . -58.14 -41.19 83.17 Favored 'General case' 0 C--N 1.32 -0.681 0 O-C-N 123.871 0.732 . . . . 0.0 111.061 178.492 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.473 ' HG2' ' O ' ' A' ' 19' ' ' SER . 12.5 ptm180 -77.41 2.02 17.28 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-O 121.231 0.539 . . . . 0.0 112.081 -178.572 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -114.02 -68.17 0.94 Allowed 'General case' 0 N--CA 1.442 -0.873 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 176.068 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 40.9 t 63.86 -75.99 0.04 OUTLIER 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 113.723 -1.581 . . . . 0.0 112.534 178.048 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.102 0 O-C-N 121.547 -0.721 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' ASP . . . . . 0.421 ' O ' ' HG3' ' B' ' 4' ' ' MET . 11.5 p-10 . . . . . 0 C--O 1.206 -1.189 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 4.9 m -57.62 -18.35 19.6 Favored 'General case' 0 N--CA 1.489 1.477 0 CA-C-O 122.281 1.039 . . . . 0.0 113.055 -179.057 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' TRP . . . . . 0.405 ' CD1' ' HB2' ' B' ' 28' ' ' TRP . 28.6 p-90 -75.58 -8.96 58.09 Favored 'General case' 0 C--N 1.283 -2.32 0 CA-C-N 114.064 -1.425 . . . . 0.0 111.694 179.391 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 4' ' ' MET . . . . . 0.518 ' O ' ' HB3' ' A' ' 17' ' ' LYS . 66.5 mtm -63.96 -25.71 68.26 Favored 'General case' 0 CA--C 1.502 -0.891 0 CA-C-O 120.714 0.292 . . . . 0.0 111.647 -177.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -81.01 84.94 6.35 Favored 'General case' 0 N--CA 1.426 -1.663 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 172.6 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -143.08 160.05 41.12 Favored 'General case' 0 N--CA 1.404 -2.733 0 N-CA-C 106.445 -1.687 . . . . 0.0 106.445 -177.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 7' ' ' VAL . . . . . 0.441 ' HA ' ' O ' ' A' ' 15' ' ' CYS . 7.2 p -141.15 119.52 9.84 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.654 0 O-C-N 124.455 1.097 . . . . 0.0 108.704 -178.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 17.4 pt -126.19 172.43 13.53 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.169 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.256 -175.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -133.68 91.85 2.9 Favored 'General case' 0 C--N 1.29 -2.019 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.494 HD23 ' HB3' ' B' ' 14' ' ' GLU . 10.8 mp -124.13 175.12 7.21 Favored 'General case' 0 C--N 1.302 -1.479 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.123 -177.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 40.5 m -145.5 157.56 43.98 Favored 'General case' 0 C--N 1.298 -1.642 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.366 -179.665 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 45.99 -115.98 1.95 Allowed Glycine 0 CA--C 1.502 -0.774 0 N-CA-C 116.418 1.327 . . . . 0.0 116.418 174.063 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 48.0 mtp180 -68.72 -27.57 66.05 Favored 'General case' 0 C--N 1.285 -2.206 0 CA-C-N 113.656 -1.272 . . . . 0.0 111.539 -177.002 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' GLU . . . . . 0.494 ' HB3' HD23 ' B' ' 10' ' ' LEU . 71.7 mm-40 -70.19 -33.64 71.97 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 176.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 86.3 mt -61.88 -41.03 97.39 Favored 'General case' 0 CA--C 1.504 -0.806 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 175.467 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 16' ' ' VAL . . . . . 0.426 ' O ' HG12 ' B' ' 20' ' ' ILE . 43.8 t -65.05 -41.12 91.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.316 177.64 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -58.72 -43.0 90.01 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.462 176.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.99 -36.11 79.45 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-O 121.219 0.533 . . . . 0.0 110.613 178.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 19' ' ' GLN . . . . . 0.63 ' O ' HG22 ' B' ' 22' ' ' ILE . 92.9 mt-30 -64.17 -53.18 53.52 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.192 175.684 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 20' ' ' ILE . . . . . 0.426 HG12 ' O ' ' B' ' 16' ' ' VAL . 45.3 mm -55.6 -39.27 53.67 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.276 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.908 175.181 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.74 -32.24 73.33 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.658 -0.701 . . . . 0.0 112.196 179.413 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.63 HG22 ' O ' ' B' ' 19' ' ' GLN . 0.2 OUTLIER -83.69 -29.7 7.68 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 -177.56 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 4.0 m -74.74 -22.82 58.59 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-O 121.088 0.471 . . . . 0.0 111.7 178.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -97.53 -98.47 1.99 Allowed Glycine 0 N--CA 1.41 -3.069 0 N-CA-C 107.44 -2.264 . . . . 0.0 107.44 170.283 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 27.1 ptt? 178.68 31.31 0.0 OUTLIER 'General case' 0 C--N 1.299 -1.588 0 C-N-CA 123.704 0.802 . . . . 0.0 108.966 177.064 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 1.2 m -74.19 3.8 6.63 Favored 'General case' 0 C--N 1.31 -1.15 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 -169.569 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 41.0 m -88.73 -16.99 30.84 Favored 'General case' 0 C--N 1.293 -1.873 0 CA-C-O 122.826 1.298 . . . . 0.0 107.943 174.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 28' ' ' TRP . . . . . 0.405 ' HB2' ' CD1' ' B' ' 3' ' ' TRP . 86.6 t90 -115.52 135.85 53.67 Favored 'General case' 0 C--N 1.276 -2.609 0 CA-C-N 113.096 -1.866 . . . . 0.0 108.313 -177.234 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 33.2 m -104.61 109.96 22.08 Favored 'General case' 0 C--N 1.294 -1.823 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 179.215 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.313 -1.01 0 CA-C-N 116.559 -0.292 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.825 0 CA-C-O 120.709 0.29 . . . . 0.0 110.658 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -68.86 -29.53 67.87 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.897 -177.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.52 ' O ' ' HB3' ' A' ' 6' ' ' LEU . 29.4 m-85 -69.99 -50.0 45.96 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.806 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.2 m -59.96 -38.12 81.55 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.953 174.102 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.02 -34.93 79.13 Favored 'General case' 0 C--O 1.219 -0.516 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.654 177.339 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.52 ' HB3' ' O ' ' A' ' 3' ' ' TYR . 41.5 tp -57.36 -46.21 83.59 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 123.82 0.848 . . . . 0.0 110.672 177.516 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.77 -51.14 71.03 Favored 'General case' 0 C--O 1.238 0.473 0 O-C-N 123.608 0.567 . . . . 0.0 110.353 -179.423 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -59.76 -45.75 91.3 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.457 178.595 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -61.56 -47.37 85.85 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.435 -177.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.495 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 7.6 t -67.92 -32.77 73.47 Favored 'General case' 0 C--N 1.3 -1.549 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.36 -175.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.4 t -75.73 -37.03 59.75 Favored 'General case' 0 N--CA 1.429 -1.486 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.31 -179.55 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 10.4 m170 -77.92 -52.62 8.56 Favored 'General case' 0 CA--C 1.507 -0.691 0 CA-C-O 121.052 0.453 . . . . 0.0 111.608 -179.085 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 17.3 m -121.54 -50.07 3.01 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.67 0 N-CA-C 113.148 0.796 . . . . 0.0 113.148 -176.513 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.495 ' C ' ' HA ' ' A' ' 10' ' ' CYS . . . 150.48 169.22 16.21 Favored Glycine 0 N--CA 1.431 -1.666 0 C-N-CA 120.982 -0.628 . . . . 0.0 112.248 178.163 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.556 ' SG ' HD11 ' A' ' 20' ' ' LEU . 27.0 p -142.81 160.2 40.78 Favored 'General case' 0 C--N 1.299 -1.59 0 CA-C-O 120.871 0.367 . . . . 0.0 110.875 -177.301 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.574 ' O ' HD12 ' A' ' 20' ' ' LEU . 19.9 p -93.35 143.82 25.91 Favored 'General case' 0 N--CA 1.405 -2.678 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.607 178.268 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.518 ' HB3' ' O ' ' B' ' 4' ' ' MET . 3.4 tppp? -60.48 -36.13 77.57 Favored 'General case' 0 C--N 1.307 -1.245 0 C-N-CA 124.007 0.923 . . . . 0.0 110.616 -176.802 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.404 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 26.6 mmm180 -61.63 -30.92 71.02 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.226 173.559 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.1 t -76.52 -33.49 58.59 Favored 'General case' 0 N--CA 1.426 -1.645 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.081 -176.264 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.574 HD12 ' O ' ' A' ' 16' ' ' THR . 2.0 mp -79.23 -29.43 42.73 Favored 'General case' 0 CA--C 1.498 -1.023 0 C-N-CA 119.048 -1.061 . . . . 0.0 108.983 174.471 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.615 ' HA ' HG21 ' B' ' 22' ' ' ILE . . . -52.91 -46.13 67.9 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 124.495 1.122 . . . . 0.0 112.033 179.394 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 28.8 ptt180 -67.92 -14.74 63.2 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.74 -176.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -107.14 -68.86 0.87 Allowed 'General case' 0 CA--C 1.494 -1.197 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 178.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.473 ' HA ' ' HB3' ' B' ' 19' ' ' GLN . 48.4 t 52.47 86.85 0.04 OUTLIER 'General case' 0 C--N 1.308 -1.233 0 CA-C-N 113.477 -1.692 . . . . 0.0 112.145 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.314 -0.975 0 O-C-N 122.081 -0.387 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . 0.408 ' O ' ' HA ' ' A' ' 16' ' ' THR . 24.8 mt-10 . . . . . 0 C--O 1.224 -0.27 0 N-CA-C 115.414 1.635 . . . . 0.0 115.414 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 4.0 p -126.62 117.6 48.58 Favored 'Isoleucine or valine' 0 C--N 1.277 -2.586 0 N-CA-C 106.866 -1.531 . . . . 0.0 106.866 172.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.48 ' HB ' HD13 ' B' ' 10' ' ' LEU . 23.2 pt -116.57 164.25 13.05 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.022 0 CA-C-O 121.178 0.513 . . . . 0.0 110.63 -174.584 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -129.52 76.36 1.72 Allowed 'General case' 0 C--N 1.29 -2.021 0 CA-C-N 114.796 -1.093 . . . . 0.0 108.676 178.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.48 HD13 ' HB ' ' B' ' 8' ' ' ILE . 10.3 mp -118.83 174.84 6.05 Favored 'General case' 0 CA--C 1.482 -1.643 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.147 -178.524 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 58.4 m -151.78 166.12 32.34 Favored 'General case' 0 C--N 1.287 -2.141 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 -177.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 45.34 -119.74 3.65 Favored Glycine 0 CA--C 1.501 -0.844 0 N-CA-C 116.531 1.372 . . . . 0.0 116.531 171.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 9.8 ptp85 -73.36 -28.09 61.85 Favored 'General case' 0 C--N 1.294 -1.828 0 CA-C-N 114.493 -0.853 . . . . 0.0 111.524 -175.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -73.33 -32.03 64.33 Favored 'General case' 0 CA--C 1.496 -1.126 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.596 ' O ' ' HG3' ' B' ' 19' ' ' GLN . 10.7 tp -66.57 -41.67 88.21 Favored 'General case' 0 N--CA 1.434 -1.259 0 CA-C-N 114.403 -1.272 . . . . 0.0 108.695 179.469 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . 0.445 ' O ' HG12 ' B' ' 20' ' ' ILE . 57.5 t -69.46 -38.83 77.79 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.439 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.407 178.354 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 52.1 mtp180 -57.46 -45.25 84.98 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-O 120.868 0.366 . . . . 0.0 111.019 175.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.98 -37.96 89.38 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.248 178.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . 0.596 ' HG2' ' HB3' ' A' ' 20' ' ' LEU . 47.0 mt-30 -62.71 -55.87 22.82 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.749 177.098 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . 0.445 HG12 ' O ' ' B' ' 16' ' ' VAL . 46.6 mm -53.7 -44.41 58.51 Favored 'Isoleucine or valine' 0 C--O 1.242 0.674 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.161 178.085 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.98 -49.56 67.4 Favored 'General case' 0 N--CA 1.438 -1.025 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.165 179.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.551 1.007 0 CA-C-O 121.032 0.444 . . . . 0.0 110.955 -176.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 -0.258 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 41.0 tp -63.0 -47.89 81.15 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.478 178.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.14 -49.42 66.6 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 123.643 0.777 . . . . 0.0 111.702 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -65.75 -45.25 83.29 Favored 'General case' 0 CA--C 1.506 -0.742 0 O-C-N 123.239 0.337 . . . . 0.0 110.777 177.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -59.65 -50.38 74.1 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.736 -176.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.406 ' HA ' ' HA2' ' A' ' 14' ' ' GLY . 33.5 m -67.66 -31.55 71.62 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-O 120.833 0.349 . . . . 0.0 110.6 -178.357 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.1 t -79.24 -24.85 42.75 Favored 'General case' 0 N--CA 1.429 -1.503 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.195 -176.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -92.31 -63.67 1.21 Allowed 'General case' 0 N--CA 1.446 -0.645 0 CA-C-O 121.181 0.515 . . . . 0.0 111.124 179.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 17.0 m -108.25 -45.13 7.04 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.514 0 CA-C-O 121.533 0.682 . . . . 0.0 111.388 -174.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.406 ' HA2' ' HA ' ' A' ' 10' ' ' CYS . . . 132.52 176.07 14.25 Favored Glycine 0 N--CA 1.412 -2.921 0 N-CA-C 110.375 -1.09 . . . . 0.0 110.375 178.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.8 p -151.55 163.39 39.15 Favored 'General case' 0 C--N 1.281 -2.397 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 -179.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.508 ' O ' HD12 ' A' ' 20' ' ' LEU . 18.9 p -82.0 145.39 30.27 Favored 'General case' 0 N--CA 1.391 -3.379 0 CA-C-O 121.118 0.485 . . . . 0.0 110.104 179.111 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.7 tptm -64.79 -26.4 68.33 Favored 'General case' 0 C--N 1.273 -2.721 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 179.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.9 mtm180 -67.92 -28.43 67.48 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.435 -1.257 . . . . 0.0 110.125 174.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.445 ' O ' ' HG2' ' A' ' 22' ' ' ARG . 23.5 p -73.31 -45.69 53.95 Favored 'General case' 0 N--CA 1.438 -1.052 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 -178.151 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.596 ' HB3' ' HG2' ' B' ' 19' ' ' GLN . 1.7 mp -68.54 -27.62 66.26 Favored 'General case' 0 CA--C 1.501 -0.905 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 177.471 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.79 -38.96 87.1 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.904 176.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.445 ' HG2' ' O ' ' A' ' 19' ' ' SER . 3.3 ptm180 . . . . . 0 C--N 1.317 -0.844 0 C-N-CA 119.661 -0.816 . . . . 0.0 111.268 -179.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . 0.59 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 24.3 tt0 . . . . . 0 N--CA 1.417 -2.106 0 N-CA-C 103.937 -2.616 . . . . 0.0 103.937 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 10.5 p -137.84 137.8 44.65 Favored 'Isoleucine or valine' 0 C--N 1.276 -2.613 0 O-C-N 123.613 0.571 . . . . 0.0 111.378 -172.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 18.9 pt -136.64 172.34 15.34 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.356 0 CA-C-N 115.368 -0.833 . . . . 0.0 108.998 178.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . 0.461 ' HE3' ' O ' ' A' ' 13' ' ' VAL . 63.0 mttp -137.16 86.96 2.24 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 179.177 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.446 HD13 ' HA ' ' B' ' 10' ' ' LEU . 1.2 mm? -124.21 176.58 6.33 Favored 'General case' 0 CA--C 1.47 -2.121 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 -179.5 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 13.4 m -154.55 166.09 34.43 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 107.237 -1.394 . . . . 0.0 107.237 -175.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 51.33 -136.35 31.14 Favored Glycine 0 C--O 1.238 0.353 0 O-C-N 123.78 0.675 . . . . 0.0 114.419 173.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.07 -10.01 59.71 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -178.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -75.68 -29.1 58.92 Favored 'General case' 0 C--O 1.241 0.639 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 176.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.55 ' O ' ' HG3' ' B' ' 19' ' ' GLN . 14.1 tp -73.4 -42.09 62.52 Favored 'General case' 0 N--CA 1.428 -1.559 0 CA-C-N 113.592 -1.64 . . . . 0.0 107.749 177.61 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 94.6 t -65.03 -40.99 90.86 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.59 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 49.7 ttp180 -52.43 -52.29 54.76 Favored 'General case' 0 C--O 1.251 1.176 0 C-N-CA 124.356 1.062 . . . . 0.0 108.761 177.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . 0.573 ' O ' HG13 ' B' ' 22' ' ' ILE . . . -60.19 -51.22 70.49 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 113.456 -1.702 . . . . 0.0 110.746 176.461 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . 0.604 ' HG2' ' HB3' ' A' ' 20' ' ' LEU . 93.4 mt-30 -48.81 -56.32 9.04 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.139 0.975 . . . . 0.0 112.415 179.511 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 47.7 mm -53.7 -41.72 48.37 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.827 179.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.0 -41.56 95.28 Favored 'General case' 0 C--O 1.219 -0.512 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.654 178.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.573 HG13 ' O ' ' B' ' 18' ' ' ALA . 45.3 mt . . . . . 0 C--N 1.312 -1.043 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.405 -177.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.512 -0.495 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.513 HD21 ' HA ' ' A' ' 20' ' ' LEU . 37.2 tp -54.39 -46.71 73.16 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.243 175.636 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.76 -50.75 71.35 Favored 'General case' 0 CA--C 1.508 -0.666 0 O-C-N 123.689 0.618 . . . . 0.0 110.641 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -61.67 -49.25 77.26 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.811 179.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt -59.23 -43.62 92.35 Favored 'General case' 0 C--N 1.317 -0.814 0 C-N-CA 122.801 0.44 . . . . 0.0 111.768 -179.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.473 ' HA ' ' CA ' ' A' ' 14' ' ' GLY . 10.9 t -74.79 -27.98 60.54 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-O 121.132 0.491 . . . . 0.0 110.383 -177.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.9 t -76.89 -24.99 52.53 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-O 121.499 0.666 . . . . 0.0 109.393 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 30.8 m-70 -94.64 -69.66 0.74 Allowed 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.708 177.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.461 ' O ' ' HE3' ' B' ' 9' ' ' LYS . 19.7 m -95.15 -47.91 13.01 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.159 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.794 -176.19 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.473 ' CA ' ' HA ' ' A' ' 10' ' ' CYS . . . 136.45 174.41 13.33 Favored Glycine 0 C--N 1.285 -2.261 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 177.622 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.503 ' SG ' HD11 ' A' ' 20' ' ' LEU . 20.2 p -139.77 153.77 47.23 Favored 'General case' 0 C--N 1.287 -2.113 0 CA-C-O 120.886 0.374 . . . . 0.0 111.292 -177.149 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.575 ' O ' HD12 ' A' ' 20' ' ' LEU . 61.3 p -89.82 146.55 24.37 Favored 'General case' 0 N--CA 1.415 -2.217 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 176.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.59 ' HB2' ' HB3' ' B' ' 6' ' ' GLU . 2.6 tptm -52.7 -44.85 66.58 Favored 'General case' 0 C--N 1.283 -2.295 0 C-N-CA 124.543 1.137 . . . . 0.0 112.533 -175.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.45 ' HD2' ' HA ' ' A' ' 18' ' ' ARG . 7.5 mmm180 -71.06 -20.39 62.37 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 119.925 -0.71 . . . . 0.0 112.871 175.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.3 t -71.43 -41.21 69.77 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 178.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.604 ' HB3' ' HG2' ' B' ' 19' ' ' GLN . 3.9 mp -67.41 -38.12 84.14 Favored 'General case' 0 CA--C 1.489 -1.373 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 174.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.45 ' HB2' ' CG2' ' B' ' 22' ' ' ILE . . . -60.12 -25.72 65.68 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 114.59 -1.187 . . . . 0.0 113.728 -179.045 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.0 ptp180 . . . . . 0 C--N 1.327 -0.373 0 C-N-CA 119.312 -0.955 . . . . 0.0 110.977 178.692 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . 0.672 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 22.7 tt0 . . . . . 0 CA--C 1.499 -0.982 0 N-CA-C 106.901 -1.518 . . . . 0.0 106.901 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . 0.404 ' HA ' ' HA ' ' A' ' 16' ' ' THR . 6.0 p -148.6 123.26 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.282 -2.355 0 O-C-N 124.302 1.001 . . . . 0.0 108.862 -179.682 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 18.7 pt -125.26 169.82 16.15 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.97 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.985 -176.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -127.78 88.01 2.71 Favored 'General case' 0 C--N 1.29 -2.014 0 CA-C-N 115.252 -0.886 . . . . 0.0 108.879 177.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 10.6 mp -119.76 170.34 9.3 Favored 'General case' 0 C--N 1.291 -1.956 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.657 178.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 48.9 t -161.92 164.11 28.71 Favored 'General case' 0 C--N 1.281 -2.386 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 -175.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 54.15 -130.53 44.33 Favored Glycine 0 C--N 1.295 -1.725 0 O-C-N 124.573 1.17 . . . . 0.0 113.638 178.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . 0.427 ' O ' ' HG3' ' B' ' 17' ' ' ARG . 71.3 ttt180 -66.48 -35.29 79.92 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-N 114.838 -0.681 . . . . 0.0 111.9 -178.77 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -64.88 -35.83 82.39 Favored 'General case' 0 CA--C 1.5 -0.95 0 C-N-CA 120.363 -0.535 . . . . 0.0 109.674 -177.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.437 ' CD2' ' HA ' ' A' ' 7' ' ' ALA . 35.8 tp -65.13 -41.64 94.63 Favored 'General case' 0 N--CA 1.438 -1.044 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.429 -178.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 74.7 t -68.94 -37.94 77.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.017 177.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . 0.427 ' HG3' ' O ' ' B' ' 13' ' ' ARG . 81.8 mtp180 -60.83 -41.22 95.36 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.31 178.126 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . 0.585 ' O ' HG13 ' B' ' 22' ' ' ILE . . . -67.61 -46.52 72.3 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.879 177.33 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . 0.642 ' HG2' ' HB3' ' A' ' 20' ' ' LEU . 94.2 mt-30 -50.92 -57.8 7.62 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.048 0.939 . . . . 0.0 111.352 177.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 1.7 mp -59.51 -36.49 64.98 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.185 0 CA-C-N 115.277 -0.874 . . . . 0.0 112.122 178.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.76 -44.05 91.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.745 0.307 . . . . 0.0 110.427 178.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.585 HG13 ' O ' ' B' ' 18' ' ' ALA . 64.0 mt . . . . . 0 C--O 1.214 -0.808 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.712 178.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.524 HD21 ' HA ' ' A' ' 20' ' ' LEU . 54.9 tp -58.67 -43.76 89.97 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 116.719 -0.219 . . . . 0.0 110.513 176.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.437 ' HA ' ' CD2' ' B' ' 15' ' ' LEU . . . -54.68 -53.89 48.89 Favored 'General case' 0 N--CA 1.447 -0.582 0 O-C-N 123.88 0.738 . . . . 0.0 111.076 -179.619 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -67.09 -46.43 74.26 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.069 -179.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt -60.99 -42.89 99.29 Favored 'General case' 0 C--O 1.212 -0.913 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -178.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.431 ' HA ' ' CA ' ' A' ' 14' ' ' GLY . 13.5 t -77.02 -24.97 52.11 Favored 'General case' 0 C--N 1.299 -1.612 0 CA-C-O 121.234 0.54 . . . . 0.0 109.82 -178.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.6 t -70.98 -36.11 72.37 Favored 'General case' 0 N--CA 1.438 -1.038 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 178.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 61.6 m-70 -92.84 -68.36 0.8 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.17 -0.468 . . . . 0.0 112.218 179.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 19.8 m -88.88 -47.8 15.04 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.987 0 N-CA-C 112.653 0.612 . . . . 0.0 112.653 -176.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.431 ' CA ' ' HA ' ' A' ' 10' ' ' CYS . . . 133.86 174.71 13.62 Favored Glycine 0 C--N 1.286 -2.217 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 178.219 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.4 p -144.78 152.27 40.08 Favored 'General case' 0 C--N 1.292 -1.935 0 CA-C-O 121.093 0.473 . . . . 0.0 111.296 -177.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.532 ' O ' HD12 ' A' ' 20' ' ' LEU . 20.8 p -82.6 153.19 25.58 Favored 'General case' 0 N--CA 1.409 -2.511 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 176.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.672 ' HB2' ' HB3' ' B' ' 6' ' ' GLU . 10.3 tptm -62.48 -32.72 73.66 Favored 'General case' 0 C--N 1.28 -2.433 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.775 -176.139 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 65.1 mtm180 -65.29 -26.83 68.24 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-O 120.868 0.366 . . . . 0.0 111.516 172.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.414 ' HB3' ' O ' ' A' ' 16' ' ' THR . 32.0 t -73.83 -43.21 59.45 Favored 'General case' 0 N--CA 1.43 -1.45 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 -176.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.642 ' HB3' ' HG2' ' B' ' 19' ' ' GLN . 1.6 mp -71.08 -35.66 71.95 Favored 'General case' 0 CA--C 1.505 -0.771 0 C-N-CA 119.073 -1.051 . . . . 0.0 108.881 177.298 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.549 ' HB2' HG21 ' B' ' 22' ' ' ILE . . . -61.78 -33.52 74.24 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 114.894 -1.048 . . . . 0.0 112.487 -177.64 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 . . . . . 0 C--N 1.319 -0.749 0 N-CA-C 112.192 0.441 . . . . 0.0 112.192 -176.902 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . 0.617 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 27.9 tt0 . . . . . 0 N--CA 1.429 -1.505 0 N-CA-C 107.516 -1.29 . . . . 0.0 107.516 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 8.5 p -141.41 128.48 20.91 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.316 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 178.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 23.9 pt -127.95 171.85 15.56 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.012 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 -177.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . 0.4 ' HE3' ' O ' ' A' ' 12' ' ' HIS . 88.4 tttt -134.75 82.28 1.95 Allowed 'General case' 0 C--N 1.291 -1.97 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 177.669 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.468 HD23 ' HB3' ' B' ' 14' ' ' GLU . 9.8 mp -118.96 175.59 5.69 Favored 'General case' 0 C--N 1.299 -1.609 0 CA-C-N 115.131 -0.941 . . . . 0.0 109.612 -179.004 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 35.0 m -144.48 160.8 40.49 Favored 'General case' 0 C--N 1.287 -2.128 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.181 -178.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 42.82 -116.42 1.22 Allowed Glycine 0 C--N 1.335 0.487 0 N-CA-C 116.678 1.431 . . . . 0.0 116.678 173.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -68.81 -25.11 64.51 Favored 'General case' 0 C--N 1.291 -1.936 0 CA-C-N 113.39 -1.405 . . . . 0.0 112.025 -174.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . 0.468 ' HB3' HD23 ' B' ' 10' ' ' LEU . 42.2 mt-10 -77.83 -29.69 50.73 Favored 'General case' 0 N--CA 1.44 -0.968 0 C-N-CA 120.575 -0.45 . . . . 0.0 109.945 179.701 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.51 ' CD1' ' HA ' ' A' ' 7' ' ' ALA . 95.8 mt -64.0 -41.4 97.5 Favored 'General case' 0 CA--C 1.501 -0.913 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.013 173.748 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 55.1 t -65.34 -41.69 91.9 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.719 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.269 178.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 19.8 mmm180 -59.54 -41.25 89.65 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 111.96 0.355 . . . . 0.0 111.96 176.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . 0.454 ' O ' HG13 ' B' ' 22' ' ' ILE . . . -66.93 -44.97 79.28 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.709 178.589 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . 0.44 ' CG ' ' HB3' ' A' ' 20' ' ' LEU . 87.1 mt-30 -54.43 -54.27 43.02 Favored 'General case' 0 C--O 1.24 0.592 0 C-N-CA 124.048 0.939 . . . . 0.0 110.999 176.066 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 80.9 mt -56.57 -43.03 77.55 Favored 'Isoleucine or valine' 0 C--O 1.251 1.165 0 CA-C-N 114.918 -1.037 . . . . 0.0 110.753 177.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.47 -44.1 97.22 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.703 179.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.454 HG13 ' O ' ' B' ' 18' ' ' ALA . 74.3 mt . . . . . 0 N--CA 1.477 0.893 0 C-N-CA 124.392 1.077 . . . . 0.0 111.669 178.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.481 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 64.8 tp -58.07 -44.11 87.34 Favored 'General case' 0 C--O 1.235 0.323 0 O-C-N 123.293 0.371 . . . . 0.0 110.646 178.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.51 ' HA ' ' CD1' ' B' ' 15' ' ' LEU . . . -56.07 -52.09 65.52 Favored 'General case' 0 N--CA 1.451 -0.403 0 O-C-N 123.928 0.768 . . . . 0.0 111.301 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -68.64 -45.94 70.51 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.102 -178.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 60.6 mtpt -60.41 -45.5 93.37 Favored 'General case' 0 C--N 1.312 -1.046 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 -178.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.485 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 11.5 t -73.48 -28.45 61.94 Favored 'General case' 0 C--N 1.304 -1.395 0 C-N-CA 120.766 -0.373 . . . . 0.0 110.309 -178.605 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 8.7 t -75.66 -32.73 60.29 Favored 'General case' 0 N--CA 1.432 -1.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.194 -178.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.4 ' O ' ' HE3' ' B' ' 9' ' ' LYS . 37.1 m-70 -88.07 -61.0 1.81 Allowed 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.613 -0.435 . . . . 0.0 111.703 179.388 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 19.7 m -101.18 -47.84 11.44 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.128 0 CA-C-O 121.404 0.621 . . . . 0.0 112.344 -176.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.485 ' C ' ' HA ' ' A' ' 10' ' ' CYS . . . 139.04 173.7 13.14 Favored Glycine 0 C--N 1.282 -2.441 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 178.302 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.522 ' SG ' HD11 ' A' ' 20' ' ' LEU . 22.8 p -139.49 152.54 47.05 Favored 'General case' 0 C--N 1.285 -2.226 0 CA-C-O 121.404 0.621 . . . . 0.0 111.446 -177.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.505 ' O ' HD12 ' A' ' 20' ' ' LEU . 3.3 p -86.66 145.16 26.82 Favored 'General case' 0 N--CA 1.397 -3.119 0 CA-C-N 114.843 -1.071 . . . . 0.0 108.894 177.703 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.617 ' HB2' ' HB3' ' B' ' 6' ' ' GLU . 12.8 tptm -63.37 -30.58 71.69 Favored 'General case' 0 C--N 1.293 -1.883 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.441 -175.442 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.3 mmm180 -65.57 -25.0 67.22 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-O 121.095 0.474 . . . . 0.0 110.673 174.097 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.491 ' HB3' ' O ' ' A' ' 16' ' ' THR . 47.8 t -76.81 -45.12 29.87 Favored 'General case' 0 N--CA 1.434 -1.261 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.708 -178.641 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.542 ' H ' HD12 ' A' ' 20' ' ' LEU . 1.7 mp -70.26 -29.52 66.34 Favored 'General case' 0 CA--C 1.494 -1.176 0 C-N-CA 119.037 -1.065 . . . . 0.0 108.993 178.138 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.03 -37.8 88.8 Favored 'General case' 0 C--N 1.309 -1.167 0 O-C-N 124.109 0.881 . . . . 0.0 110.479 177.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.6 tpm_? . . . . . 0 C--N 1.32 -0.714 0 CA-C-O 121.572 0.701 . . . . 0.0 111.023 179.587 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . 0.571 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 22.3 tt0 . . . . . 0 N--CA 1.432 -1.364 0 N-CA-C 105.077 -2.194 . . . . 0.0 105.077 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.68 134.8 13.75 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.474 0 O-C-N 123.671 0.607 . . . . 0.0 109.545 -176.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -135.93 166.24 27.62 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.638 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -124.05 84.92 2.34 Favored 'General case' 0 C--N 1.311 -1.103 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 177.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 10.9 mp -117.03 175.79 5.43 Favored 'General case' 0 C--N 1.294 -1.835 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.942 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 38.2 t -158.45 166.43 32.22 Favored 'General case' 0 C--N 1.282 -2.348 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 -178.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 45.2 -125.2 6.76 Favored Glycine 0 C--O 1.266 2.15 0 O-C-N 124.671 1.232 . . . . 0.0 115.759 177.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' B' ' 13' ' ' ARG . 18.7 ptt180 -65.22 -23.55 67.1 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 114.174 -1.013 . . . . 0.0 111.188 -178.233 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . 0.409 ' O ' ' HB2' ' B' ' 17' ' ' ARG . 45.8 mt-10 -72.21 -34.87 68.7 Favored 'General case' 0 N--CA 1.439 -1.001 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 -178.27 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.407 ' CD1' ' HA ' ' A' ' 7' ' ' ALA . 95.5 mt -62.91 -41.98 99.64 Favored 'General case' 0 CA--C 1.489 -1.377 0 N-CA-C 108.658 -0.868 . . . . 0.0 108.658 174.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 25.3 t -64.66 -39.65 86.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.704 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . 0.47 ' HA ' ' NE ' ' B' ' 17' ' ' ARG . 2.7 mmp_? -53.67 -50.35 65.99 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.601 175.153 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . 0.618 ' O ' HG13 ' B' ' 22' ' ' ILE . . . -65.93 -50.08 65.69 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 114.927 -1.033 . . . . 0.0 110.944 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . 0.492 ' HG2' ' HB3' ' A' ' 20' ' ' LEU . 94.6 mt-30 -51.67 -55.79 17.4 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 124.208 1.003 . . . . 0.0 111.705 -179.766 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 79.9 mt -59.36 -37.94 72.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.586 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.34 -35.81 82.07 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.185 0.516 . . . . 0.0 110.148 177.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.618 HG13 ' O ' ' B' ' 18' ' ' ALA . 64.3 mt . . . . . 0 C--N 1.317 -0.834 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.728 177.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.213 -0.818 0 CA-C-O 119.406 -0.33 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.528 HD21 ' HA ' ' A' ' 20' ' ' LEU . 54.5 tp -52.94 -44.45 67.06 Favored 'General case' 0 N--CA 1.488 1.444 0 CA-C-O 120.912 0.387 . . . . 0.0 110.35 178.696 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.407 ' HA ' ' CD1' ' B' ' 15' ' ' LEU . . . -57.74 -51.29 70.15 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 114.7 -1.136 . . . . 0.0 110.352 178.668 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -61.15 -48.33 82.09 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.807 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp -59.03 -49.94 75.97 Favored 'General case' 0 C--N 1.308 -1.213 0 C-N-CA 123.85 0.86 . . . . 0.0 112.694 -177.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.454 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 7.5 t -71.18 -26.59 63.04 Favored 'General case' 0 C--N 1.302 -1.48 0 CA-C-O 121.327 0.584 . . . . 0.0 110.291 -176.539 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.4 t -75.36 -25.62 57.88 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.582 -178.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 24.8 m-70 -101.92 -58.47 1.87 Allowed 'General case' 0 CA--C 1.515 -0.37 0 N-CA-C 112.978 0.732 . . . . 0.0 112.978 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 19.0 m -104.19 -44.54 9.04 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 -177.123 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.454 ' C ' ' HA ' ' A' ' 10' ' ' CYS . . . 137.47 176.22 14.3 Favored Glycine 0 C--N 1.293 -1.859 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 177.411 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.481 ' SG ' HD11 ' A' ' 20' ' ' LEU . 20.8 p -142.76 155.02 44.78 Favored 'General case' 0 C--N 1.298 -1.661 0 CA-C-O 121.022 0.439 . . . . 0.0 111.714 -177.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.54 ' O ' HD12 ' A' ' 20' ' ' LEU . 10.8 p -89.94 144.89 25.54 Favored 'General case' 0 N--CA 1.415 -2.176 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.154 177.35 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.571 ' HB2' ' HB3' ' B' ' 6' ' ' GLU . 13.7 tptm -59.3 -41.38 88.85 Favored 'General case' 0 C--N 1.289 -2.059 0 C-N-CA 123.787 0.835 . . . . 0.0 112.53 -172.765 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.0 mmm180 -68.86 -20.78 64.29 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 120.351 -0.54 . . . . 0.0 111.782 175.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.7 t -73.29 -38.45 65.88 Favored 'General case' 0 C--N 1.31 -1.148 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.54 HD12 ' O ' ' A' ' 16' ' ' THR . 2.1 mp -72.75 -36.9 67.82 Favored 'General case' 0 CA--C 1.496 -1.127 0 C-N-CA 118.737 -1.185 . . . . 0.0 108.486 175.028 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.504 ' HB2' HG21 ' B' ' 22' ' ' ILE . . . -59.02 -35.72 73.75 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 114.828 -1.078 . . . . 0.0 113.092 -178.297 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 . . . . . 0 C--N 1.323 -0.577 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -176.225 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . 0.486 ' O ' ' HA ' ' A' ' 16' ' ' THR . 8.1 mm-40 . . . . . 0 C--O 1.215 -0.754 0 CA-C-O 121.396 0.617 . . . . 0.0 112.477 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.7 p -131.9 123.98 52.46 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.163 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 176.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.461 ' HB ' HD13 ' B' ' 10' ' ' LEU . 26.1 pt -121.0 162.14 20.12 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.6 0 CA-C-O 121.167 0.508 . . . . 0.0 110.493 -176.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 58.4 mtpt -139.32 63.26 1.51 Allowed 'General case' 0 C--N 1.295 -1.795 0 CA-C-N 114.684 -1.143 . . . . 0.0 108.62 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.461 HD13 ' HB ' ' B' ' 8' ' ' ILE . 7.5 mp -102.64 175.59 5.45 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.134 -177.628 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 64.3 m -149.79 165.1 33.5 Favored 'General case' 0 C--N 1.297 -1.681 0 O-C-N 123.756 0.66 . . . . 0.0 109.73 -178.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 51.32 -129.44 32.64 Favored Glycine 0 C--O 1.248 1.005 0 O-C-N 123.894 0.746 . . . . 0.0 114.922 175.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 17.1 ptp180 -74.17 -10.31 59.48 Favored 'General case' 0 C--N 1.309 -1.179 0 CA-C-N 115.057 -0.572 . . . . 0.0 111.542 -178.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.94 -34.91 64.48 Favored 'General case' 0 N--CA 1.442 -0.874 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 174.012 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 88.7 mt -64.37 -41.52 96.68 Favored 'General case' 0 C--O 1.208 -1.114 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.327 175.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 46.4 t -66.16 -41.03 88.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.704 178.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 31.1 tpt180 -54.92 -57.19 12.62 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 177.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . 0.471 ' HB1' ' HE3' ' A' ' 17' ' ' LYS . . . -56.84 -45.4 82.41 Favored 'General case' 0 C--N 1.305 -1.353 0 CA-C-N 113.44 -1.709 . . . . 0.0 111.621 179.057 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . 0.526 ' HA ' HG22 ' B' ' 22' ' ' ILE . 36.7 mt-30 -64.37 -53.53 47.09 Favored 'General case' 0 C--O 1.198 -1.618 0 N-CA-C 112.594 0.59 . . . . 0.0 112.594 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 46.8 mm -57.27 -38.17 60.46 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.946 0 CA-C-O 121.313 0.578 . . . . 0.0 110.037 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.36 -48.41 73.06 Favored 'General case' 0 N--CA 1.437 -1.116 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.84 178.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.526 HG22 ' HA ' ' B' ' 19' ' ' GLN . 8.5 tp . . . . . 0 C--O 1.213 -0.828 0 CA-C-O 121.011 0.434 . . . . 0.0 110.453 -178.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.243 0.761 0 CA-C-O 121.11 0.481 . . . . 0.0 109.755 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.409 ' HG ' ' SG ' ' A' ' 10' ' ' CYS . 51.1 tp -61.6 -38.19 86.68 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.219 -0.9 . . . . 0.0 109.809 178.557 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.22 -44.88 72.07 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.775 179.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 54.8 m-80 -62.67 -48.08 80.87 Favored 'General case' 0 CA--C 1.502 -0.899 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 177.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 59.0 mtpt -59.18 -47.84 83.83 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-N 115.193 -0.912 . . . . 0.0 112.429 -176.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.409 ' SG ' ' HG ' ' A' ' 6' ' ' LEU . 38.3 m -69.33 -28.03 65.88 Favored 'General case' 0 C--N 1.308 -1.228 0 O-C-N 122.213 -0.304 . . . . 0.0 110.989 -179.688 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 42.9 t -79.22 -37.34 38.36 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-O 121.223 0.535 . . . . 0.0 110.588 -178.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 46.0 m-70 -86.23 -50.43 6.97 Favored 'General case' 0 C--N 1.31 -1.125 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -177.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.0 m -112.95 -46.1 5.23 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.806 0 CA-C-O 121.237 0.542 . . . . 0.0 112.394 -178.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 122.67 164.88 12.26 Favored Glycine 0 C--N 1.286 -2.214 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 178.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.5 p -150.92 164.49 36.2 Favored 'General case' 0 C--N 1.289 -2.053 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 -176.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.488 ' O ' HD12 ' A' ' 20' ' ' LEU . 38.3 p -78.46 151.67 32.51 Favored 'General case' 0 N--CA 1.397 -3.077 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 176.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.471 ' HE3' ' HB1' ' B' ' 18' ' ' ALA . 18.4 tptm -67.24 -25.22 65.98 Favored 'General case' 0 C--N 1.287 -2.134 0 N-CA-C 106.979 -1.489 . . . . 0.0 106.979 177.761 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 45.0 mmm-85 -66.07 -30.36 70.87 Favored 'General case' 0 C--N 1.339 0.129 0 CA-C-N 114.891 -1.05 . . . . 0.0 109.242 173.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.9 t -73.11 -37.68 66.6 Favored 'General case' 0 N--CA 1.426 -1.666 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.543 -178.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.531 ' H ' HD12 ' A' ' 20' ' ' LEU . 0.8 OUTLIER -75.94 -31.91 59.32 Favored 'General case' 0 C--O 1.212 -0.881 0 C-N-CA 118.366 -1.333 . . . . 0.0 108.65 174.027 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.6 -34.68 74.58 Favored 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 32.1 ptt180 . . . . . 0 C--N 1.319 -0.752 0 CA-C-O 120.732 0.301 . . . . 0.0 111.691 179.5 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . 0.546 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 8.7 tp10 . . . . . 0 N--CA 1.421 -1.891 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.1 p -137.32 124.0 28.86 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.251 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 176.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 22.2 pt -125.71 171.95 13.78 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.867 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 -178.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -136.53 77.28 1.64 Allowed 'General case' 0 C--N 1.284 -2.261 0 CA-C-O 121.683 0.754 . . . . 0.0 109.385 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 10.8 mp -107.71 171.39 7.42 Favored 'General case' 0 CA--C 1.475 -1.94 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.234 179.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 53.1 t -161.21 163.35 31.17 Favored 'General case' 0 C--N 1.286 -2.182 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.736 -175.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 54.85 -129.16 44.7 Favored Glycine 0 C--O 1.251 1.184 0 O-C-N 124.843 1.34 . . . . 0.0 113.068 179.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 75.3 mtm180 -67.67 -32.83 73.77 Favored 'General case' 0 C--N 1.299 -1.599 0 CA-C-N 114.539 -0.831 . . . . 0.0 111.634 -178.091 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -68.5 -34.03 75.18 Favored 'General case' 0 CA--C 1.488 -1.425 0 C-N-CA 120.374 -0.531 . . . . 0.0 110.339 -177.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.5 ' CD2' ' HA ' ' A' ' 7' ' ' ALA . 28.2 tp -66.8 -40.49 88.13 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-N 115.089 -0.959 . . . . 0.0 109.242 179.528 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . 0.427 ' O ' HG12 ' B' ' 20' ' ' ILE . 57.4 t -68.19 -40.45 82.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.333 176.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 75.9 mtp180 -57.76 -46.62 84.28 Favored 'General case' 0 CA--C 1.514 -0.442 0 C-N-CA 122.731 0.412 . . . . 0.0 110.781 176.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . 0.575 ' O ' HG12 ' B' ' 22' ' ' ILE . . . -61.96 -45.85 91.87 Favored 'General case' 0 C--N 1.315 -0.91 0 O-C-N 123.878 0.736 . . . . 0.0 110.037 177.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . 0.559 ' HG2' ' HB3' ' A' ' 20' ' ' LEU . 82.1 mt-30 -55.62 -53.51 55.59 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 123.269 0.628 . . . . 0.0 111.476 177.02 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . 0.427 HG12 ' O ' ' B' ' 16' ' ' VAL . 48.6 mm -58.93 -37.29 66.35 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.769 177.575 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.25 -40.19 96.74 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.425 178.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.575 HG12 ' O ' ' B' ' 18' ' ' ALA . 45.2 mm . . . . . 0 C--O 1.216 -0.686 0 O-C-N 123.779 0.674 . . . . 0.0 109.538 177.188 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.268 0 CA-C-O 120.866 0.365 . . . . 0.0 110.255 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 44.7 tp -63.67 -43.35 96.95 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.152 178.144 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.5 ' HA ' ' CD2' ' B' ' 15' ' ' LEU . . . -56.76 -46.84 81.19 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.18 -179.552 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -70.58 -44.79 66.63 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.852 179.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 58.2 tttp -60.12 -48.13 82.99 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.654 -0.248 . . . . 0.0 111.549 -177.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.506 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 6.3 t -70.1 -30.0 67.1 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-O 120.846 0.355 . . . . 0.0 110.252 -177.485 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 22.7 t -72.97 -39.66 65.94 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.909 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 30.4 m-70 -81.26 -55.55 4.65 Favored 'General case' 0 CA--C 1.512 -0.495 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -178.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 19.1 m -112.04 -51.58 5.79 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.483 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 -177.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.506 ' C ' ' HA ' ' A' ' 10' ' ' CYS . . . 149.15 170.54 16.9 Favored Glycine 0 C--N 1.296 -1.694 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.7 p -139.59 158.77 43.57 Favored 'General case' 0 C--N 1.292 -1.898 0 CA-C-O 120.927 0.394 . . . . 0.0 110.585 -178.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.561 ' O ' HD12 ' A' ' 20' ' ' LEU . 8.8 p -93.29 144.73 25.03 Favored 'General case' 0 N--CA 1.404 -2.746 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.348 178.45 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.546 ' HB2' ' HB3' ' B' ' 6' ' ' GLU . 37.3 tptt -61.63 -35.8 78.96 Favored 'General case' 0 C--N 1.299 -1.594 0 C-N-CA 124.065 0.946 . . . . 0.0 109.534 -175.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 71.8 mtm180 -65.21 -27.7 68.87 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-O 121.018 0.437 . . . . 0.0 109.976 174.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.456 ' O ' ' HG2' ' A' ' 22' ' ' ARG . 16.1 t -76.81 -40.39 48.2 Favored 'General case' 0 N--CA 1.414 -2.24 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.003 -176.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.561 HD12 ' O ' ' A' ' 16' ' ' THR . 0.7 OUTLIER -69.49 -29.89 67.63 Favored 'General case' 0 CA--C 1.506 -0.725 0 C-N-CA 118.151 -1.42 . . . . 0.0 108.349 175.62 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.489 ' HA ' HG21 ' B' ' 22' ' ' ILE . . . -68.14 -36.16 79.24 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 115.135 -0.939 . . . . 0.0 112.448 178.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.456 ' HG2' ' O ' ' A' ' 19' ' ' SER . 20.6 ptt180 . . . . . 0 C--N 1.321 -0.646 0 CA-C-O 121.06 0.457 . . . . 0.0 111.048 -177.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . 0.546 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 31.2 tt0 . . . . . 0 N--CA 1.42 -1.937 0 N-CA-C 107.199 -1.408 . . . . 0.0 107.199 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 6.7 p -140.2 128.66 25.83 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.366 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 177.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.476 HD13 ' H ' ' B' ' 8' ' ' ILE . 0.2 OUTLIER -131.4 165.05 32.7 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 -177.722 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -126.84 90.46 3.16 Favored 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 176.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 10.9 mp -119.95 175.36 5.94 Favored 'General case' 0 CA--C 1.485 -1.554 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.211 -178.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 56.7 m -152.47 163.19 40.04 Favored 'General case' 0 C--N 1.297 -1.709 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 -177.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 45.47 -122.1 5.28 Favored Glycine 0 CA--C 1.498 -0.972 0 O-C-N 124.635 1.21 . . . . 0.0 115.673 172.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . 0.497 ' O ' ' HG2' ' B' ' 17' ' ' ARG . 55.7 ttp180 -62.82 -39.09 93.23 Favored 'General case' 0 C--N 1.304 -1.407 0 CA-C-N 114.155 -1.022 . . . . 0.0 110.75 -178.266 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -69.77 -31.66 69.73 Favored 'General case' 0 CA--C 1.499 -0.992 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 -175.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.557 ' O ' ' HG3' ' B' ' 19' ' ' GLN . 12.9 tp -68.15 -42.11 80.58 Favored 'General case' 0 N--CA 1.436 -1.152 0 CA-C-N 114.866 -1.061 . . . . 0.0 108.798 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 98.8 t -70.87 -36.56 64.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.535 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . 0.497 ' HG2' ' O ' ' B' ' 13' ' ' ARG . 12.1 mmt85 -59.66 -42.92 93.91 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.57 175.662 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . 0.472 ' O ' HG13 ' B' ' 22' ' ' ILE . . . -64.36 -44.84 90.17 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.571 177.602 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . 0.557 ' HG3' ' O ' ' B' ' 15' ' ' LEU . 94.4 mt-30 -54.67 -59.6 4.49 Favored 'General case' 0 C--O 1.22 -0.468 0 C-N-CA 124.215 1.006 . . . . 0.0 111.207 177.377 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 80.5 mt -53.79 -36.55 30.11 Favored 'Isoleucine or valine' 0 C--O 1.249 1.061 0 C-N-CA 124.024 0.929 . . . . 0.0 111.273 178.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.68 -26.9 65.53 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.451 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.472 HG13 ' O ' ' B' ' 18' ' ' ALA . 75.5 mt . . . . . 0 C--N 1.31 -1.113 0 CA-C-O 121.278 0.561 . . . . 0.0 109.696 177.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.209 -1.053 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 59.1 tp -56.93 -42.61 80.33 Favored 'General case' 0 C--N 1.33 -0.271 0 O-C-N 123.577 0.548 . . . . 0.0 110.41 178.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.462 ' HA ' ' CD2' ' B' ' 15' ' ' LEU . . . -57.98 -53.76 54.62 Favored 'General case' 0 C--O 1.246 0.904 0 CA-C-O 120.937 0.398 . . . . 0.0 111.007 179.405 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.613 ' O ' ' HD2' ' A' ' 12' ' ' HIS . 40.7 m-80 -66.31 -55.93 13.65 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.677 179.642 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -54.55 -44.74 73.14 Favored 'General case' 0 C--N 1.311 -1.068 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 -175.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.482 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 9.9 t -73.08 -27.03 61.49 Favored 'General case' 0 C--N 1.307 -1.271 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 -178.644 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 8.7 t -75.83 -34.71 60.12 Favored 'General case' 0 N--CA 1.441 -0.909 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.524 178.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.613 ' HD2' ' O ' ' A' ' 8' ' ' ASN . 48.3 m-70 -86.47 -58.39 2.64 Favored 'General case' 0 CA--C 1.499 -1.01 0 CA-C-O 121.713 0.768 . . . . 0.0 111.081 -179.287 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -104.97 -39.38 5.24 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.0 0 CA-C-N 114.797 -1.092 . . . . 0.0 111.85 -171.089 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.482 ' C ' ' HA ' ' A' ' 10' ' ' CYS . . . 122.73 170.41 13.57 Favored Glycine 0 N--CA 1.435 -1.389 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.428 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.441 ' SG ' HD11 ' A' ' 20' ' ' LEU . 26.1 p -144.46 158.9 43.53 Favored 'General case' 0 C--N 1.291 -1.964 0 CA-C-O 120.923 0.392 . . . . 0.0 110.435 -178.702 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.548 ' O ' HD12 ' A' ' 20' ' ' LEU . 17.3 p -86.68 144.53 27.08 Favored 'General case' 0 N--CA 1.401 -2.91 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.624 178.008 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.546 ' HB2' ' HB3' ' B' ' 6' ' ' GLU . 9.5 tptm -62.7 -34.39 77.06 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 -179.294 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.4 mmm180 -58.29 -31.57 67.61 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.44 172.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.412 ' HB3' ' O ' ' A' ' 16' ' ' THR . 47.4 t -73.6 -47.5 39.83 Favored 'General case' 0 N--CA 1.431 -1.423 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 -177.618 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.567 ' H ' HD12 ' A' ' 20' ' ' LEU . 0.8 OUTLIER -68.77 -27.01 65.51 Favored 'General case' 0 CA--C 1.507 -0.695 0 C-N-CA 119.014 -1.075 . . . . 0.0 109.257 179.749 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.404 ' HB2' HG21 ' B' ' 22' ' ' ILE . . . -68.15 -40.15 82.47 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.814 176.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 27.4 tpt180 . . . . . 0 C--N 1.315 -0.922 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.738 -178.315 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . 0.549 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 23.4 tt0 . . . . . 0 N--CA 1.413 -2.285 0 N-CA-C 106.826 -1.546 . . . . 0.0 106.826 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 4.9 p -143.14 122.76 8.97 Favored 'Isoleucine or valine' 0 C--N 1.256 -3.494 0 CA-C-N 114.999 -1.0 . . . . 0.0 109.204 -179.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.526 ' HB ' HD13 ' B' ' 10' ' ' LEU . 0.2 OUTLIER -126.22 158.32 35.98 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.681 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.979 -176.208 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -116.26 75.24 0.94 Allowed 'General case' 0 N--CA 1.438 -1.037 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 178.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.526 HD13 ' HB ' ' B' ' 8' ' ' ILE . 9.8 mp -111.43 175.87 5.25 Favored 'General case' 0 CA--C 1.475 -1.934 0 CA-C-N 114.935 -1.03 . . . . 0.0 109.414 -179.475 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 45.7 t -156.39 164.17 38.6 Favored 'General case' 0 C--N 1.276 -2.627 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 -176.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 46.53 -123.52 7.3 Favored Glycine 0 C--N 1.303 -1.264 0 O-C-N 124.775 1.297 . . . . 0.0 115.592 178.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -67.41 -24.18 65.63 Favored 'General case' 0 C--N 1.306 -1.291 0 CA-C-N 114.05 -1.075 . . . . 0.0 111.433 -177.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . 0.4 ' HB3' HD23 ' B' ' 10' ' ' LEU . 36.9 mt-10 -72.04 -32.48 67.16 Favored 'General case' 0 N--CA 1.432 -1.343 0 C-N-CA 120.449 -0.5 . . . . 0.0 110.368 177.746 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 79.2 mt -63.21 -41.28 99.13 Favored 'General case' 0 CA--C 1.491 -1.291 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 173.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 43.0 t -62.04 -41.81 92.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 O-C-N 123.701 0.626 . . . . 0.0 109.689 178.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -57.37 -53.35 59.1 Favored 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 177.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.53 -38.72 85.33 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 114.162 -1.381 . . . . 0.0 111.853 179.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . 0.515 ' O ' HG22 ' B' ' 22' ' ' ILE . 87.4 mt-30 -63.92 -51.18 65.66 Favored 'General case' 0 C--N 1.315 -0.91 0 C-N-CA 123.608 0.763 . . . . 0.0 110.936 176.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 77.2 mt -60.67 -28.15 42.19 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.211 0 CA-C-O 121.491 0.662 . . . . 0.0 109.796 175.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.11 -21.67 53.9 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.534 177.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.515 HG22 ' O ' ' B' ' 19' ' ' GLN . 0.1 OUTLIER . . . . . 0 N--CA 1.438 -1.031 0 C-N-CA 120.22 -0.592 . . . . 0.0 109.42 176.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.47 0 N-CA-C 110.723 -0.102 . . . . 0.0 110.723 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.466 HD21 ' HA ' ' A' ' 20' ' ' LEU . 32.7 tp -61.46 -51.04 70.35 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 176.763 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.5 -45.75 69.8 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 114.906 -1.043 . . . . 0.0 111.673 -177.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -70.15 -39.6 75.27 Favored 'General case' 0 C--O 1.207 -1.147 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.141 178.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 26.2 tptp -61.99 -50.75 70.84 Favored 'General case' 0 C--N 1.311 -1.094 0 C-N-CA 122.722 0.409 . . . . 0.0 110.644 -176.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.403 ' HA ' ' CA ' ' A' ' 14' ' ' GLY . 29.6 m -65.62 -37.19 85.88 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-O 120.955 0.407 . . . . 0.0 110.147 -179.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 34.7 t -69.56 -40.45 76.79 Favored 'General case' 0 C--O 1.247 0.967 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.207 -177.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 25.9 m170 -79.95 -54.05 6.17 Favored 'General case' 0 CA--C 1.499 -0.981 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.569 -176.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 18.2 m -117.99 -49.48 4.02 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.775 0 N-CA-C 112.605 0.594 . . . . 0.0 112.605 -177.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.403 ' CA ' ' HA ' ' A' ' 10' ' ' CYS . . . 140.63 173.2 13.31 Favored Glycine 0 C--N 1.291 -1.926 0 N-CA-C 110.753 -0.939 . . . . 0.0 110.753 178.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.0 p -153.99 161.61 41.83 Favored 'General case' 0 C--N 1.293 -1.869 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 178.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.529 ' O ' HD12 ' A' ' 20' ' ' LEU . 22.7 p -81.18 153.53 27.16 Favored 'General case' 0 N--CA 1.408 -2.557 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.563 179.552 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.549 ' HB2' ' HB3' ' B' ' 6' ' ' GLU . 16.1 tptm -61.99 -31.37 71.73 Favored 'General case' 0 C--N 1.283 -2.316 0 C-N-CA 123.668 0.787 . . . . 0.0 110.367 -176.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 25.4 mmm180 -74.82 -21.06 59.5 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.254 175.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.8 t -74.34 -38.8 63.15 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 178.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.529 HD12 ' O ' ' A' ' 16' ' ' THR . 2.7 mp -71.75 -34.37 69.44 Favored 'General case' 0 CA--C 1.497 -1.062 0 C-N-CA 118.729 -1.188 . . . . 0.0 108.424 174.14 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.99 -34.98 70.58 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.334 -0.848 . . . . 0.0 113.06 179.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 . . . . . 0 C--N 1.323 -0.554 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 -177.607 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . 0.509 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 20.8 mm-40 . . . . . 0 N--CA 1.435 -1.185 0 CA-C-O 121.633 0.73 . . . . 0.0 111.853 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.4 p -140.77 129.61 24.98 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.635 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 174.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.428 ' HB ' HD13 ' B' ' 10' ' ' LEU . 22.4 pt -131.76 164.25 35.1 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 CA-C-O 121.171 0.51 . . . . 0.0 110.498 -176.367 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -136.82 91.59 2.65 Favored 'General case' 0 C--N 1.292 -1.901 0 CA-C-N 114.795 -1.093 . . . . 0.0 108.191 176.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.445 HD23 ' HB3' ' B' ' 14' ' ' GLU . 9.2 mp -125.89 175.6 7.56 Favored 'General case' 0 CA--C 1.485 -1.533 0 CA-C-N 114.359 -1.292 . . . . 0.0 108.95 -176.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' CYS . . . . . 0.444 ' O ' ' HB2' ' B' ' 14' ' ' GLU . 39.3 m -148.48 164.12 35.13 Favored 'General case' 0 C--N 1.293 -1.867 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 -178.61 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 49.95 -127.99 25.1 Favored Glycine 0 C--O 1.239 0.42 0 N-CA-C 115.047 0.779 . . . . 0.0 115.047 174.138 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 26.0 mmt180 -63.83 -23.94 67.55 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.139 -0.53 . . . . 0.0 111.738 -179.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . 0.445 ' HB3' HD23 ' B' ' 10' ' ' LEU . 23.4 mm-40 -69.58 -35.58 75.49 Favored 'General case' 0 N--CA 1.436 -1.149 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 -179.385 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.408 HD13 ' HA ' ' A' ' 7' ' ' ALA . 88.9 mt -67.07 -42.19 85.12 Favored 'General case' 0 C--O 1.211 -0.946 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.818 175.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . 0.475 ' O ' HG12 ' B' ' 20' ' ' ILE . 47.0 t -65.73 -42.19 91.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 123.809 0.693 . . . . 0.0 110.234 -178.031 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . 0.467 ' CZ ' ' HA ' ' B' ' 17' ' ' ARG . 0.2 OUTLIER -57.03 -52.47 65.14 Favored 'General case' 0 C--O 1.243 0.762 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 178.616 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.79 -45.43 92.34 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 113.951 -1.477 . . . . 0.0 110.938 178.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . 0.486 ' HG2' ' HB3' ' A' ' 20' ' ' LEU . 74.3 mt-30 -57.78 -51.81 68.06 Favored 'General case' 0 C--N 1.318 -0.776 0 C-N-CA 124.033 0.933 . . . . 0.0 112.549 178.432 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . 0.475 HG12 ' O ' ' B' ' 16' ' ' VAL . 48.1 mm -58.35 -46.56 89.14 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.349 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.048 178.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.21 -43.14 95.94 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.187 0.517 . . . . 0.0 110.722 -179.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.618 HD12 ' HB2' ' A' ' 21' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--N 1.314 -0.974 0 CA-C-O 121.773 0.797 . . . . 0.0 110.021 -178.428 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.242 0.665 0 CA-C-O 120.823 0.344 . . . . 0.0 110.215 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.483 HD21 ' HA ' ' A' ' 20' ' ' LEU . 35.8 tp -63.53 -44.87 92.97 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.623 176.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.408 ' HA ' HD13 ' B' ' 15' ' ' LEU . . . -54.13 -48.69 70.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.511 -178.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -64.85 -40.66 95.51 Favored 'General case' 0 C--O 1.204 -1.337 0 C-N-CA 120.843 -0.343 . . . . 0.0 111.185 177.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.5 tmtm? -61.72 -48.78 79.19 Favored 'General case' 0 C--N 1.307 -1.277 0 C-N-CA 123.005 0.522 . . . . 0.0 110.689 -178.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 34.9 m -71.89 -26.54 62.37 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 122.456 -0.153 . . . . 0.0 111.063 -179.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 45.0 t -79.51 -39.47 31.93 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-O 120.771 0.32 . . . . 0.0 110.473 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -77.24 -53.3 7.89 Favored 'General case' 0 CA--C 1.497 -1.089 0 CA-C-O 120.929 0.395 . . . . 0.0 111.622 -176.183 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.7 m -117.18 -46.16 3.74 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 CA-C-N 115.39 -0.823 . . . . 0.0 112.492 -177.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 125.35 163.54 11.63 Favored Glycine 0 C--N 1.292 -1.885 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 178.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.8 p -147.12 164.13 34.07 Favored 'General case' 0 C--N 1.294 -1.845 0 N-CA-C 110.043 -0.355 . . . . 0.0 110.043 -177.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.503 ' O ' HD12 ' A' ' 20' ' ' LEU . 8.1 p -74.5 153.02 39.29 Favored 'General case' 0 N--CA 1.396 -3.16 0 CA-C-N 115.619 -0.718 . . . . 0.0 109.689 176.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.611 ' HG3' ' CG1' ' B' ' 22' ' ' ILE . 18.4 tptm -67.37 -29.37 68.89 Favored 'General case' 0 C--N 1.281 -2.405 0 N-CA-C 108.069 -1.086 . . . . 0.0 108.069 -178.335 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -65.61 -26.67 67.93 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.705 172.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 31.8 t -73.9 -39.66 63.71 Favored 'General case' 0 N--CA 1.43 -1.451 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 -179.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.503 HD12 ' O ' ' A' ' 16' ' ' THR . 1.6 mp -73.78 -29.3 62.12 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 118.985 -1.086 . . . . 0.0 108.921 175.477 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.618 ' HB2' HD12 ' B' ' 22' ' ' ILE . . . -59.97 -34.46 73.32 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 115.229 -0.896 . . . . 0.0 112.675 178.493 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.8 ptt180 . . . . . 0 CA--C 1.542 0.638 0 CA-C-O 121.094 0.473 . . . . 0.0 112.23 -179.367 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . 0.661 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 15.8 mm-40 . . . . . 0 N--CA 1.437 -1.078 0 CA-C-O 120.621 0.248 . . . . 0.0 110.845 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . 0.458 ' HA ' ' O ' ' A' ' 15' ' ' CYS . 5.5 p -150.89 108.43 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.293 -1.884 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 175.545 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 34.4 pt -133.94 173.17 15.08 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.692 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 -176.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -115.65 139.58 49.99 Favored 'General case' 0 C--N 1.291 -1.948 0 O-C-N 123.809 0.693 . . . . 0.0 109.14 175.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.756 ' HG ' HD23 ' B' ' 15' ' ' LEU . 0.3 OUTLIER -155.09 166.0 34.95 Favored 'General case' 0 C--N 1.291 -1.946 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 -179.44 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' CYS . . . . . 0.482 ' CA ' ' HG ' ' B' ' 15' ' ' LEU . 57.5 m -156.1 158.68 38.15 Favored 'General case' 0 C--N 1.284 -2.27 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 -172.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 47.21 -121.64 6.47 Favored Glycine 0 C--O 1.257 1.585 0 O-C-N 124.486 1.116 . . . . 0.0 115.632 176.167 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . 0.597 ' O ' ' HD3' ' B' ' 17' ' ' ARG . 95.6 mtt180 -63.01 -38.32 90.71 Favored 'General case' 0 C--N 1.308 -1.225 0 CA-C-N 113.679 -1.26 . . . . 0.0 109.262 -178.715 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . 0.462 ' O ' HD12 ' B' ' 10' ' ' LEU . 47.7 mt-10 -61.86 -37.43 84.51 Favored 'General case' 0 C--O 1.245 0.854 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.191 179.577 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.756 HD23 ' HG ' ' B' ' 10' ' ' LEU . 26.4 mt -61.06 -42.69 98.97 Favored 'General case' 0 C--N 1.36 1.037 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 95.5 t -68.01 -43.72 85.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 114.252 -1.34 . . . . 0.0 110.621 -177.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . 0.597 ' HD3' ' O ' ' B' ' 13' ' ' ARG . 6.8 mpt_? -53.92 -45.21 71.13 Favored 'General case' 0 C--N 1.32 -0.704 0 O-C-N 123.704 0.628 . . . . 0.0 112.114 179.734 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . 0.587 ' O ' HG13 ' B' ' 22' ' ' ILE . . . -74.93 -46.29 36.76 Favored 'General case' 0 C--N 1.307 -1.278 0 C-N-CA 120.382 -0.527 . . . . 0.0 110.577 179.077 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . 0.563 ' HG2' ' HB3' ' A' ' 20' ' ' LEU . 70.0 mt-30 -54.67 -54.56 40.09 Favored 'General case' 0 CA--C 1.517 -0.307 0 O-C-N 123.386 0.429 . . . . 0.0 111.994 -179.059 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 46.3 mm -63.43 -36.17 75.2 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.1 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.128 -179.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.54 -48.6 78.8 Favored 'General case' 0 C--O 1.22 -0.475 0 CA-C-N 116.773 -0.194 . . . . 0.0 110.754 178.126 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.587 HG13 ' O ' ' B' ' 18' ' ' ALA . 25.0 mt . . . . . 0 N--CA 1.474 0.753 0 CA-C-O 121.787 0.803 . . . . 0.0 109.761 -179.242 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.466 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.512 HD21 ' HA ' ' A' ' 20' ' ' LEU . 67.0 tp -58.48 -46.4 86.71 Favored 'General case' 0 CA--C 1.517 -0.295 0 O-C-N 123.716 0.635 . . . . 0.0 110.055 178.28 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.73 -51.88 61.92 Favored 'General case' 0 C--N 1.328 -0.362 0 O-C-N 123.728 0.643 . . . . 0.0 111.42 179.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -67.13 -48.43 68.11 Favored 'General case' 0 CA--C 1.51 -0.574 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -61.15 -44.69 96.93 Favored 'General case' 0 C--N 1.312 -1.044 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 -178.119 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.432 ' HA ' ' CA ' ' A' ' 14' ' ' GLY . 4.5 t -77.65 -16.69 58.37 Favored 'General case' 0 C--N 1.295 -1.791 0 CA-C-O 121.295 0.569 . . . . 0.0 110.124 -176.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.437 ' HA ' ' O ' ' B' ' 10' ' ' LEU . 42.0 t -81.15 -34.67 32.28 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-O 121.497 0.665 . . . . 0.0 110.013 176.305 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -89.23 -62.58 1.45 Allowed 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.914 -179.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 29.2 m -96.95 -51.77 10.08 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 CA-C-O 121.339 0.59 . . . . 0.0 111.338 -177.217 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.432 ' CA ' ' HA ' ' A' ' 10' ' ' CYS . . . 133.13 178.22 15.42 Favored Glycine 0 C--N 1.289 -2.06 0 N-CA-C 110.226 -1.15 . . . . 0.0 110.226 178.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.458 ' O ' ' HA ' ' B' ' 7' ' ' VAL . 29.9 p -159.3 165.82 32.6 Favored 'General case' 0 C--N 1.288 -2.102 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 -176.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.526 ' HA ' ' O ' ' B' ' 6' ' ' GLU . 40.4 p -72.21 145.17 48.18 Favored 'General case' 0 N--CA 1.397 -3.098 0 CA-C-O 122.064 0.935 . . . . 0.0 110.115 177.108 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.661 ' HB2' ' HB3' ' B' ' 6' ' ' GLU . 13.7 tptm -65.24 -30.64 71.55 Favored 'General case' 0 C--N 1.268 -2.965 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 39.1 mtm105 -71.58 -21.01 61.93 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.145 175.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.505 ' HB3' ' OG1' ' A' ' 16' ' ' THR . 23.2 p -74.81 -42.93 57.13 Favored 'General case' 0 N--CA 1.435 -1.194 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 179.513 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.563 ' HB3' ' HG2' ' B' ' 19' ' ' GLN . 11.0 mt -63.31 -40.67 97.98 Favored 'General case' 0 CA--C 1.491 -1.29 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 176.246 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.513 ' HB2' HG21 ' B' ' 22' ' ' ILE . . . -55.32 -37.66 67.68 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-N 114.073 -1.421 . . . . 0.0 112.59 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 . . . . . 0 C--O 1.239 0.522 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 -177.524 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . 0.49 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 32.6 mt-10 . . . . . 0 N--CA 1.438 -1.028 0 N-CA-C 114.861 1.43 . . . . 0.0 114.861 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . 0.468 ' HA ' ' HA ' ' A' ' 16' ' ' THR . 3.4 p -133.81 107.93 11.01 Favored 'Isoleucine or valine' 0 C--N 1.271 -2.83 0 CA-C-N 112.715 -2.039 . . . . 0.0 105.945 172.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . 0.269 1.5 pp -119.52 171.93 7.2 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.977 0 N-CA-C 115.012 1.486 . . . . 0.0 115.012 -170.707 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 24.3 tptm -124.64 122.35 37.28 Favored 'General case' 0 C--N 1.293 -1.868 0 CA-C-N 113.926 -1.488 . . . . 0.0 107.993 -173.229 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.742 ' HG ' HD23 ' B' ' 15' ' ' LEU . 0.1 OUTLIER -167.44 169.9 11.82 Favored 'General case' 0 C--N 1.301 -1.535 0 C-N-CA 122.978 0.511 . . . . 0.0 109.757 -175.521 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' CYS . . . . . 0.411 ' CA ' ' HG ' ' B' ' 15' ' ' LEU . 62.7 m -157.45 163.0 38.96 Favored 'General case' 0 C--N 1.292 -1.932 0 N-CA-C 107.081 -1.452 . . . . 0.0 107.081 -178.309 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 46.53 -124.44 7.98 Favored Glycine 0 C--O 1.246 0.904 0 N-CA-C 115.821 1.088 . . . . 0.0 115.821 175.45 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 22.4 mtp180 -66.11 -29.87 70.27 Favored 'General case' 0 C--N 1.298 -1.639 0 CA-C-N 113.884 -1.158 . . . . 0.0 111.301 -177.559 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . 0.449 ' O ' HD12 ' B' ' 10' ' ' LEU . 9.3 mm-40 -66.01 -34.95 79.26 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.093 176.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.742 HD23 ' HG ' ' B' ' 10' ' ' LEU . 22.0 mt -63.4 -42.57 98.79 Favored 'General case' 0 C--N 1.35 0.593 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 178.433 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 44.1 t -66.82 -40.08 85.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 114.429 -1.26 . . . . 0.0 110.237 -177.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . 0.438 ' HD2' ' OE1' ' B' ' 14' ' ' GLU . 90.7 mtt180 -56.2 -46.1 79.58 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.813 -0.63 . . . . 0.0 112.506 177.219 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . 0.653 ' O ' HG13 ' B' ' 22' ' ' ILE . . . -68.89 -42.92 76.29 Favored 'General case' 0 C--N 1.305 -1.34 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.339 178.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . 0.566 ' HG2' ' HB3' ' A' ' 20' ' ' LEU . 93.0 mt-30 -52.28 -55.86 18.54 Favored 'General case' 0 C--O 1.241 0.614 0 C-N-CA 123.627 0.771 . . . . 0.0 111.243 178.226 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 80.7 mt -57.79 -42.18 81.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.875 178.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.89 -19.29 65.7 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.026 -0.534 . . . . 0.0 112.404 -179.014 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.653 HG13 ' O ' ' B' ' 18' ' ' ALA . 66.8 mt . . . . . 0 C--O 1.206 -1.19 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 178.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.82 0 CA-C-O 119.246 -0.407 . . . . 0.0 111.733 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.609 HD12 ' SG ' ' A' ' 15' ' ' CYS . 55.0 tp -48.68 -56.67 7.88 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 124.093 0.957 . . . . 0.0 112.282 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.56 -45.11 81.42 Favored 'General case' 0 CA--C 1.512 -0.486 0 O-C-N 123.631 0.582 . . . . 0.0 111.02 -177.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -72.23 -36.14 69.04 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.233 -178.313 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 57.5 tttp -67.81 -52.85 32.27 Favored 'General case' 0 C--N 1.307 -1.26 0 C-N-CA 122.928 0.491 . . . . 0.0 109.873 -176.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.604 ' HB3' HD23 ' B' ' 10' ' ' LEU . 27.7 m -68.04 -21.06 65.03 Favored 'General case' 0 C--N 1.306 -1.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.652 178.661 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 13.3 t -81.45 -34.75 31.25 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-O 120.921 0.391 . . . . 0.0 110.425 179.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 43.2 m-70 -89.83 -56.5 3.21 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -178.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 17.7 m -108.74 -48.25 7.4 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.611 0 N-CA-C 112.678 0.621 . . . . 0.0 112.678 -176.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.494 ' HA2' ' HA ' ' A' ' 10' ' ' CYS . . . 125.87 149.79 7.51 Favored Glycine 0 C--N 1.286 -2.231 0 N-CA-C 109.18 -1.568 . . . . 0.0 109.18 -178.247 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.609 ' SG ' HD12 ' A' ' 6' ' ' LEU 0.271 9.0 p -151.3 164.96 35.47 Favored 'General case' 0 C--N 1.293 -1.886 0 CA-C-N 117.322 0.561 . . . . 0.0 112.409 -177.842 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.468 ' HA ' ' HA ' ' B' ' 7' ' ' VAL . 35.4 p -62.69 144.58 56.19 Favored 'General case' 0 N--CA 1.418 -2.071 0 N-CA-C 115.071 1.508 . . . . 0.0 115.071 -172.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.49 ' HB2' ' HB3' ' B' ' 6' ' ' GLU . 20.4 tptm -63.57 -31.32 72.45 Favored 'General case' 0 C--N 1.292 -1.912 0 CA-C-N 113.266 -1.788 . . . . 0.0 107.43 177.331 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.1 mmm180 -66.0 -27.23 67.97 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.647 175.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 32.0 t -74.47 -33.59 62.92 Favored 'General case' 0 N--CA 1.425 -1.678 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 -179.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.566 ' HB3' ' HG2' ' B' ' 19' ' ' GLN . 2.3 mp -81.21 -30.36 34.28 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 119.66 -0.816 . . . . 0.0 109.486 173.138 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.405 ' HB2' HG21 ' B' ' 22' ' ' ILE . . . -56.02 -40.03 72.8 Favored 'General case' 0 N--CA 1.483 1.205 0 CA-C-N 115.243 -0.89 . . . . 0.0 112.279 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.0 ptp180 . . . . . 0 C--N 1.316 -0.888 0 CA-C-N 115.946 -0.57 . . . . 0.0 112.122 -178.658 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . 0.65 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 32.2 tt0 . . . . . 0 N--CA 1.417 -2.11 0 N-CA-C 103.913 -2.625 . . . . 0.0 103.913 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 4.4 p -150.91 121.32 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.275 -2.667 0 O-C-N 123.743 0.652 . . . . 0.0 109.752 -178.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 27.7 pt -138.14 172.62 13.87 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.344 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.531 -178.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -118.29 137.75 52.85 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 179.068 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.78 ' HG ' HD23 ' B' ' 15' ' ' LEU . 0.2 OUTLIER -164.2 168.47 18.86 Favored 'General case' 0 C--N 1.306 -1.3 0 C-N-CA 123.683 0.793 . . . . 0.0 109.148 -174.685 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' CYS . . . . . 0.485 ' CA ' ' HG ' ' B' ' 15' ' ' LEU . 60.2 m -158.81 162.14 37.0 Favored 'General case' 0 C--N 1.296 -1.756 0 N-CA-C 107.516 -1.29 . . . . 0.0 107.516 -175.199 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 48.1 -130.16 18.59 Favored Glycine 0 N--CA 1.469 0.87 0 N-CA-C 114.747 0.659 . . . . 0.0 114.747 175.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . 0.538 ' O ' ' HG3' ' B' ' 17' ' ' ARG . 24.3 tpt180 -63.85 -28.34 69.78 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 115.077 -0.562 . . . . 0.0 111.005 179.463 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . 0.479 ' O ' HD12 ' B' ' 10' ' ' LEU . 59.6 mm-40 -63.0 -37.24 86.37 Favored 'General case' 0 CA--C 1.512 -0.481 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 176.383 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.78 HD23 ' HG ' ' B' ' 10' ' ' LEU . 27.3 mt -62.04 -42.59 99.34 Favored 'General case' 0 C--N 1.349 0.584 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 178.493 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 31.4 t -70.24 -28.79 36.9 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.911 0 CA-C-N 113.883 -1.508 . . . . 0.0 110.252 -177.186 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . 0.538 ' HG3' ' O ' ' B' ' 13' ' ' ARG . 76.5 mtp180 -62.77 -49.14 76.17 Favored 'General case' 0 N--CA 1.438 -1.07 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.523 177.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . 0.464 ' O ' HG12 ' B' ' 22' ' ' ILE . . . -73.16 -39.46 65.63 Favored 'General case' 0 C--N 1.302 -1.464 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.917 179.099 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . 0.469 ' CG ' ' HB3' ' A' ' 20' ' ' LEU . 48.5 mt-30 -58.18 -60.68 3.38 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 122.955 0.502 . . . . 0.0 112.122 179.498 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 51.7 mt -63.7 -29.87 48.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.698 -0.228 . . . . 0.0 111.27 -179.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.45 -38.13 88.6 Favored 'General case' 0 C--O 1.204 -1.333 0 N-CA-C 109.811 -0.441 . . . . 0.0 109.811 176.391 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.464 HG12 ' O ' ' B' ' 18' ' ' ALA . 38.2 mm . . . . . 0 C--O 1.239 0.508 0 CA-C-O 121.481 0.658 . . . . 0.0 110.149 176.406 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.203 -1.383 0 CA-C-O 119.743 -0.17 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.49 HD11 ' O ' ' A' ' 19' ' ' SER . 7.2 tt -60.17 -53.45 57.55 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 -179.16 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.09 -43.69 78.3 Favored 'General case' 0 C--O 1.244 0.788 0 CA-C-O 121.381 0.61 . . . . 0.0 110.86 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -69.58 -40.97 76.41 Favored 'General case' 0 C--O 1.206 -1.204 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.082 -179.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -58.24 -47.78 82.46 Favored 'General case' 0 C--N 1.308 -1.197 0 C-N-CA 123.683 0.793 . . . . 0.0 110.225 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.448 ' HB3' HD23 ' B' ' 10' ' ' LEU . 24.0 m -65.61 -30.83 71.6 Favored 'General case' 0 C--N 1.311 -1.088 0 O-C-N 123.654 0.596 . . . . 0.0 110.409 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.9 t -81.91 -34.71 29.78 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-O 121.014 0.435 . . . . 0.0 110.969 -178.241 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 11.3 m170 -77.16 -52.98 8.34 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-O 120.98 0.419 . . . . 0.0 111.609 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 17.5 m -125.74 -48.07 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.538 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.162 -175.249 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 139.74 170.68 12.03 Favored Glycine 0 C--N 1.291 -1.94 0 N-CA-C 109.534 -1.427 . . . . 0.0 109.534 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.5 p -149.86 164.75 34.52 Favored 'General case' 0 C--N 1.292 -1.902 0 CA-C-N 117.249 0.525 . . . . 0.0 109.827 -177.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.484 ' O ' ' HB3' ' A' ' 19' ' ' SER . 63.2 p -80.66 149.62 29.73 Favored 'General case' 0 N--CA 1.406 -2.641 0 CA-C-O 121.23 0.538 . . . . 0.0 110.073 179.569 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.65 ' HB2' ' HB3' ' B' ' 6' ' ' GLU . 12.7 tptm -63.53 -29.32 70.6 Favored 'General case' 0 C--N 1.288 -2.105 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.275 -176.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.514 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 26.4 ptt180 -62.15 -36.37 81.62 Favored 'General case' 0 N--CA 1.487 1.4 0 CA-C-O 121.898 0.856 . . . . 0.0 110.661 173.754 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.49 ' O ' HD11 ' A' ' 6' ' ' LEU . 27.6 t -63.29 -54.18 41.2 Favored 'General case' 0 C--N 1.28 -2.432 0 CA-C-N 114.158 -1.383 . . . . 0.0 109.12 -179.132 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.563 ' H ' HD12 ' A' ' 20' ' ' LEU . 0.6 OUTLIER -70.11 -20.68 63.17 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 119.626 -0.83 . . . . 0.0 110.151 178.816 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.44 ' HA ' HG21 ' B' ' 22' ' ' ILE . . . -64.1 -35.07 79.57 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.452 0.644 . . . . 0.0 110.382 177.673 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.514 ' HG3' ' O ' ' A' ' 18' ' ' ARG . 95.4 mtt180 . . . . . 0 CA--C 1.502 -0.883 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.019 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . 0.542 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 35.8 mm-40 . . . . . 0 N--CA 1.425 -1.701 0 CA-C-O 121.756 0.789 . . . . 0.0 111.405 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . 0.506 ' HA ' ' HA ' ' A' ' 16' ' ' THR . 5.9 p -145.46 133.13 15.94 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.75 0 CA-C-N 114.041 -1.436 . . . . 0.0 107.852 178.548 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.431 ' HB ' HD13 ' B' ' 10' ' ' LEU . 0.2 OUTLIER -141.61 159.22 21.69 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.582 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 -179.189 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -123.82 79.22 1.69 Allowed 'General case' 0 C--N 1.287 -2.142 0 CA-C-O 122.163 0.982 . . . . 0.0 110.314 176.127 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.431 HD13 ' HB ' ' B' ' 8' ' ' ILE . 8.7 mp -107.0 174.16 6.01 Favored 'General case' 0 CA--C 1.483 -1.617 0 CA-C-N 114.29 -1.323 . . . . 0.0 109.721 179.677 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 48.6 t -153.98 160.27 41.99 Favored 'General case' 0 C--N 1.28 -2.434 0 C-N-CA 120.342 -0.543 . . . . 0.0 109.898 -174.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 50.94 -121.95 12.54 Favored Glycine 0 C--N 1.302 -1.312 0 O-C-N 124.925 1.391 . . . . 0.0 114.206 179.07 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 80.1 mtm180 -63.8 -39.96 95.49 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-N 114.336 -0.932 . . . . 0.0 111.229 -177.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -66.69 -34.11 77.14 Favored 'General case' 0 CA--C 1.498 -1.022 0 CA-C-O 121.943 0.877 . . . . 0.0 109.599 -176.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.487 ' CD2' ' HA ' ' A' ' 7' ' ' ALA . 20.2 tp -68.17 -39.86 82.43 Favored 'General case' 0 C--N 1.295 -1.799 0 CA-C-N 114.579 -1.192 . . . . 0.0 109.693 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 86.9 t -66.93 -37.98 80.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 175.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 48.4 mtp85 -59.68 -44.28 93.67 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.076 177.217 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.18 -34.99 79.7 Favored 'General case' 0 C--N 1.32 -0.704 0 O-C-N 123.813 0.696 . . . . 0.0 110.531 178.008 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . 0.459 ' O ' HG22 ' B' ' 22' ' ' ILE . 49.3 mt-30 -64.87 -52.14 58.17 Favored 'General case' 0 C--N 1.314 -0.967 0 C-N-CA 123.512 0.725 . . . . 0.0 110.851 176.049 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 70.2 mt -60.92 -33.85 57.26 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.244 0 CA-C-O 121.4 0.619 . . . . 0.0 109.597 175.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.69 -34.46 76.95 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.649 177.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.459 HG22 ' O ' ' B' ' 19' ' ' GLN . 0.2 OUTLIER . . . . . 0 C--O 1.205 -1.248 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 179.573 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.914 0 CA-C-O 119.801 -0.142 . . . . 0.0 111.325 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 49.3 tp -63.38 -51.88 64.01 Favored 'General case' 0 CA--C 1.519 -0.238 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 178.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.487 ' HA ' ' CD2' ' B' ' 15' ' ' LEU . . . -54.07 -49.24 69.48 Favored 'General case' 0 CA--C 1.507 -0.684 0 O-C-N 123.9 0.75 . . . . 0.0 110.883 -178.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -61.07 -42.3 98.23 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.997 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -66.89 -48.55 68.39 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.411 -174.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 12.2 m -70.71 -33.4 70.83 Favored 'General case' 0 C--N 1.296 -1.725 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 -179.054 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.5 t -68.61 -33.62 74.36 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 116.145 -0.479 . . . . 0.0 109.72 -178.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -95.16 -61.7 1.43 Allowed 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -179.207 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.8 m -100.13 -50.47 10.57 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.226 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -175.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 131.16 161.39 10.23 Favored Glycine 0 N--CA 1.427 -1.928 0 N-CA-C 110.544 -1.022 . . . . 0.0 110.544 -179.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.0 p -142.45 158.95 43.14 Favored 'General case' 0 C--N 1.281 -2.38 0 CA-C-O 121.116 0.484 . . . . 0.0 109.782 -179.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.583 ' O ' HD12 ' A' ' 20' ' ' LEU . 23.3 p -80.12 150.34 30.28 Favored 'General case' 0 N--CA 1.387 -3.588 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.399 178.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.542 ' HB2' ' HB3' ' B' ' 6' ' ' GLU . 2.7 tppp? -60.59 -33.24 72.44 Favored 'General case' 0 C--N 1.297 -1.697 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 179.302 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 40.1 mtm105 -62.68 -31.38 72.26 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 114.204 -1.362 . . . . 0.0 109.86 176.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 45.6 t -73.96 -46.17 45.64 Favored 'General case' 0 N--CA 1.428 -1.563 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.433 -179.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.583 HD12 ' O ' ' A' ' 16' ' ' THR . 1.4 mp -67.4 -30.01 69.67 Favored 'General case' 0 CA--C 1.489 -1.371 0 C-N-CA 118.995 -1.082 . . . . 0.0 108.688 178.128 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.65 -41.9 91.58 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 123.96 0.787 . . . . 0.0 112.147 178.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 24.5 ptt85 . . . . . 0 C--N 1.327 -0.396 0 C-N-CA 120.138 -0.625 . . . . 0.0 111.83 -178.544 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . 0.591 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 21.0 tt0 . . . . . 0 N--CA 1.419 -2.014 0 N-CA-C 104.131 -2.544 . . . . 0.0 104.131 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 4.2 p -141.83 128.77 20.09 Favored 'Isoleucine or valine' 0 C--N 1.262 -3.198 0 CA-C-O 121.729 0.776 . . . . 0.0 109.846 -176.115 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.482 ' HB ' HD13 ' B' ' 10' ' ' LEU . 27.8 pt -122.73 167.16 16.63 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.236 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.619 -178.066 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -135.52 76.65 1.63 Allowed 'General case' 0 C--N 1.278 -2.51 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 177.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.482 HD13 ' HB ' ' B' ' 8' ' ' ILE . 9.6 mp -115.33 175.67 5.41 Favored 'General case' 0 CA--C 1.481 -1.693 0 CA-C-N 114.165 -1.379 . . . . 0.0 109.384 -179.251 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 59.3 m -151.77 168.03 26.35 Favored 'General case' 0 C--N 1.284 -2.261 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 -175.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 43.68 -123.01 4.29 Favored Glycine 0 C--O 1.246 0.866 0 O-C-N 124.877 1.36 . . . . 0.0 116.214 171.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . 0.524 ' O ' ' HG3' ' B' ' 17' ' ' ARG . 30.6 mmm180 -70.5 -32.26 69.68 Favored 'General case' 0 C--N 1.298 -1.644 0 CA-C-N 114.181 -1.009 . . . . 0.0 112.063 -177.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . 0.406 ' O ' HD23 ' B' ' 10' ' ' LEU . 46.1 mm-40 -64.67 -34.39 78.18 Favored 'General case' 0 CA--C 1.503 -0.836 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 178.48 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.546 ' O ' ' HG3' ' B' ' 19' ' ' GLN . 11.0 tp -66.9 -41.62 86.83 Favored 'General case' 0 N--CA 1.431 -1.389 0 CA-C-N 114.756 -1.111 . . . . 0.0 108.728 -178.416 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 54.0 t -67.79 -38.24 79.88 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.421 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.421 178.152 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . 0.524 ' HG3' ' O ' ' B' ' 13' ' ' ARG . 81.3 mtp180 -57.57 -42.35 82.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.214 0.53 . . . . 0.0 110.61 176.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . 0.514 ' O ' HG13 ' B' ' 22' ' ' ILE . . . -70.78 -41.26 71.94 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.09 179.438 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . 0.546 ' HG3' ' O ' ' B' ' 15' ' ' LEU . 37.1 mt-30 -56.92 -56.11 25.83 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.801 176.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 78.4 mt -55.93 -35.02 39.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.318 -0.856 . . . . 0.0 111.219 179.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.0 -33.22 75.53 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.059 0.457 . . . . 0.0 110.451 177.143 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.514 HG13 ' O ' ' B' ' 18' ' ' ALA . 53.6 mt . . . . . 0 C--N 1.324 -0.518 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 177.115 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.559 0 CA-C-O 120.253 0.073 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 53.0 tp -61.17 -45.92 92.63 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 177.29 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.466 ' HA ' ' CD2' ' B' ' 15' ' ' LEU . . . -57.48 -45.46 84.81 Favored 'General case' 0 C--O 1.24 0.578 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.553 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 19.6 m120 -64.38 -48.93 73.57 Favored 'General case' 0 CA--C 1.507 -0.688 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.091 177.126 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -59.31 -52.65 64.73 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.712 -173.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 41.7 m -65.39 -30.71 71.55 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-O 120.593 0.235 . . . . 0.0 110.822 -179.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.6 t -79.84 -31.3 40.51 Favored 'General case' 0 N--CA 1.427 -1.598 0 C-N-CA 120.244 -0.582 . . . . 0.0 111.356 -177.067 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 20.5 m-70 -85.97 -51.76 6.15 Favored 'General case' 0 CA--C 1.508 -0.65 0 CA-C-O 121.149 0.499 . . . . 0.0 112.033 -179.453 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.8 m -116.32 -44.99 3.79 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.658 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.893 -176.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 127.41 173.84 13.6 Favored Glycine 0 C--N 1.291 -1.965 0 N-CA-C 110.09 -1.204 . . . . 0.0 110.09 178.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.2 p -151.72 160.94 43.41 Favored 'General case' 0 C--N 1.286 -2.196 0 CA-C-N 116.972 0.386 . . . . 0.0 110.292 -178.214 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.451 ' O ' ' HB3' ' A' ' 19' ' ' SER . 30.2 p -81.44 157.93 24.75 Favored 'General case' 0 N--CA 1.398 -3.031 0 CA-C-O 121.536 0.684 . . . . 0.0 109.472 178.216 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.591 ' HB2' ' HB3' ' B' ' 6' ' ' GLU . 9.7 tptm -65.53 -28.98 69.56 Favored 'General case' 0 C--N 1.271 -2.805 0 N-CA-C 108.482 -0.932 . . . . 0.0 108.482 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 54.3 mtm180 -61.69 -30.94 71.07 Favored 'General case' 0 N--CA 1.488 1.469 0 CA-C-O 121.278 0.561 . . . . 0.0 111.096 170.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.451 ' HB3' ' O ' ' A' ' 16' ' ' THR . 29.6 t -69.71 -40.93 75.98 Favored 'General case' 0 N--CA 1.426 -1.636 0 CA-C-N 115.393 -0.821 . . . . 0.0 108.796 -177.229 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.489 ' HB3' ' HG2' ' B' ' 19' ' ' GLN . 1.5 mp -77.48 -35.14 53.97 Favored 'General case' 0 C--O 1.199 -1.594 0 C-N-CA 118.781 -1.167 . . . . 0.0 109.289 174.609 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.07 -32.19 67.79 Favored 'General case' 0 N--CA 1.485 1.291 0 N-CA-C 113.245 0.832 . . . . 0.0 113.245 -176.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.405 ' HG2' ' O ' ' A' ' 19' ' ' SER . 18.0 ptp180 . . . . . 0 C--N 1.317 -0.816 0 CA-C-O 121.095 0.474 . . . . 0.0 111.507 179.171 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . 0.606 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 23.8 tt0 . . . . . 0 CA--C 1.503 -0.864 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 9.7 p -142.84 138.97 27.97 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.221 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -178.227 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.415 HD12 ' CD ' ' A' ' 17' ' ' LYS . 0.2 OUTLIER -141.19 169.11 15.17 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.201 0 N-CA-C 108.525 -0.916 . . . . 0.0 108.525 -179.014 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -125.93 86.06 2.48 Favored 'General case' 0 C--N 1.308 -1.233 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 177.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 8.8 mp -120.01 173.06 7.3 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.016 -177.383 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 16.7 m -149.85 160.57 43.47 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 -179.102 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 45.43 -120.66 4.29 Favored Glycine 0 CA--C 1.505 -0.557 0 N-CA-C 116.15 1.22 . . . . 0.0 116.15 172.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -58.23 -35.08 71.16 Favored 'General case' 0 C--N 1.31 -1.111 0 C-N-CA 124.712 1.205 . . . . 0.0 111.204 -178.22 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -68.23 -36.62 79.78 Favored 'General case' 0 N--CA 1.44 -0.958 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 -179.44 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 96.3 mt -62.53 -41.3 98.78 Favored 'General case' 0 C--O 1.215 -0.72 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.856 176.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 59.0 t -66.39 -43.41 91.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 179.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 82.9 mtt180 -57.01 -43.44 81.79 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.632 176.183 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . 0.573 ' O ' HG13 ' B' ' 22' ' ' ILE . . . -67.01 -46.23 75.13 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.605 178.516 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . 0.414 ' HG2' ' HB3' ' A' ' 20' ' ' LEU . 84.5 mt-30 -56.42 -55.79 29.27 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 124.222 1.009 . . . . 0.0 111.259 177.602 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 47.1 mm -59.46 -34.42 54.49 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.036 178.296 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.95 -39.13 93.72 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-O 120.929 0.395 . . . . 0.0 110.261 177.355 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.573 HG13 ' O ' ' B' ' 18' ' ' ALA . 68.1 mt . . . . . 0 C--O 1.211 -0.945 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.828 179.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.405 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.7 tp -57.68 -47.33 82.63 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.067 176.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.02 -53.3 59.8 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.5 -179.411 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -63.89 -43.97 94.41 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.315 -179.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -56.75 -50.22 72.89 Favored 'General case' 0 CA--C 1.488 -1.44 0 O-C-N 123.15 0.281 . . . . 0.0 111.532 178.16 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.482 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 4.2 t -68.62 -31.15 70.1 Favored 'General case' 0 C--N 1.296 -1.757 0 O-C-N 123.547 0.529 . . . . 0.0 110.269 -175.394 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 8.5 t -77.21 -32.6 56.04 Favored 'General case' 0 N--CA 1.424 -1.748 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.231 -177.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 35.9 m-70 -91.24 -53.75 4.22 Favored 'General case' 0 CA--C 1.515 -0.404 0 N-CA-C 113.175 0.805 . . . . 0.0 113.175 -178.517 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.9 m -111.4 -45.51 5.72 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.617 0 CA-C-O 121.507 0.67 . . . . 0.0 111.866 -176.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.482 ' C ' ' HA ' ' A' ' 10' ' ' CYS . . . 139.26 164.73 10.0 Favored Glycine 0 C--N 1.284 -2.334 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.686 177.544 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.499 ' SG ' HD11 ' A' ' 20' ' ' LEU . 28.9 p -134.15 163.19 30.15 Favored 'General case' 0 C--N 1.29 -1.982 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 -179.384 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.52 ' O ' HD12 ' A' ' 20' ' ' LEU . 12.4 p -97.83 145.28 26.56 Favored 'General case' 0 N--CA 1.409 -2.479 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.656 179.691 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.606 ' HB2' ' HB3' ' B' ' 6' ' ' GLU . 1.2 tptm -59.26 -35.85 74.45 Favored 'General case' 0 C--N 1.297 -1.694 0 CA-C-N 115.578 -0.737 . . . . 0.0 112.083 -175.516 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 43.8 mtp180 -67.43 -26.51 66.45 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 121.485 0.66 . . . . 0.0 110.054 176.44 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.2 t -73.87 -33.44 64.06 Favored 'General case' 0 N--CA 1.424 -1.748 0 CA-C-N 115.569 -0.742 . . . . 0.0 109.373 -177.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.52 HD12 ' O ' ' A' ' 16' ' ' THR . 1.5 mp -79.3 -31.02 43.14 Favored 'General case' 0 CA--C 1.504 -0.806 0 C-N-CA 118.392 -1.323 . . . . 0.0 108.517 173.573 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.68 -36.63 76.86 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.243 -0.889 . . . . 0.0 112.612 -179.007 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 35.3 ptt180 . . . . . 0 C--N 1.315 -0.91 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -179.686 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 . . . . . 0 CA--C 1.484 -1.59 0 N-CA-C 104.404 -2.443 . . . . 0.0 104.404 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 5.9 p -144.43 139.38 23.96 Favored 'Isoleucine or valine' 0 C--N 1.26 -3.302 0 O-C-N 123.806 0.692 . . . . 0.0 109.651 -173.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.419 ' HB ' HD13 ' B' ' 10' ' ' LEU . 31.0 pt -134.21 169.65 21.24 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.144 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 -179.267 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -140.16 70.61 1.36 Allowed 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 107.721 -1.214 . . . . 0.0 107.721 176.417 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.517 ' O ' HD13 ' B' ' 15' ' ' LEU . 9.4 mp -107.4 176.02 5.3 Favored 'General case' 0 C--N 1.293 -1.851 0 CA-C-N 114.628 -1.169 . . . . 0.0 109.562 179.594 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 83.4 m -154.49 166.27 33.81 Favored 'General case' 0 C--N 1.286 -2.152 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 -176.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 53.16 -128.89 38.92 Favored Glycine 0 CA--C 1.495 -1.186 0 O-C-N 124.227 0.955 . . . . 0.0 114.299 174.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . 0.618 ' O ' ' HG3' ' B' ' 17' ' ' ARG . 41.0 mmt180 -71.41 -28.0 63.7 Favored 'General case' 0 C--N 1.3 -1.564 0 CA-C-N 114.685 -0.758 . . . . 0.0 111.499 -177.457 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -75.23 -28.71 60.0 Favored 'General case' 0 CA--C 1.498 -1.057 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 -178.477 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.517 HD13 ' O ' ' B' ' 10' ' ' LEU . 18.1 tp -67.12 -41.13 86.73 Favored 'General case' 0 N--CA 1.431 -1.415 0 CA-C-N 114.965 -1.016 . . . . 0.0 108.269 177.606 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . 0.465 ' O ' HG13 ' B' ' 20' ' ' ILE . 44.7 t -68.9 -36.66 75.13 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.989 0 CA-C-N 115.048 -0.978 . . . . 0.0 109.693 178.753 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . 0.618 ' HG3' ' O ' ' B' ' 13' ' ' ARG . 91.1 mtt-85 -55.57 -46.26 77.23 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-O 121.253 0.549 . . . . 0.0 110.837 176.449 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.82 -39.91 79.77 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.59 178.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . 0.471 ' HG2' ' HB3' ' A' ' 20' ' ' LEU . 42.5 mt-30 -59.71 -55.25 36.69 Favored 'General case' 0 C--O 1.206 -1.197 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.32 177.244 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . 0.465 HG13 ' O ' ' B' ' 16' ' ' VAL . 81.0 mt -50.97 -44.36 27.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 123.833 0.853 . . . . 0.0 110.689 179.635 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.25 -44.38 95.3 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.818 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.451 HD12 ' HB2' ' A' ' 21' ' ' ALA . 0.4 OUTLIER . . . . . 0 CA--C 1.547 0.858 0 CA-C-O 122.106 0.955 . . . . 0.0 109.957 -178.188 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 -0.23 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.441 HD21 ' HA ' ' A' ' 20' ' ' LEU . 50.0 tp -57.51 -50.34 73.38 Favored 'General case' 0 CA--C 1.528 0.104 0 CA-C-N 115.595 -0.729 . . . . 0.0 109.749 177.61 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.71 -48.06 75.8 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.351 179.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -58.63 -43.43 89.71 Favored 'General case' 0 C--O 1.215 -0.756 0 CA-C-N 114.893 -1.049 . . . . 0.0 111.147 178.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.8 mmtm -65.82 -52.33 51.53 Favored 'General case' 0 C--N 1.313 -1.021 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 179.103 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 34.1 m -64.85 -35.66 81.85 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 123.198 0.311 . . . . 0.0 111.289 -177.182 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.5 t -78.86 -30.14 44.94 Favored 'General case' 0 N--CA 1.432 -1.351 0 C-N-CA 120.335 -0.546 . . . . 0.0 110.472 -176.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 15.3 m170 -81.83 -56.94 3.66 Favored 'General case' 0 CA--C 1.503 -0.856 0 C-N-CA 120.455 -0.498 . . . . 0.0 111.809 179.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.3 m -118.59 -42.07 2.49 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.511 0 CA-C-O 121.711 0.767 . . . . 0.0 111.981 -174.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 133.08 176.37 14.37 Favored Glycine 0 N--CA 1.416 -2.692 0 N-CA-C 109.912 -1.275 . . . . 0.0 109.912 178.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.3 p -153.58 160.98 42.6 Favored 'General case' 0 C--N 1.284 -2.254 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 -179.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.447 ' O ' HD22 ' A' ' 20' ' ' LEU . 45.1 p -80.91 156.87 25.82 Favored 'General case' 0 N--CA 1.399 -3.022 0 CA-C-O 121.953 0.882 . . . . 0.0 109.932 178.217 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.417 ' HD3' HD23 ' A' ' 20' ' ' LEU . 1.5 tppp? -66.1 -32.02 73.23 Favored 'General case' 0 C--N 1.272 -2.789 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.178 179.457 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.501 ' HA ' ' HB3' ' A' ' 21' ' ' ALA . 47.3 mtm105 -70.6 -20.59 62.75 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.701 172.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.1 t -72.92 -38.27 66.91 Favored 'General case' 0 N--CA 1.439 -1.002 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.471 ' HB3' ' HG2' ' B' ' 19' ' ' GLN . 0.7 OUTLIER -72.04 -44.17 63.78 Favored 'General case' 0 CA--C 1.489 -1.376 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 173.396 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.501 ' HB3' ' HA ' ' A' ' 18' ' ' ARG . . . -51.97 -33.97 40.26 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 114.285 1.217 . . . . 0.0 114.285 -177.377 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.4 ptt180 . . . . . 0 N--CA 1.469 0.515 0 N-CA-C 112.419 0.525 . . . . 0.0 112.419 -178.656 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . 0.557 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 6.4 tp10 . . . . . 0 N--CA 1.432 -1.368 0 N-CA-C 106.924 -1.51 . . . . 0.0 106.924 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.4 p -151.58 132.95 4.92 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.643 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.136 -178.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -135.65 161.61 38.45 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.525 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 179.715 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 14.7 ptmm? -122.22 83.36 2.09 Favored 'General case' 0 C--N 1.31 -1.152 0 CA-C-O 122.3 1.048 . . . . 0.0 111.279 177.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.401 HD23 ' HB3' ' B' ' 14' ' ' GLU . 8.6 mp -107.8 175.56 5.44 Favored 'General case' 0 C--N 1.296 -1.754 0 CA-C-N 114.741 -1.118 . . . . 0.0 110.059 -178.696 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 29.1 m -147.37 164.58 32.85 Favored 'General case' 0 C--N 1.293 -1.856 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 -179.099 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 48.0 -125.66 12.66 Favored Glycine 0 C--O 1.259 1.678 0 N-CA-C 116.084 1.193 . . . . 0.0 116.084 173.308 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 21.9 mmt180 -71.71 -18.96 62.12 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-N 114.123 -1.038 . . . . 0.0 112.74 -177.178 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . 0.401 ' HB3' HD23 ' B' ' 10' ' ' LEU . 62.8 mm-40 -70.68 -34.62 72.17 Favored 'General case' 0 N--CA 1.444 -0.771 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 176.392 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 80.9 mt -63.94 -41.86 97.5 Favored 'General case' 0 CA--C 1.503 -0.843 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.977 175.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 49.0 t -66.56 -44.26 90.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 179.264 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -58.68 -38.86 79.13 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.188 177.263 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . 0.632 ' O ' HG13 ' B' ' 22' ' ' ILE . . . -66.2 -55.15 17.66 Favored 'General case' 0 C--N 1.307 -1.27 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.622 176.194 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . 0.485 ' CG ' ' HB3' ' A' ' 20' ' ' LEU . 56.4 mt-30 -50.05 -56.27 11.46 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.065 1.346 . . . . 0.0 112.621 -179.625 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 51.8 mm -61.07 -39.05 80.99 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.013 -179.27 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.34 -29.73 67.61 Favored 'General case' 0 C--O 1.22 -0.483 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.157 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.632 HG13 ' O ' ' B' ' 18' ' ' ALA . 79.3 mt . . . . . 0 CA--C 1.51 -0.578 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 177.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.604 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 65.8 tp -61.84 -40.3 94.84 Favored 'General case' 0 CA--C 1.518 -0.261 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 176.446 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.42 -52.26 66.09 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 115.188 -0.914 . . . . 0.0 110.983 178.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -60.04 -49.06 79.15 Favored 'General case' 0 C--O 1.218 -0.586 0 O-C-N 123.322 0.389 . . . . 0.0 110.931 179.512 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 44.8 tttp -60.01 -44.96 94.22 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.29 -177.009 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.542 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 10.0 t -71.36 -32.77 68.9 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.196 -178.764 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.7 t -74.67 -30.53 61.62 Favored 'General case' 0 N--CA 1.427 -1.576 0 CA-C-N 116.3 -0.409 . . . . 0.0 109.979 -178.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 21.5 m-70 -83.28 -57.97 3.04 Favored 'General case' 0 CA--C 1.514 -0.417 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 178.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.0 m -112.32 -51.75 5.67 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.434 0 CA-C-O 121.337 0.589 . . . . 0.0 111.561 -176.62 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.542 ' C ' ' HA ' ' A' ' 10' ' ' CYS . . . 150.54 174.28 21.48 Favored Glycine 0 N--CA 1.418 -2.513 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 178.397 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.479 ' SG ' HD11 ' A' ' 20' ' ' LEU . 14.2 p -137.37 150.99 48.1 Favored 'General case' 0 C--N 1.283 -2.324 0 CA-C-O 120.895 0.378 . . . . 0.0 110.432 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.604 ' O ' HD12 ' A' ' 20' ' ' LEU . 19.4 p -85.8 144.27 27.83 Favored 'General case' 0 N--CA 1.402 -2.834 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.36 179.665 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.557 ' HB2' ' HB3' ' B' ' 6' ' ' GLU . 39.5 tptt -61.02 -37.84 83.99 Favored 'General case' 0 C--N 1.289 -2.053 0 C-N-CA 123.622 0.769 . . . . 0.0 110.539 -173.487 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 71.7 mtp180 -68.83 -23.54 64.27 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.021 0.439 . . . . 0.0 110.969 177.196 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.0 t -75.04 -43.15 55.21 Favored 'General case' 0 N--CA 1.426 -1.647 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 178.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.604 HD12 ' O ' ' A' ' 16' ' ' THR . 1.6 mp -70.54 -28.29 64.81 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 118.907 -1.117 . . . . 0.0 109.109 176.547 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.523 ' HB2' HG21 ' B' ' 22' ' ' ILE . . . -63.75 -38.81 92.5 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.548 176.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.9 tpm_? . . . . . 0 C--N 1.311 -1.085 0 CA-C-N 114.876 -1.056 . . . . 0.0 110.276 178.561 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 . . . . . 0 N--CA 1.414 -2.272 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . 0.41 ' HA ' ' HA ' ' A' ' 16' ' ' THR . 7.6 p -131.62 138.58 52.61 Favored 'Isoleucine or valine' 0 C--N 1.26 -3.315 0 CA-C-N 114.596 -1.183 . . . . 0.0 107.89 178.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 32.2 pt -137.3 172.43 14.78 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 -178.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -137.13 82.24 1.92 Allowed 'General case' 0 C--N 1.298 -1.66 0 CA-C-O 121.911 0.862 . . . . 0.0 109.163 176.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.575 HD23 ' HB3' ' B' ' 14' ' ' GLU . 9.2 mp -119.24 175.68 5.68 Favored 'General case' 0 C--N 1.305 -1.351 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.931 -178.255 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 35.1 m -147.52 162.51 38.92 Favored 'General case' 0 C--N 1.3 -1.584 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.078 -178.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 47.46 -121.13 6.28 Favored Glycine 0 C--O 1.244 0.781 0 N-CA-C 115.791 1.076 . . . . 0.0 115.791 172.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . 0.519 ' O ' ' HG2' ' B' ' 17' ' ' ARG . 31.5 ttm180 -66.87 -28.94 68.74 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-N 114.014 -1.093 . . . . 0.0 111.576 -176.752 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . 0.575 ' HB3' HD23 ' B' ' 10' ' ' LEU . 7.8 mp0 -71.26 -31.36 67.42 Favored 'General case' 0 CA--C 1.519 -0.242 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 179.588 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 98.2 mt -64.34 -41.1 96.95 Favored 'General case' 0 CA--C 1.502 -0.882 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 174.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . 0.511 ' O ' HG12 ' B' ' 20' ' ' ILE . 45.1 t -64.99 -41.81 93.09 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.775 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.306 178.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . 0.519 ' HG2' ' O ' ' B' ' 13' ' ' ARG . 38.9 mmt180 -53.36 -54.16 40.64 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.449 176.313 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.36 -37.62 84.03 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.695 -179.312 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . 0.657 ' O ' HG22 ' B' ' 22' ' ' ILE . 53.1 mt-30 -66.68 -52.19 47.55 Favored 'General case' 0 C--N 1.313 -1.006 0 C-N-CA 123.964 0.906 . . . . 0.0 111.556 177.569 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . 0.511 HG12 ' O ' ' B' ' 16' ' ' VAL . 46.2 mm -64.27 -37.97 81.29 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.744 0 CA-C-O 121.02 0.438 . . . . 0.0 110.08 179.205 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.76 -33.4 70.75 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.14 179.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.657 HG22 ' O ' ' B' ' 19' ' ' GLN . 7.7 tt . . . . . 0 C--O 1.224 -0.276 0 CA-C-O 121.166 0.508 . . . . 0.0 109.667 -178.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.212 -0.911 0 CA-C-O 119.971 -0.062 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.622 HD21 HD23 ' A' ' 20' ' ' LEU . 68.3 tp -53.24 -43.26 67.19 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.114 0.565 . . . . 0.0 111.235 179.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.03 -43.64 91.71 Favored 'General case' 0 C--O 1.248 1.004 0 CA-C-O 121.299 0.571 . . . . 0.0 110.952 -178.057 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 65.2 m-20 -73.57 -43.44 59.81 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.197 -178.237 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 41.2 tptt -62.18 -42.26 99.11 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.056 -175.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.549 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 7.2 t -68.71 -35.49 77.22 Favored 'General case' 0 C--N 1.312 -1.033 0 O-C-N 123.537 0.523 . . . . 0.0 110.081 -179.446 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.0 t -74.46 -31.12 62.13 Favored 'General case' 0 N--CA 1.433 -1.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.351 -177.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -83.21 -56.77 3.59 Favored 'General case' 0 CA--C 1.513 -0.451 0 N-CA-C 112.038 0.385 . . . . 0.0 112.038 178.501 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 26.1 m -115.66 -49.21 4.71 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 CA-C-O 121.166 0.508 . . . . 0.0 112.204 -175.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.549 ' C ' ' HA ' ' A' ' 10' ' ' CYS . . . 149.47 172.31 18.92 Favored Glycine 0 C--N 1.289 -2.073 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 177.274 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.645 ' SG ' HD21 ' A' ' 20' ' ' LEU . 26.3 p -142.18 163.12 33.73 Favored 'General case' 0 C--N 1.291 -1.966 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 -177.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.41 ' HA ' ' HA ' ' B' ' 7' ' ' VAL . 23.3 p -99.57 152.12 20.39 Favored 'General case' 0 N--CA 1.406 -2.648 0 CA-C-O 121.609 0.719 . . . . 0.0 111.226 179.437 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.411 ' HG3' HD12 ' B' ' 22' ' ' ILE . 1.6 tppp? -64.06 -41.07 97.49 Favored 'General case' 0 C--N 1.295 -1.763 0 CA-C-N 114.973 -1.012 . . . . 0.0 109.208 -177.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -55.63 -35.49 65.96 Favored 'General case' 0 N--CA 1.489 1.507 0 CA-C-O 122.265 1.031 . . . . 0.0 111.891 173.16 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.473 ' O ' ' HG2' ' A' ' 22' ' ' ARG . 12.4 t -73.78 -36.62 65.08 Favored 'General case' 0 C--N 1.276 -2.626 0 CA-C-N 114.258 -1.337 . . . . 0.0 110.296 -177.196 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.645 HD21 ' SG ' ' A' ' 15' ' ' CYS . 6.1 mt -75.99 -28.03 57.66 Favored 'General case' 0 CA--C 1.499 -0.988 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 176.135 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.432 ' HB2' HD13 ' B' ' 22' ' ' ILE . . . -58.14 -41.19 83.17 Favored 'General case' 0 C--N 1.32 -0.681 0 O-C-N 123.871 0.732 . . . . 0.0 111.061 178.492 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.473 ' HG2' ' O ' ' A' ' 19' ' ' SER . 12.5 ptm180 . . . . . 0 CA--C 1.542 0.642 0 CA-C-O 121.231 0.539 . . . . 0.0 112.081 -178.572 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 . . . . . 0 N--CA 1.404 -2.733 0 N-CA-C 106.445 -1.687 . . . . 0.0 106.445 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . 0.441 ' HA ' ' O ' ' A' ' 15' ' ' CYS . 7.2 p -141.15 119.52 9.84 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.654 0 O-C-N 124.455 1.097 . . . . 0.0 108.704 -178.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 17.4 pt -126.19 172.43 13.53 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.169 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.256 -175.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -133.68 91.85 2.9 Favored 'General case' 0 C--N 1.29 -2.019 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.494 HD23 ' HB3' ' B' ' 14' ' ' GLU . 10.8 mp -124.13 175.12 7.21 Favored 'General case' 0 C--N 1.302 -1.479 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.123 -177.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 40.5 m -145.5 157.56 43.98 Favored 'General case' 0 C--N 1.298 -1.642 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.366 -179.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 45.99 -115.98 1.95 Allowed Glycine 0 CA--C 1.502 -0.774 0 N-CA-C 116.418 1.327 . . . . 0.0 116.418 174.063 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 48.0 mtp180 -68.72 -27.57 66.05 Favored 'General case' 0 C--N 1.285 -2.206 0 CA-C-N 113.656 -1.272 . . . . 0.0 111.539 -177.002 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . 0.494 ' HB3' HD23 ' B' ' 10' ' ' LEU . 71.7 mm-40 -70.19 -33.64 71.97 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 176.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 86.3 mt -61.88 -41.03 97.39 Favored 'General case' 0 CA--C 1.504 -0.806 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 175.467 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . 0.426 ' O ' HG12 ' B' ' 20' ' ' ILE . 43.8 t -65.05 -41.12 91.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.316 177.64 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -58.72 -43.0 90.01 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.462 176.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.99 -36.11 79.45 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-O 121.219 0.533 . . . . 0.0 110.613 178.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . 0.63 ' O ' HG22 ' B' ' 22' ' ' ILE . 92.9 mt-30 -64.17 -53.18 53.52 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.192 175.684 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . 0.426 HG12 ' O ' ' B' ' 16' ' ' VAL . 45.3 mm -55.6 -39.27 53.67 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.276 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.908 175.181 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.74 -32.24 73.33 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.658 -0.701 . . . . 0.0 112.196 179.413 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.63 HG22 ' O ' ' B' ' 19' ' ' GLN . 0.2 OUTLIER . . . . . 0 C--N 1.317 -0.806 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 -177.56 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.516 0 N-CA-C 110.654 -0.128 . . . . 0.0 110.654 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 41.5 tp -57.36 -46.21 83.59 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 123.82 0.848 . . . . 0.0 110.672 177.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.77 -51.14 71.03 Favored 'General case' 0 C--O 1.238 0.473 0 O-C-N 123.608 0.567 . . . . 0.0 110.353 -179.423 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -59.76 -45.75 91.3 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.457 178.595 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -61.56 -47.37 85.85 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.435 -177.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.495 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 7.6 t -67.92 -32.77 73.47 Favored 'General case' 0 C--N 1.3 -1.549 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.36 -175.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.4 t -75.73 -37.03 59.75 Favored 'General case' 0 N--CA 1.429 -1.486 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.31 -179.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 10.4 m170 -77.92 -52.62 8.56 Favored 'General case' 0 CA--C 1.507 -0.691 0 CA-C-O 121.052 0.453 . . . . 0.0 111.608 -179.085 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 17.3 m -121.54 -50.07 3.01 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.67 0 N-CA-C 113.148 0.796 . . . . 0.0 113.148 -176.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.495 ' C ' ' HA ' ' A' ' 10' ' ' CYS . . . 150.48 169.22 16.21 Favored Glycine 0 N--CA 1.431 -1.666 0 C-N-CA 120.982 -0.628 . . . . 0.0 112.248 178.163 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.556 ' SG ' HD11 ' A' ' 20' ' ' LEU . 27.0 p -142.81 160.2 40.78 Favored 'General case' 0 C--N 1.299 -1.59 0 CA-C-O 120.871 0.367 . . . . 0.0 110.875 -177.301 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.574 ' O ' HD12 ' A' ' 20' ' ' LEU . 19.9 p -93.35 143.82 25.91 Favored 'General case' 0 N--CA 1.405 -2.678 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.607 178.268 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -60.48 -36.13 77.57 Favored 'General case' 0 C--N 1.307 -1.245 0 C-N-CA 124.007 0.923 . . . . 0.0 110.616 -176.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.404 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 26.6 mmm180 -61.63 -30.92 71.02 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.226 173.559 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.1 t -76.52 -33.49 58.59 Favored 'General case' 0 N--CA 1.426 -1.645 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.081 -176.264 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.574 HD12 ' O ' ' A' ' 16' ' ' THR . 2.0 mp -79.23 -29.43 42.73 Favored 'General case' 0 CA--C 1.498 -1.023 0 C-N-CA 119.048 -1.061 . . . . 0.0 108.983 174.471 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.615 ' HA ' HG21 ' B' ' 22' ' ' ILE . . . -52.91 -46.13 67.9 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 124.495 1.122 . . . . 0.0 112.033 179.394 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 28.8 ptt180 . . . . . 0 C--N 1.317 -0.827 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.74 -176.799 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . 0.408 ' HB2' ' CZ3' ' B' ' 3' ' ' TRP . 4.1 p30 . . . . . 0 CA--C 1.508 -0.656 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 2.8 p -156.3 102.11 2.09 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-O 121.811 0.815 . . . . 0.0 110.668 176.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' TRP . . . . . 0.525 ' CZ3' HG12 ' B' ' 22' ' ' ILE . 1.3 m95 -69.04 -13.3 62.37 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 114.611 -1.177 . . . . 0.0 113.253 -173.465 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . 0.59 ' O ' ' HD3' ' A' ' 18' ' ' ARG . 28.2 ttt -76.1 -31.84 58.9 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 120.316 -0.554 . . . . 0.0 110.482 177.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -134.92 -101.24 0.23 Allowed 'General case' 0 N--CA 1.432 -1.367 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 -178.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.408 ' O ' ' HA ' ' A' ' 16' ' ' THR . 24.8 mt-10 54.27 122.41 0.0 OUTLIER 'General case' 0 C--O 1.224 -0.27 0 N-CA-C 115.414 1.635 . . . . 0.0 115.414 -173.567 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 4.0 p -126.62 117.6 48.58 Favored 'Isoleucine or valine' 0 C--N 1.277 -2.586 0 N-CA-C 106.866 -1.531 . . . . 0.0 106.866 172.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.48 ' HB ' HD13 ' B' ' 10' ' ' LEU . 23.2 pt -116.57 164.25 13.05 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.022 0 CA-C-O 121.178 0.513 . . . . 0.0 110.63 -174.584 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -129.52 76.36 1.72 Allowed 'General case' 0 C--N 1.29 -2.021 0 CA-C-N 114.796 -1.093 . . . . 0.0 108.676 178.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.48 HD13 ' HB ' ' B' ' 8' ' ' ILE . 10.3 mp -118.83 174.84 6.05 Favored 'General case' 0 CA--C 1.482 -1.643 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.147 -178.524 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 58.4 m -151.78 166.12 32.34 Favored 'General case' 0 C--N 1.287 -2.141 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 -177.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 45.34 -119.74 3.65 Favored Glycine 0 CA--C 1.501 -0.844 0 N-CA-C 116.531 1.372 . . . . 0.0 116.531 171.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 9.8 ptp85 -73.36 -28.09 61.85 Favored 'General case' 0 C--N 1.294 -1.828 0 CA-C-N 114.493 -0.853 . . . . 0.0 111.524 -175.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -73.33 -32.03 64.33 Favored 'General case' 0 CA--C 1.496 -1.126 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.596 ' O ' ' HG3' ' B' ' 19' ' ' GLN . 10.7 tp -66.57 -41.67 88.21 Favored 'General case' 0 N--CA 1.434 -1.259 0 CA-C-N 114.403 -1.272 . . . . 0.0 108.695 179.469 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . 0.445 ' O ' HG12 ' B' ' 20' ' ' ILE . 57.5 t -69.46 -38.83 77.79 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.439 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.407 178.354 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 52.1 mtp180 -57.46 -45.25 84.98 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-O 120.868 0.366 . . . . 0.0 111.019 175.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.98 -37.96 89.38 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.248 178.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . 0.596 ' HG2' ' HB3' ' A' ' 20' ' ' LEU . 47.0 mt-30 -62.71 -55.87 22.82 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.749 177.098 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . 0.445 HG12 ' O ' ' B' ' 16' ' ' VAL . 46.6 mm -53.7 -44.41 58.51 Favored 'Isoleucine or valine' 0 C--O 1.242 0.674 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.161 178.085 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.98 -49.56 67.4 Favored 'General case' 0 N--CA 1.438 -1.025 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.165 179.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.525 HG12 ' CZ3' ' B' ' 3' ' ' TRP . 0.3 OUTLIER -63.59 -43.68 98.3 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.007 0 CA-C-O 121.032 0.444 . . . . 0.0 110.955 -176.167 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 6.7 t -80.33 -20.78 43.45 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-O 120.95 0.405 . . . . 0.0 110.641 -173.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.81 -35.8 11.06 Favored Glycine 0 N--CA 1.44 -1.1 0 C-N-CA 120.633 -0.794 . . . . 0.0 111.396 177.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 86.7 mtp -92.18 33.01 1.1 Allowed 'General case' 0 C--N 1.318 -0.768 0 C-N-CA 122.797 0.439 . . . . 0.0 111.604 -177.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 22.5 m -81.91 20.26 1.0 Allowed 'General case' 0 C--N 1.305 -1.335 0 CA-C-O 121.312 0.577 . . . . 0.0 111.384 -178.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 8.4 m -74.57 -18.63 60.55 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 122.437 1.113 . . . . 0.0 110.125 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' TRP . . . . . . . . . . . . . 75.9 t-105 -99.99 133.27 44.6 Favored 'General case' 0 C--N 1.273 -2.725 0 CA-C-N 114.21 -1.359 . . . . 0.0 108.986 179.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 40.9 m -94.02 91.74 7.0 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 176.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.06 0 CA-C-N 116.226 -0.443 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.704 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 85.1 mt -69.24 -33.45 73.3 Favored 'General case' 0 CA--C 1.473 -2.005 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.18 -179.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -73.43 -39.25 65.16 Favored 'General case' 0 N--CA 1.398 -3.034 0 C-N-CA 118.202 -1.399 . . . . 0.0 110.489 177.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 26.7 t -63.72 -36.08 82.68 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 177.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.98 -47.38 86.71 Favored 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 176.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 41.0 tp -63.0 -47.89 81.15 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.478 178.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.14 -49.42 66.6 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 123.643 0.777 . . . . 0.0 111.702 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -65.75 -45.25 83.29 Favored 'General case' 0 CA--C 1.506 -0.742 0 O-C-N 123.239 0.337 . . . . 0.0 110.777 177.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -59.65 -50.38 74.1 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.736 -176.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.406 ' HA ' ' HA2' ' A' ' 14' ' ' GLY . 33.5 m -67.66 -31.55 71.62 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-O 120.833 0.349 . . . . 0.0 110.6 -178.357 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.1 t -79.24 -24.85 42.75 Favored 'General case' 0 N--CA 1.429 -1.503 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.195 -176.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -92.31 -63.67 1.21 Allowed 'General case' 0 N--CA 1.446 -0.645 0 CA-C-O 121.181 0.515 . . . . 0.0 111.124 179.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 17.0 m -108.25 -45.13 7.04 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.514 0 CA-C-O 121.533 0.682 . . . . 0.0 111.388 -174.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.406 ' HA2' ' HA ' ' A' ' 10' ' ' CYS . . . 132.52 176.07 14.25 Favored Glycine 0 N--CA 1.412 -2.921 0 N-CA-C 110.375 -1.09 . . . . 0.0 110.375 178.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.8 p -151.55 163.39 39.15 Favored 'General case' 0 C--N 1.281 -2.397 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 -179.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.508 ' O ' HD12 ' A' ' 20' ' ' LEU . 18.9 p -82.0 145.39 30.27 Favored 'General case' 0 N--CA 1.391 -3.379 0 CA-C-O 121.118 0.485 . . . . 0.0 110.104 179.111 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.7 tptm -64.79 -26.4 68.33 Favored 'General case' 0 C--N 1.273 -2.721 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 179.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.59 ' HD3' ' O ' ' B' ' 4' ' ' MET . 18.9 mtm180 -67.92 -28.43 67.48 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.435 -1.257 . . . . 0.0 110.125 174.086 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.445 ' O ' ' HG2' ' A' ' 22' ' ' ARG . 23.5 p -73.31 -45.69 53.95 Favored 'General case' 0 N--CA 1.438 -1.052 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 -178.151 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.596 ' HB3' ' HG2' ' B' ' 19' ' ' GLN . 1.7 mp -68.54 -27.62 66.26 Favored 'General case' 0 CA--C 1.501 -0.905 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 177.471 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.79 -38.96 87.1 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.904 176.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.445 ' HG2' ' O ' ' A' ' 19' ' ' SER . 3.3 ptm180 -81.71 -12.81 58.48 Favored 'General case' 0 C--N 1.317 -0.844 0 C-N-CA 119.661 -0.816 . . . . 0.0 111.268 -179.399 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -92.86 -55.94 3.18 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 120.94 -0.304 . . . . 0.0 111.754 177.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 87.4 m 67.74 -78.77 0.04 OUTLIER 'General case' 0 C--N 1.312 -1.046 0 C-N-CA 124.073 0.949 . . . . 0.0 112.565 -177.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.314 -0.943 0 O-C-N 121.964 -0.46 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 21.9 t70 . . . . . 0 CA--C 1.508 -0.644 0 N-CA-C 112.516 0.561 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 14.4 m -76.94 142.88 39.86 Favored 'General case' 0 C--N 1.3 -1.547 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.695 -176.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' TRP . . . . . . . . . . . . . 21.3 m95 -93.87 -53.94 3.81 Favored 'General case' 0 C--N 1.289 -2.037 0 N-CA-C 114.434 1.272 . . . . 0.0 114.434 -176.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . 0.433 ' CE ' ' HB3' ' B' ' 28' ' ' TRP . 1.9 mpt? -63.49 -46.97 83.69 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-O 120.894 0.378 . . . . 0.0 111.689 -172.287 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -130.1 86.8 2.44 Favored 'General case' 0 N--CA 1.42 -1.947 0 CA-C-O 121.983 0.897 . . . . 0.0 111.691 -177.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.59 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 24.3 tt0 -141.92 149.27 39.95 Favored 'General case' 0 C--N 1.285 -2.234 0 N-CA-C 103.937 -2.616 . . . . 0.0 103.937 172.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 10.5 p -137.84 137.8 44.65 Favored 'Isoleucine or valine' 0 C--N 1.276 -2.613 0 O-C-N 123.613 0.571 . . . . 0.0 111.378 -172.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 18.9 pt -136.64 172.34 15.34 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.356 0 CA-C-N 115.368 -0.833 . . . . 0.0 108.998 178.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . 0.461 ' HE3' ' O ' ' A' ' 13' ' ' VAL . 63.0 mttp -137.16 86.96 2.24 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 179.177 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.446 HD13 ' HA ' ' B' ' 10' ' ' LEU . 1.2 mm? -124.21 176.58 6.33 Favored 'General case' 0 CA--C 1.47 -2.121 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 -179.5 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 13.4 m -154.55 166.09 34.43 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 107.237 -1.394 . . . . 0.0 107.237 -175.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 51.33 -136.35 31.14 Favored Glycine 0 C--O 1.238 0.353 0 O-C-N 123.78 0.675 . . . . 0.0 114.419 173.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.07 -10.01 59.71 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -178.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -75.68 -29.1 58.92 Favored 'General case' 0 C--O 1.241 0.639 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 176.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.55 ' O ' ' HG3' ' B' ' 19' ' ' GLN . 14.1 tp -73.4 -42.09 62.52 Favored 'General case' 0 N--CA 1.428 -1.559 0 CA-C-N 113.592 -1.64 . . . . 0.0 107.749 177.61 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 94.6 t -65.03 -40.99 90.86 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.59 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 49.7 ttp180 -52.43 -52.29 54.76 Favored 'General case' 0 C--O 1.251 1.176 0 C-N-CA 124.356 1.062 . . . . 0.0 108.761 177.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . 0.573 ' O ' HG13 ' B' ' 22' ' ' ILE . . . -60.19 -51.22 70.49 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 113.456 -1.702 . . . . 0.0 110.746 176.461 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . 0.604 ' HG2' ' HB3' ' A' ' 20' ' ' LEU . 93.4 mt-30 -48.81 -56.32 9.04 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.139 0.975 . . . . 0.0 112.415 179.511 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 47.7 mm -53.7 -41.72 48.37 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.827 179.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . 0.431 ' O ' ' HG2' ' B' ' 25' ' ' MET . . . -65.0 -41.56 95.28 Favored 'General case' 0 C--O 1.219 -0.512 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.654 178.648 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.573 HG13 ' O ' ' B' ' 18' ' ' ALA . 45.3 mt -72.41 -49.1 44.46 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.043 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.405 -177.247 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' CYS . . . . . 0.479 ' SG ' ' HA ' ' A' ' 21' ' ' ALA . 17.8 m -74.46 -23.38 58.88 Favored 'General case' 0 CA--C 1.502 -0.89 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -174.299 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.44 -25.47 73.75 Favored Glycine 0 C--N 1.301 -1.408 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.701 175.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' MET . . . . . 0.431 ' HG2' ' O ' ' B' ' 21' ' ' ALA . 21.2 ptt? -141.13 47.66 1.7 Allowed 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -177.06 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 39.3 m -82.02 69.09 8.65 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.724 0.773 . . . . 0.0 109.243 177.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 12.7 m -72.55 -20.52 61.31 Favored 'General case' 0 C--N 1.307 -1.282 0 CA-C-N 115.189 -0.914 . . . . 0.0 112.274 -177.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' TRP . . . . . 0.433 ' HB3' ' CE ' ' B' ' 4' ' ' MET . 97.6 m95 -117.08 138.62 51.5 Favored 'General case' 0 C--N 1.271 -2.82 0 CA-C-N 114.923 -1.035 . . . . 0.0 112.258 -176.414 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 6.5 p -79.44 -84.65 0.09 Allowed 'General case' 0 N--CA 1.439 -1.021 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.917 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.045 0 O-C-N 122.082 -0.386 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.44 0 CA-C-O 120.68 0.276 . . . . 0.0 110.704 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 91.1 mt -78.48 -22.63 47.2 Favored 'General case' 0 CA--C 1.505 -0.754 0 CA-C-O 121.239 0.543 . . . . 0.0 111.06 -178.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.15 -37.56 77.6 Favored 'General case' 0 C--N 1.303 -1.453 0 CA-C-N 115.221 -0.899 . . . . 0.0 109.523 171.175 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 32.2 t -81.85 -27.15 33.7 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.575 178.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.92 -45.13 95.05 Favored 'General case' 0 CA--C 1.512 -0.495 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 176.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.513 HD21 ' HA ' ' A' ' 20' ' ' LEU . 37.2 tp -54.39 -46.71 73.16 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.243 175.636 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.76 -50.75 71.35 Favored 'General case' 0 CA--C 1.508 -0.666 0 O-C-N 123.689 0.618 . . . . 0.0 110.641 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -61.67 -49.25 77.26 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.811 179.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt -59.23 -43.62 92.35 Favored 'General case' 0 C--N 1.317 -0.814 0 C-N-CA 122.801 0.44 . . . . 0.0 111.768 -179.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.473 ' HA ' ' CA ' ' A' ' 14' ' ' GLY . 10.9 t -74.79 -27.98 60.54 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-O 121.132 0.491 . . . . 0.0 110.383 -177.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.9 t -76.89 -24.99 52.53 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-O 121.499 0.666 . . . . 0.0 109.393 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 30.8 m-70 -94.64 -69.66 0.74 Allowed 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.708 177.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.461 ' O ' ' HE3' ' B' ' 9' ' ' LYS . 19.7 m -95.15 -47.91 13.01 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.159 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.794 -176.19 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.473 ' CA ' ' HA ' ' A' ' 10' ' ' CYS . . . 136.45 174.41 13.33 Favored Glycine 0 C--N 1.285 -2.261 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 177.622 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.503 ' SG ' HD11 ' A' ' 20' ' ' LEU . 20.2 p -139.77 153.77 47.23 Favored 'General case' 0 C--N 1.287 -2.113 0 CA-C-O 120.886 0.374 . . . . 0.0 111.292 -177.149 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.575 ' O ' HD12 ' A' ' 20' ' ' LEU . 61.3 p -89.82 146.55 24.37 Favored 'General case' 0 N--CA 1.415 -2.217 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 176.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.59 ' HB2' ' HB3' ' B' ' 6' ' ' GLU . 2.6 tptm -52.7 -44.85 66.58 Favored 'General case' 0 C--N 1.283 -2.295 0 C-N-CA 124.543 1.137 . . . . 0.0 112.533 -175.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.45 ' HD2' ' HA ' ' A' ' 18' ' ' ARG . 7.5 mmm180 -71.06 -20.39 62.37 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 119.925 -0.71 . . . . 0.0 112.871 175.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.3 t -71.43 -41.21 69.77 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 178.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.604 ' HB3' ' HG2' ' B' ' 19' ' ' GLN . 3.9 mp -67.41 -38.12 84.14 Favored 'General case' 0 CA--C 1.489 -1.373 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 174.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.479 ' HA ' ' SG ' ' B' ' 23' ' ' CYS . . . -60.12 -25.72 65.68 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 114.59 -1.187 . . . . 0.0 113.728 -179.045 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.0 ptp180 -84.2 -9.78 58.26 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 119.312 -0.955 . . . . 0.0 110.977 178.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -111.59 -82.64 0.58 Allowed 'General case' 0 C--N 1.311 -1.084 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.917 178.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 99.5 m 57.18 87.7 0.06 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.082 -0.963 . . . . 0.0 112.051 -174.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.826 0 CA-C-N 116.159 -0.473 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 . . . . . 0 N--CA 1.476 0.836 0 CA-C-O 120.877 0.37 . . . . 0.0 111.267 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 15.2 m -82.52 149.07 27.74 Favored 'General case' 0 N--CA 1.423 -1.815 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 -178.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' TRP . . . . . 0.568 ' O ' ' HG3' ' A' ' 18' ' ' ARG . 39.7 m95 -91.22 -39.94 11.81 Favored 'General case' 0 C--N 1.291 -1.958 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.587 -179.379 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . 0.624 ' SD ' ' HD3' ' A' ' 18' ' ' ARG . 96.0 mmm -69.11 -46.15 68.41 Favored 'General case' 0 CA--C 1.502 -0.891 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.454 179.375 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -114.17 85.48 2.23 Favored 'General case' 0 N--CA 1.427 -1.611 0 CA-C-N 114.659 -1.155 . . . . 0.0 111.608 -174.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.672 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 22.7 tt0 -164.97 146.63 7.84 Favored 'General case' 0 C--N 1.306 -1.287 0 N-CA-C 106.901 -1.518 . . . . 0.0 106.901 171.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . 0.404 ' HA ' ' HA ' ' A' ' 16' ' ' THR . 6.0 p -148.6 123.26 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.282 -2.355 0 O-C-N 124.302 1.001 . . . . 0.0 108.862 -179.682 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 18.7 pt -125.26 169.82 16.15 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.97 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.985 -176.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -127.78 88.01 2.71 Favored 'General case' 0 C--N 1.29 -2.014 0 CA-C-N 115.252 -0.886 . . . . 0.0 108.879 177.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 10.6 mp -119.76 170.34 9.3 Favored 'General case' 0 C--N 1.291 -1.956 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.657 178.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 48.9 t -161.92 164.11 28.71 Favored 'General case' 0 C--N 1.281 -2.386 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 -175.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 54.15 -130.53 44.33 Favored Glycine 0 C--N 1.295 -1.725 0 O-C-N 124.573 1.17 . . . . 0.0 113.638 178.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.427 ' O ' ' HG3' ' B' ' 17' ' ' ARG . 71.3 ttt180 -66.48 -35.29 79.92 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-N 114.838 -0.681 . . . . 0.0 111.9 -178.77 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -64.88 -35.83 82.39 Favored 'General case' 0 CA--C 1.5 -0.95 0 C-N-CA 120.363 -0.535 . . . . 0.0 109.674 -177.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.437 ' CD2' ' HA ' ' A' ' 7' ' ' ALA . 35.8 tp -65.13 -41.64 94.63 Favored 'General case' 0 N--CA 1.438 -1.044 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.429 -178.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 74.7 t -68.94 -37.94 77.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.017 177.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . 0.427 ' HG3' ' O ' ' B' ' 13' ' ' ARG . 81.8 mtp180 -60.83 -41.22 95.36 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.31 178.126 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . 0.585 ' O ' HG13 ' B' ' 22' ' ' ILE . . . -67.61 -46.52 72.3 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.879 177.33 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . 0.642 ' HG2' ' HB3' ' A' ' 20' ' ' LEU . 94.2 mt-30 -50.92 -57.8 7.62 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.048 0.939 . . . . 0.0 111.352 177.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 1.7 mp -59.51 -36.49 64.98 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.185 0 CA-C-N 115.277 -0.874 . . . . 0.0 112.122 178.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.76 -44.05 91.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.745 0.307 . . . . 0.0 110.427 178.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.585 HG13 ' O ' ' B' ' 18' ' ' ALA . 64.0 mt -62.14 -39.02 82.38 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.808 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.712 178.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' CYS . . . . . 0.426 ' HA ' ' HB2' ' B' ' 26' ' ' SER . 77.3 m -74.79 -23.79 58.56 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-O 121.185 0.517 . . . . 0.0 112.043 -177.144 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.13 -20.21 77.7 Favored Glycine 0 C--N 1.29 -1.991 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.294 173.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 65.2 mtm -123.89 35.37 4.85 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 123.35 0.66 . . . . 0.0 109.29 -178.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . 0.426 ' HB2' ' HA ' ' B' ' 23' ' ' CYS . 23.0 t -85.25 68.75 10.61 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 121.81 0.814 . . . . 0.0 111.384 -174.333 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 11.5 m -84.69 -18.17 36.17 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-O 122.6 1.19 . . . . 0.0 109.08 176.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' TRP . . . . . . . . . . . . . 71.9 m95 -130.11 165.61 21.92 Favored 'General case' 0 C--N 1.28 -2.439 0 CA-C-N 113.539 -1.664 . . . . 0.0 106.933 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 32.7 t -90.21 96.8 10.84 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 108.577 -0.898 . . . . 0.0 108.577 179.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.034 0 CA-C-N 116.422 -0.354 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.031 0 CA-C-O 120.743 0.306 . . . . 0.0 110.442 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.7 mp -75.57 -22.19 57.21 Favored 'General case' 0 CA--C 1.475 -1.926 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -177.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -66.89 -44.97 79.43 Favored 'General case' 0 N--CA 1.402 -2.85 0 C-N-CA 119.24 -0.984 . . . . 0.0 109.738 174.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 18.0 m -65.21 -29.94 70.79 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.093 177.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.0 -52.13 65.24 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.616 176.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.524 HD21 ' HA ' ' A' ' 20' ' ' LEU . 54.9 tp -58.67 -43.76 89.97 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 116.719 -0.219 . . . . 0.0 110.513 176.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.437 ' HA ' ' CD2' ' B' ' 15' ' ' LEU . . . -54.68 -53.89 48.89 Favored 'General case' 0 N--CA 1.447 -0.582 0 O-C-N 123.88 0.738 . . . . 0.0 111.076 -179.619 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -67.09 -46.43 74.26 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.069 -179.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt -60.99 -42.89 99.29 Favored 'General case' 0 C--O 1.212 -0.913 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -178.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.431 ' HA ' ' CA ' ' A' ' 14' ' ' GLY . 13.5 t -77.02 -24.97 52.11 Favored 'General case' 0 C--N 1.299 -1.612 0 CA-C-O 121.234 0.54 . . . . 0.0 109.82 -178.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.6 t -70.98 -36.11 72.37 Favored 'General case' 0 N--CA 1.438 -1.038 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 178.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 61.6 m-70 -92.84 -68.36 0.8 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.17 -0.468 . . . . 0.0 112.218 179.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 19.8 m -88.88 -47.8 15.04 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.987 0 N-CA-C 112.653 0.612 . . . . 0.0 112.653 -176.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.431 ' CA ' ' HA ' ' A' ' 10' ' ' CYS . . . 133.86 174.71 13.62 Favored Glycine 0 C--N 1.286 -2.217 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 178.219 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.4 p -144.78 152.27 40.08 Favored 'General case' 0 C--N 1.292 -1.935 0 CA-C-O 121.093 0.473 . . . . 0.0 111.296 -177.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.532 ' O ' HD12 ' A' ' 20' ' ' LEU . 20.8 p -82.6 153.19 25.58 Favored 'General case' 0 N--CA 1.409 -2.511 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 176.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.672 ' HB2' ' HB3' ' B' ' 6' ' ' GLU . 10.3 tptm -62.48 -32.72 73.66 Favored 'General case' 0 C--N 1.28 -2.433 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.775 -176.139 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.624 ' HD3' ' SD ' ' B' ' 4' ' ' MET . 65.1 mtm180 -65.29 -26.83 68.24 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-O 120.868 0.366 . . . . 0.0 111.516 172.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.445 ' O ' ' HD1' ' A' ' 23' ' ' PHE . 32.0 t -73.83 -43.21 59.45 Favored 'General case' 0 N--CA 1.43 -1.45 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 -176.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.642 ' HB3' ' HG2' ' B' ' 19' ' ' GLN . 1.6 mp -71.08 -35.66 71.95 Favored 'General case' 0 CA--C 1.505 -0.771 0 C-N-CA 119.073 -1.051 . . . . 0.0 108.881 177.298 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.549 ' HB2' HG21 ' B' ' 22' ' ' ILE . . . -61.78 -33.52 74.24 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 114.894 -1.048 . . . . 0.0 112.487 -177.64 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -85.25 -8.72 58.4 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 112.192 0.441 . . . . 0.0 112.192 -176.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.445 ' HD1' ' O ' ' A' ' 19' ' ' SER . 72.0 m-85 -106.4 -57.25 2.08 Favored 'General case' 0 CA--C 1.497 -1.075 0 CA-C-O 120.791 0.329 . . . . 0.0 110.294 176.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.6 t 63.45 -85.24 0.02 OUTLIER 'General case' 0 C--N 1.309 -1.182 0 C-N-CA 125.276 1.43 . . . . 0.0 112.038 178.174 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.877 0 O-C-N 121.509 -0.744 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . 0.523 ' O ' ' HG2' ' B' ' 4' ' ' MET . 13.1 p-10 . . . . . 0 C--O 1.193 -1.871 0 N-CA-C 111.607 0.225 . . . . 0.0 111.607 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 8.3 m -60.82 -21.68 63.42 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-O 122.377 1.084 . . . . 0.0 113.033 -177.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' TRP . . . . . . . . . . . . . 27.8 p-90 -93.12 -8.85 41.46 Favored 'General case' 0 C--N 1.27 -2.878 0 CA-C-N 113.559 -1.655 . . . . 0.0 112.526 -178.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . 0.523 ' HG2' ' O ' ' B' ' 1' ' ' ASP . 25.3 ptt? -74.82 -33.63 62.21 Favored 'General case' 0 CA--C 1.509 -0.624 0 N-CA-C 112.773 0.656 . . . . 0.0 112.773 -169.346 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -87.81 102.02 14.27 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 105.481 -2.044 . . . . 0.0 105.481 177.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.617 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 27.9 tt0 -172.13 156.51 3.99 Favored 'General case' 0 N--CA 1.429 -1.505 0 N-CA-C 107.516 -1.29 . . . . 0.0 107.516 -178.187 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 8.5 p -141.41 128.48 20.91 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.316 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 178.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 23.9 pt -127.95 171.85 15.56 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.012 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 -177.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . 0.4 ' HE3' ' O ' ' A' ' 12' ' ' HIS . 88.4 tttt -134.75 82.28 1.95 Allowed 'General case' 0 C--N 1.291 -1.97 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 177.669 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.468 HD23 ' HB3' ' B' ' 14' ' ' GLU . 9.8 mp -118.96 175.59 5.69 Favored 'General case' 0 C--N 1.299 -1.609 0 CA-C-N 115.131 -0.941 . . . . 0.0 109.612 -179.004 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 35.0 m -144.48 160.8 40.49 Favored 'General case' 0 C--N 1.287 -2.128 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.181 -178.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 42.82 -116.42 1.22 Allowed Glycine 0 C--N 1.335 0.487 0 N-CA-C 116.678 1.431 . . . . 0.0 116.678 173.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -68.81 -25.11 64.51 Favored 'General case' 0 C--N 1.291 -1.936 0 CA-C-N 113.39 -1.405 . . . . 0.0 112.025 -174.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . 0.468 ' HB3' HD23 ' B' ' 10' ' ' LEU . 42.2 mt-10 -77.83 -29.69 50.73 Favored 'General case' 0 N--CA 1.44 -0.968 0 C-N-CA 120.575 -0.45 . . . . 0.0 109.945 179.701 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.51 ' CD1' ' HA ' ' A' ' 7' ' ' ALA . 95.8 mt -64.0 -41.4 97.5 Favored 'General case' 0 CA--C 1.501 -0.913 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.013 173.748 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 55.1 t -65.34 -41.69 91.9 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.719 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.269 178.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 19.8 mmm180 -59.54 -41.25 89.65 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 111.96 0.355 . . . . 0.0 111.96 176.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . 0.454 ' O ' HG13 ' B' ' 22' ' ' ILE . . . -66.93 -44.97 79.28 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.709 178.589 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . 0.453 ' HB3' ' HA ' ' A' ' 24' ' ' CYS . 87.1 mt-30 -54.43 -54.27 43.02 Favored 'General case' 0 C--O 1.24 0.592 0 C-N-CA 124.048 0.939 . . . . 0.0 110.999 176.066 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 80.9 mt -56.57 -43.03 77.55 Favored 'Isoleucine or valine' 0 C--O 1.251 1.165 0 CA-C-N 114.918 -1.037 . . . . 0.0 110.753 177.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . 0.411 ' O ' ' HG2' ' B' ' 25' ' ' MET . . . -62.47 -44.1 97.22 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.703 179.074 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.454 HG13 ' O ' ' B' ' 18' ' ' ALA . 74.3 mt -56.01 -46.12 80.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 124.392 1.077 . . . . 0.0 111.669 178.551 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 34.5 m -74.4 -22.53 59.13 Favored 'General case' 0 C--N 1.304 -1.382 0 CA-C-O 121.523 0.678 . . . . 0.0 111.631 -178.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -89.65 7.85 81.02 Favored Glycine 0 C--N 1.293 -1.851 0 CA-C-N 115.331 -0.849 . . . . 0.0 112.069 173.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' MET . . . . . 0.411 ' HG2' ' O ' ' B' ' 21' ' ' ALA . 13.9 mmt -103.14 35.19 2.62 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.398 0.679 . . . . 0.0 111.834 -179.432 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 23.3 t -80.93 17.4 1.21 Allowed 'General case' 0 C--N 1.308 -1.211 0 CA-C-O 121.305 0.574 . . . . 0.0 110.537 -177.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 4.5 m -85.68 -19.14 31.36 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 122.476 1.132 . . . . 0.0 109.837 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' TRP . . . . . . . . . . . . . 75.7 m95 -95.81 118.54 32.65 Favored 'General case' 0 C--N 1.274 -2.683 0 CA-C-N 114.072 -1.422 . . . . 0.0 108.108 -177.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 30.8 m -145.05 76.68 1.5 Allowed 'General case' 0 C--N 1.287 -2.124 0 CA-C-O 121.247 0.546 . . . . 0.0 109.96 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.302 0 CA-C-N 116.025 -0.534 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.773 0 CA-C-O 122.628 1.204 . . . . 0.0 109.494 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 82.1 mt -72.88 -33.27 65.94 Favored 'General case' 0 C--N 1.291 -1.946 0 CA-C-N 113.606 -1.634 . . . . 0.0 111.541 -175.154 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 59.6 m-85 -68.11 -46.29 71.31 Favored 'General case' 0 CA--C 1.506 -0.74 0 CA-C-O 121.271 0.558 . . . . 0.0 109.641 176.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 9.0 m -57.29 -40.31 77.53 Favored 'General case' 0 C--N 1.304 -1.381 0 CA-C-N 114.551 -1.204 . . . . 0.0 110.685 176.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.28 -54.36 47.87 Favored 'General case' 0 N--CA 1.449 -0.481 0 O-C-N 123.727 0.642 . . . . 0.0 110.155 177.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 64.8 tp -58.07 -44.11 87.34 Favored 'General case' 0 C--O 1.235 0.323 0 O-C-N 123.293 0.371 . . . . 0.0 110.646 178.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.51 ' HA ' ' CD1' ' B' ' 15' ' ' LEU . . . -56.07 -52.09 65.52 Favored 'General case' 0 N--CA 1.451 -0.403 0 O-C-N 123.928 0.768 . . . . 0.0 111.301 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -68.64 -45.94 70.51 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.102 -178.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 60.6 mtpt -60.41 -45.5 93.37 Favored 'General case' 0 C--N 1.312 -1.046 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 -178.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.485 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 11.5 t -73.48 -28.45 61.94 Favored 'General case' 0 C--N 1.304 -1.395 0 C-N-CA 120.766 -0.373 . . . . 0.0 110.309 -178.605 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 8.7 t -75.66 -32.73 60.29 Favored 'General case' 0 N--CA 1.432 -1.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.194 -178.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.4 ' O ' ' HE3' ' B' ' 9' ' ' LYS . 37.1 m-70 -88.07 -61.0 1.81 Allowed 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.613 -0.435 . . . . 0.0 111.703 179.388 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 19.7 m -101.18 -47.84 11.44 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.128 0 CA-C-O 121.404 0.621 . . . . 0.0 112.344 -176.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.485 ' C ' ' HA ' ' A' ' 10' ' ' CYS . . . 139.04 173.7 13.14 Favored Glycine 0 C--N 1.282 -2.441 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 178.302 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.522 ' SG ' HD11 ' A' ' 20' ' ' LEU . 22.8 p -139.49 152.54 47.05 Favored 'General case' 0 C--N 1.285 -2.226 0 CA-C-O 121.404 0.621 . . . . 0.0 111.446 -177.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.505 ' O ' HD12 ' A' ' 20' ' ' LEU . 3.3 p -86.66 145.16 26.82 Favored 'General case' 0 N--CA 1.397 -3.119 0 CA-C-N 114.843 -1.071 . . . . 0.0 108.894 177.703 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.617 ' HB2' ' HB3' ' B' ' 6' ' ' GLU . 12.8 tptm -63.37 -30.58 71.69 Favored 'General case' 0 C--N 1.293 -1.883 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.441 -175.442 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.3 mmm180 -65.57 -25.0 67.22 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-O 121.095 0.474 . . . . 0.0 110.673 174.097 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.491 ' HB3' ' O ' ' A' ' 16' ' ' THR . 47.8 t -76.81 -45.12 29.87 Favored 'General case' 0 N--CA 1.434 -1.261 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.708 -178.641 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.542 ' H ' HD12 ' A' ' 20' ' ' LEU . 1.7 mp -70.26 -29.52 66.34 Favored 'General case' 0 CA--C 1.494 -1.176 0 C-N-CA 119.037 -1.065 . . . . 0.0 108.993 178.138 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.03 -37.8 88.8 Favored 'General case' 0 C--N 1.309 -1.167 0 O-C-N 124.109 0.881 . . . . 0.0 110.479 177.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.6 tpm_? -63.53 -28.63 70.08 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.572 0.701 . . . . 0.0 111.023 179.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -97.22 -58.56 1.99 Allowed 'General case' 0 C--N 1.297 -1.679 0 CA-C-N 116.14 -0.482 . . . . 0.0 112.035 179.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.453 ' HA ' ' HB3' ' B' ' 19' ' ' GLN . 47.1 t 50.34 -104.58 0.16 Allowed 'General case' 0 C--N 1.305 -1.357 0 C-N-CA 125.224 1.409 . . . . 0.0 112.079 -178.466 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.71 0 O-C-N 121.244 -0.91 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 . . . . . 0 N--CA 1.474 0.75 0 N-CA-C 111.239 0.089 . . . . 0.0 111.239 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . 0.537 ' O ' ' HB2' ' B' ' 6' ' ' GLU . 7.5 p -50.79 117.06 2.25 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.559 0.744 . . . . 0.0 111.088 177.601 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' TRP . . . . . 0.5 ' O ' ' HG2' ' A' ' 18' ' ' ARG . 85.2 m95 -81.27 -41.29 22.41 Favored 'General case' 0 C--N 1.297 -1.709 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -172.25 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 20.2 mmt -75.06 -31.71 61.32 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-O 121.277 0.561 . . . . 0.0 110.278 -173.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -135.11 98.64 4.04 Favored 'General case' 0 N--CA 1.417 -2.09 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.456 176.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.571 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 22.3 tt0 -157.84 148.49 20.86 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 105.077 -2.194 . . . . 0.0 105.077 171.227 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.68 134.8 13.75 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.474 0 O-C-N 123.671 0.607 . . . . 0.0 109.545 -176.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -135.93 166.24 27.62 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.638 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -124.05 84.92 2.34 Favored 'General case' 0 C--N 1.311 -1.103 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 177.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 10.9 mp -117.03 175.79 5.43 Favored 'General case' 0 C--N 1.294 -1.835 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.942 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 38.2 t -158.45 166.43 32.22 Favored 'General case' 0 C--N 1.282 -2.348 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 -178.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 45.2 -125.2 6.76 Favored Glycine 0 C--O 1.266 2.15 0 O-C-N 124.671 1.232 . . . . 0.0 115.759 177.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' B' ' 13' ' ' ARG . 18.7 ptt180 -65.22 -23.55 67.1 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 114.174 -1.013 . . . . 0.0 111.188 -178.233 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . 0.409 ' O ' ' HB2' ' B' ' 17' ' ' ARG . 45.8 mt-10 -72.21 -34.87 68.7 Favored 'General case' 0 N--CA 1.439 -1.001 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 -178.27 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.407 ' CD1' ' HA ' ' A' ' 7' ' ' ALA . 95.5 mt -62.91 -41.98 99.64 Favored 'General case' 0 CA--C 1.489 -1.377 0 N-CA-C 108.658 -0.868 . . . . 0.0 108.658 174.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 25.3 t -64.66 -39.65 86.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.704 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . 0.47 ' HA ' ' NE ' ' B' ' 17' ' ' ARG . 2.7 mmp_? -53.67 -50.35 65.99 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.601 175.153 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . 0.618 ' O ' HG13 ' B' ' 22' ' ' ILE . . . -65.93 -50.08 65.69 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 114.927 -1.033 . . . . 0.0 110.944 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . 0.492 ' HG2' ' HB3' ' A' ' 20' ' ' LEU . 94.6 mt-30 -51.67 -55.79 17.4 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 124.208 1.003 . . . . 0.0 111.705 -179.766 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 79.9 mt -59.36 -37.94 72.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.586 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.34 -35.81 82.07 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.185 0.516 . . . . 0.0 110.148 177.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.618 HG13 ' O ' ' B' ' 18' ' ' ALA . 64.3 mt -70.7 -47.27 64.92 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.728 177.165 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' CYS . . . . . 0.524 ' HA ' ' OG ' ' B' ' 26' ' ' SER . 61.9 m -74.81 -23.82 58.53 Favored 'General case' 0 C--N 1.307 -1.262 0 N-CA-C 113.928 1.084 . . . . 0.0 113.928 -173.346 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.92 -4.68 84.45 Favored Glycine 0 C--N 1.283 -2.401 0 C-N-CA 120.677 -0.773 . . . . 0.0 111.445 175.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 65.8 mtt -133.93 33.4 3.43 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 121.651 0.739 . . . . 0.0 109.097 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . 0.524 ' OG ' ' HA ' ' B' ' 23' ' ' CYS . 68.2 m -79.04 76.24 5.54 Favored 'General case' 0 N--CA 1.43 -1.456 0 CA-C-O 122.152 0.977 . . . . 0.0 111.796 -177.491 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 17.6 m -80.22 -31.28 38.62 Favored 'General case' 0 C--N 1.297 -1.685 0 CA-C-N 114.135 -1.393 . . . . 0.0 108.428 173.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' TRP . . . . . . . . . . . . . 82.1 m95 -113.99 99.77 7.91 Favored 'General case' 0 C--N 1.28 -2.44 0 CA-C-N 113.148 -1.842 . . . . 0.0 109.178 -179.123 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 50.9 m -122.07 88.34 2.92 Favored 'General case' 0 C--N 1.301 -1.535 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.872 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.31 -1.148 0 CA-C-N 116.374 -0.375 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.514 -0.44 0 CA-C-O 122.366 1.079 . . . . 0.0 109.504 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 24.4 tp -73.99 -22.66 59.52 Favored 'General case' 0 C--N 1.301 -1.503 0 CA-C-N 113.983 -1.462 . . . . 0.0 111.873 -175.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -75.77 -43.57 45.9 Favored 'General case' 0 N--CA 1.404 -2.732 0 C-N-CA 118.578 -1.249 . . . . 0.0 109.945 177.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.7 t -64.21 -31.72 73.03 Favored 'General case' 0 C--O 1.245 0.834 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 177.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.65 -50.33 67.49 Favored 'General case' 0 C--O 1.213 -0.818 0 CA-C-N 115.353 -0.839 . . . . 0.0 110.877 177.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.528 HD21 ' HA ' ' A' ' 20' ' ' LEU . 54.5 tp -52.94 -44.45 67.06 Favored 'General case' 0 N--CA 1.488 1.444 0 CA-C-O 120.912 0.387 . . . . 0.0 110.35 178.696 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.407 ' HA ' ' CD1' ' B' ' 15' ' ' LEU . . . -57.74 -51.29 70.15 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 114.7 -1.136 . . . . 0.0 110.352 178.668 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -61.15 -48.33 82.09 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.807 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp -59.03 -49.94 75.97 Favored 'General case' 0 C--N 1.308 -1.213 0 C-N-CA 123.85 0.86 . . . . 0.0 112.694 -177.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.454 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 7.5 t -71.18 -26.59 63.04 Favored 'General case' 0 C--N 1.302 -1.48 0 CA-C-O 121.327 0.584 . . . . 0.0 110.291 -176.539 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.4 t -75.36 -25.62 57.88 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.582 -178.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 24.8 m-70 -101.92 -58.47 1.87 Allowed 'General case' 0 CA--C 1.515 -0.37 0 N-CA-C 112.978 0.732 . . . . 0.0 112.978 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 19.0 m -104.19 -44.54 9.04 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 -177.123 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.454 ' C ' ' HA ' ' A' ' 10' ' ' CYS . . . 137.47 176.22 14.3 Favored Glycine 0 C--N 1.293 -1.859 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 177.411 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.481 ' SG ' HD11 ' A' ' 20' ' ' LEU . 20.8 p -142.76 155.02 44.78 Favored 'General case' 0 C--N 1.298 -1.661 0 CA-C-O 121.022 0.439 . . . . 0.0 111.714 -177.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.54 ' O ' HD12 ' A' ' 20' ' ' LEU . 10.8 p -89.94 144.89 25.54 Favored 'General case' 0 N--CA 1.415 -2.176 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.154 177.35 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.571 ' HB2' ' HB3' ' B' ' 6' ' ' GLU . 13.7 tptm -59.3 -41.38 88.85 Favored 'General case' 0 C--N 1.289 -2.059 0 C-N-CA 123.787 0.835 . . . . 0.0 112.53 -172.765 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.5 ' HG2' ' O ' ' B' ' 3' ' ' TRP . 23.0 mmm180 -68.86 -20.78 64.29 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 120.351 -0.54 . . . . 0.0 111.782 175.552 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.7 t -73.29 -38.45 65.88 Favored 'General case' 0 C--N 1.31 -1.148 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.54 HD12 ' O ' ' A' ' 16' ' ' THR . 2.1 mp -72.75 -36.9 67.82 Favored 'General case' 0 CA--C 1.496 -1.127 0 C-N-CA 118.737 -1.185 . . . . 0.0 108.486 175.028 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.504 ' HB2' HG21 ' B' ' 22' ' ' ILE . . . -59.02 -35.72 73.75 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 114.828 -1.078 . . . . 0.0 113.092 -178.297 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 -81.76 -5.69 58.39 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -176.225 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -118.62 -65.28 1.19 Allowed 'General case' 0 C--N 1.308 -1.214 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 176.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 17.3 t 58.46 -108.16 0.4 Allowed 'General case' 0 C--N 1.301 -1.533 0 CA-C-N 114.422 -1.263 . . . . 0.0 110.785 175.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.795 0 O-C-N 121.441 -0.787 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 13.2 t70 . . . . . 0 N--CA 1.471 0.598 0 CA-C-O 120.538 0.209 . . . . 0.0 110.457 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . 0.508 ' O ' ' HG2' ' B' ' 6' ' ' GLU . 4.8 m -68.56 131.64 45.59 Favored 'General case' 0 C--N 1.312 -1.027 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 179.49 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' TRP . . . . . 0.49 ' O ' ' HD3' ' A' ' 18' ' ' ARG . 85.3 m95 -84.7 -7.0 59.38 Favored 'General case' 0 C--N 1.283 -2.285 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 -167.508 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 54.3 tpp -65.12 -41.92 94.42 Favored 'General case' 0 C--N 1.306 -1.309 0 CA-C-N 116.629 -0.259 . . . . 0.0 111.351 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.436 ' O ' ' HG2' ' A' ' 18' ' ' ARG . 22.6 mm-40 -116.79 -89.59 0.57 Allowed 'General case' 0 C--N 1.307 -1.249 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -177.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.508 ' HG2' ' O ' ' B' ' 2' ' ' SER . 8.1 mm-40 64.69 122.9 0.02 OUTLIER 'General case' 0 C--O 1.215 -0.754 0 C-N-CA 125.004 1.322 . . . . 0.0 112.477 -177.74 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.7 p -131.9 123.98 52.46 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.163 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 176.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.461 ' HB ' HD13 ' B' ' 10' ' ' LEU . 26.1 pt -121.0 162.14 20.12 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.6 0 CA-C-O 121.167 0.508 . . . . 0.0 110.493 -176.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 58.4 mtpt -139.32 63.26 1.51 Allowed 'General case' 0 C--N 1.295 -1.795 0 CA-C-N 114.684 -1.143 . . . . 0.0 108.62 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.461 HD13 ' HB ' ' B' ' 8' ' ' ILE . 7.5 mp -102.64 175.59 5.45 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.134 -177.628 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 64.3 m -149.79 165.1 33.5 Favored 'General case' 0 C--N 1.297 -1.681 0 O-C-N 123.756 0.66 . . . . 0.0 109.73 -178.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 51.32 -129.44 32.64 Favored Glycine 0 C--O 1.248 1.005 0 O-C-N 123.894 0.746 . . . . 0.0 114.922 175.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 17.1 ptp180 -74.17 -10.31 59.48 Favored 'General case' 0 C--N 1.309 -1.179 0 CA-C-N 115.057 -0.572 . . . . 0.0 111.542 -178.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.94 -34.91 64.48 Favored 'General case' 0 N--CA 1.442 -0.874 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 174.012 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 88.7 mt -64.37 -41.52 96.68 Favored 'General case' 0 C--O 1.208 -1.114 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.327 175.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 46.4 t -66.16 -41.03 88.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.704 178.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 31.1 tpt180 -54.92 -57.19 12.62 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 177.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . 0.471 ' HB1' ' HE3' ' A' ' 17' ' ' LYS . . . -56.84 -45.4 82.41 Favored 'General case' 0 C--N 1.305 -1.353 0 CA-C-N 113.44 -1.709 . . . . 0.0 111.621 179.057 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . 0.526 ' HA ' HG22 ' B' ' 22' ' ' ILE . 36.7 mt-30 -64.37 -53.53 47.09 Favored 'General case' 0 C--O 1.198 -1.618 0 N-CA-C 112.594 0.59 . . . . 0.0 112.594 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 46.8 mm -57.27 -38.17 60.46 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.946 0 CA-C-O 121.313 0.578 . . . . 0.0 110.037 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.36 -48.41 73.06 Favored 'General case' 0 N--CA 1.437 -1.116 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.84 178.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.526 HG22 ' HA ' ' B' ' 19' ' ' GLN . 8.5 tp -70.7 -28.83 35.55 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.828 0 CA-C-O 121.011 0.434 . . . . 0.0 110.453 -178.631 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 4.4 t -76.0 -22.79 55.43 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.098 0.475 . . . . 0.0 110.056 -176.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -97.08 -7.95 57.03 Favored Glycine 0 N--CA 1.43 -1.727 0 C-N-CA 120.384 -0.912 . . . . 0.0 111.805 178.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 45.8 tpp -166.23 89.41 0.4 Allowed 'General case' 0 N--CA 1.443 -0.801 0 CA-C-O 121.207 0.527 . . . . 0.0 109.895 -177.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 14.6 m -96.61 -1.12 47.49 Favored 'General case' 0 C--N 1.307 -1.24 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.2 177.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 8.1 p -110.25 -174.06 2.4 Favored 'General case' 0 N--CA 1.393 -3.324 0 CA-C-N 114.934 -1.03 . . . . 0.0 111.365 -173.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' TRP . . . . . 0.432 ' HA ' ' CD1' ' B' ' 3' ' ' TRP . 29.2 m-90 -84.47 85.56 7.39 Favored 'General case' 0 C--N 1.285 -2.232 0 N-CA-C 114.386 1.254 . . . . 0.0 114.386 -169.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 53.2 m -149.96 97.03 2.53 Favored 'General case' 0 C--N 1.301 -1.51 0 CA-C-N 114.577 -1.192 . . . . 0.0 109.013 174.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.381 0 CA-C-N 116.413 -0.358 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.776 0 N-CA-C 111.33 0.122 . . . . 0.0 111.33 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.465 HD12 ' N ' ' A' ' 3' ' ' TYR . 2.7 pp -64.15 -30.41 71.47 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 112.84 0.681 . . . . 0.0 112.84 -177.509 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.465 ' N ' HD12 ' A' ' 2' ' ' LEU . 35.3 m-85 -70.18 -50.73 37.3 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-O 121.078 0.466 . . . . 0.0 110.201 177.178 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 18.2 m -60.37 -35.17 75.07 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.793 178.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.28 -52.07 66.84 Favored 'General case' 0 C--O 1.243 0.761 0 CA-C-O 121.11 0.481 . . . . 0.0 109.755 176.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.409 ' HG ' ' SG ' ' A' ' 10' ' ' CYS . 51.1 tp -61.6 -38.19 86.68 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.219 -0.9 . . . . 0.0 109.809 178.557 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.22 -44.88 72.07 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.775 179.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 54.8 m-80 -62.67 -48.08 80.87 Favored 'General case' 0 CA--C 1.502 -0.899 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 177.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 59.0 mtpt -59.18 -47.84 83.83 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-N 115.193 -0.912 . . . . 0.0 112.429 -176.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.409 ' SG ' ' HG ' ' A' ' 6' ' ' LEU . 38.3 m -69.33 -28.03 65.88 Favored 'General case' 0 C--N 1.308 -1.228 0 O-C-N 122.213 -0.304 . . . . 0.0 110.989 -179.688 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 42.9 t -79.22 -37.34 38.36 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-O 121.223 0.535 . . . . 0.0 110.588 -178.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 46.0 m-70 -86.23 -50.43 6.97 Favored 'General case' 0 C--N 1.31 -1.125 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -177.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.0 m -112.95 -46.1 5.23 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.806 0 CA-C-O 121.237 0.542 . . . . 0.0 112.394 -178.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 122.67 164.88 12.26 Favored Glycine 0 C--N 1.286 -2.214 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 178.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.5 p -150.92 164.49 36.2 Favored 'General case' 0 C--N 1.289 -2.053 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 -176.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.488 ' O ' HD12 ' A' ' 20' ' ' LEU . 38.3 p -78.46 151.67 32.51 Favored 'General case' 0 N--CA 1.397 -3.077 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 176.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.471 ' HE3' ' HB1' ' B' ' 18' ' ' ALA . 18.4 tptm -67.24 -25.22 65.98 Favored 'General case' 0 C--N 1.287 -2.134 0 N-CA-C 106.979 -1.489 . . . . 0.0 106.979 177.761 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.49 ' HD3' ' O ' ' B' ' 3' ' ' TRP . 45.0 mmm-85 -66.07 -30.36 70.87 Favored 'General case' 0 C--N 1.339 0.129 0 CA-C-N 114.891 -1.05 . . . . 0.0 109.242 173.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.9 t -73.11 -37.68 66.6 Favored 'General case' 0 N--CA 1.426 -1.666 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.543 -178.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.531 ' H ' HD12 ' A' ' 20' ' ' LEU . 0.8 OUTLIER -75.94 -31.91 59.32 Favored 'General case' 0 C--O 1.212 -0.881 0 C-N-CA 118.366 -1.333 . . . . 0.0 108.65 174.027 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.6 -34.68 74.58 Favored 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 32.1 ptt180 -75.02 -21.01 59.36 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 120.732 0.301 . . . . 0.0 111.691 179.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -97.0 -46.57 6.14 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.433 0.635 . . . . 0.0 110.101 179.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 49.7 t -170.04 88.53 0.15 Allowed 'General case' 0 C--N 1.293 -1.872 0 N-CA-C 106.795 -1.557 . . . . 0.0 106.795 174.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.314 -0.949 0 CA-C-N 116.175 -0.466 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . 0.584 ' O ' ' HG2' ' B' ' 4' ' ' MET . 1.9 m-20 . . . . . 0 N--CA 1.477 0.909 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -59.25 -25.79 64.35 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-O 122.293 1.044 . . . . 0.0 112.243 -176.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' TRP . . . . . 0.486 ' O ' ' HG2' ' A' ' 17' ' ' LYS . 41.1 p-90 -83.5 -18.46 38.4 Favored 'General case' 0 C--N 1.27 -2.874 0 CA-C-N 113.918 -1.492 . . . . 0.0 112.485 -178.54 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . 0.584 ' HG2' ' O ' ' B' ' 1' ' ' ASP . 23.4 ptt? -78.03 -24.81 47.7 Favored 'General case' 0 CA--C 1.499 -1.006 0 C-N-CA 119.656 -0.818 . . . . 0.0 111.69 -171.661 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -84.64 82.86 8.23 Favored 'General case' 0 N--CA 1.43 -1.47 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 177.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.546 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 8.7 tp10 -157.63 163.3 38.41 Favored 'General case' 0 N--CA 1.421 -1.891 0 CA-C-N 115.003 -0.999 . . . . 0.0 108.382 -174.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.1 p -137.32 124.0 28.86 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.251 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 176.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 22.2 pt -125.71 171.95 13.78 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.867 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 -178.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -136.53 77.28 1.64 Allowed 'General case' 0 C--N 1.284 -2.261 0 CA-C-O 121.683 0.754 . . . . 0.0 109.385 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 10.8 mp -107.71 171.39 7.42 Favored 'General case' 0 CA--C 1.475 -1.94 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.234 179.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 53.1 t -161.21 163.35 31.17 Favored 'General case' 0 C--N 1.286 -2.182 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.736 -175.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 54.85 -129.16 44.7 Favored Glycine 0 C--O 1.251 1.184 0 O-C-N 124.843 1.34 . . . . 0.0 113.068 179.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 75.3 mtm180 -67.67 -32.83 73.77 Favored 'General case' 0 C--N 1.299 -1.599 0 CA-C-N 114.539 -0.831 . . . . 0.0 111.634 -178.091 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -68.5 -34.03 75.18 Favored 'General case' 0 CA--C 1.488 -1.425 0 C-N-CA 120.374 -0.531 . . . . 0.0 110.339 -177.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.5 ' CD2' ' HA ' ' A' ' 7' ' ' ALA . 28.2 tp -66.8 -40.49 88.13 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-N 115.089 -0.959 . . . . 0.0 109.242 179.528 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . 0.427 ' O ' HG12 ' B' ' 20' ' ' ILE . 57.4 t -68.19 -40.45 82.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.333 176.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 75.9 mtp180 -57.76 -46.62 84.28 Favored 'General case' 0 CA--C 1.514 -0.442 0 C-N-CA 122.731 0.412 . . . . 0.0 110.781 176.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . 0.575 ' O ' HG12 ' B' ' 22' ' ' ILE . . . -61.96 -45.85 91.87 Favored 'General case' 0 C--N 1.315 -0.91 0 O-C-N 123.878 0.736 . . . . 0.0 110.037 177.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . 0.559 ' HG2' ' HB3' ' A' ' 20' ' ' LEU . 82.1 mt-30 -55.62 -53.51 55.59 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 123.269 0.628 . . . . 0.0 111.476 177.02 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . 0.427 HG12 ' O ' ' B' ' 16' ' ' VAL . 48.6 mm -58.93 -37.29 66.35 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.769 177.575 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.25 -40.19 96.74 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.425 178.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.575 HG12 ' O ' ' B' ' 18' ' ' ALA . 45.2 mm -59.87 -54.36 35.72 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.686 0 O-C-N 123.779 0.674 . . . . 0.0 109.538 177.188 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 77.9 m -74.68 -24.4 58.78 Favored 'General case' 0 C--N 1.304 -1.389 0 CA-C-N 115.27 -0.877 . . . . 0.0 112.018 -171.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.91 -21.24 59.68 Favored Glycine 0 C--N 1.279 -2.603 0 CA-C-N 115.107 -0.951 . . . . 0.0 112.235 176.104 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 41.8 tpp -148.44 79.67 1.44 Allowed 'General case' 0 N--CA 1.428 -1.542 0 CA-C-O 122.056 0.931 . . . . 0.0 111.825 -178.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 43.7 m -102.57 -0.13 32.54 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-N 114.867 -1.06 . . . . 0.0 109.399 173.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 3.1 m -85.5 -12.94 50.57 Favored 'General case' 0 C--N 1.288 -2.074 0 CA-C-O 122.672 1.225 . . . . 0.0 110.163 -176.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' TRP . . . . . . . . . . . . . 66.2 t-105 -71.73 138.45 48.5 Favored 'General case' 0 C--N 1.275 -2.651 0 CA-C-N 113.824 -1.534 . . . . 0.0 109.262 178.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 15.5 m -66.15 -69.34 0.31 Allowed 'General case' 0 C--N 1.315 -0.931 0 O-C-N 123.213 0.32 . . . . 0.0 110.566 179.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.87 0 O-C-N 122.345 -0.222 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.985 0 CA-C-O 122.025 0.917 . . . . 0.0 110.096 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.479 ' HB3' ' CE1' ' A' ' 23' ' ' PHE . 98.2 mt -62.69 -43.54 98.54 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-N 113.557 -1.656 . . . . 0.0 111.408 -177.162 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -72.7 -46.81 51.77 Favored 'General case' 0 C--N 1.306 -1.308 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.674 179.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 17.9 m -53.93 -43.85 70.14 Favored 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 114.875 -1.057 . . . . 0.0 111.559 177.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.38 -45.72 93.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.866 0.365 . . . . 0.0 110.255 178.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 44.7 tp -63.67 -43.35 96.95 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.152 178.144 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.5 ' HA ' ' CD2' ' B' ' 15' ' ' LEU . . . -56.76 -46.84 81.19 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.18 -179.552 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -70.58 -44.79 66.63 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.852 179.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 58.2 tttp -60.12 -48.13 82.99 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.654 -0.248 . . . . 0.0 111.549 -177.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.506 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 6.3 t -70.1 -30.0 67.1 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-O 120.846 0.355 . . . . 0.0 110.252 -177.485 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 22.7 t -72.97 -39.66 65.94 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.909 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 30.4 m-70 -81.26 -55.55 4.65 Favored 'General case' 0 CA--C 1.512 -0.495 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -178.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 19.1 m -112.04 -51.58 5.79 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.483 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 -177.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.506 ' C ' ' HA ' ' A' ' 10' ' ' CYS . . . 149.15 170.54 16.9 Favored Glycine 0 C--N 1.296 -1.694 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.7 p -139.59 158.77 43.57 Favored 'General case' 0 C--N 1.292 -1.898 0 CA-C-O 120.927 0.394 . . . . 0.0 110.585 -178.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.561 ' O ' HD12 ' A' ' 20' ' ' LEU . 8.8 p -93.29 144.73 25.03 Favored 'General case' 0 N--CA 1.404 -2.746 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.348 178.45 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.546 ' HB2' ' HB3' ' B' ' 6' ' ' GLU . 37.3 tptt -61.63 -35.8 78.96 Favored 'General case' 0 C--N 1.299 -1.594 0 C-N-CA 124.065 0.946 . . . . 0.0 109.534 -175.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.439 ' HG3' ' O ' ' B' ' 4' ' ' MET . 71.8 mtm180 -65.21 -27.7 68.87 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-O 121.018 0.437 . . . . 0.0 109.976 174.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.456 ' O ' ' HG2' ' A' ' 22' ' ' ARG . 16.1 t -76.81 -40.39 48.2 Favored 'General case' 0 N--CA 1.414 -2.24 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.003 -176.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.561 HD12 ' O ' ' A' ' 16' ' ' THR . 0.7 OUTLIER -69.49 -29.89 67.63 Favored 'General case' 0 CA--C 1.506 -0.725 0 C-N-CA 118.151 -1.42 . . . . 0.0 108.349 175.62 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.489 ' HA ' HG21 ' B' ' 22' ' ' ILE . . . -68.14 -36.16 79.24 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 115.135 -0.939 . . . . 0.0 112.448 178.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.456 ' HG2' ' O ' ' A' ' 19' ' ' SER . 20.6 ptt180 -77.02 -21.97 53.77 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.06 0.457 . . . . 0.0 111.048 -177.702 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.479 ' CE1' ' HB3' ' A' ' 2' ' ' LEU . 57.4 m-85 -95.31 -45.09 7.29 Favored 'General case' 0 C--N 1.311 -1.104 0 C-N-CA 120.424 -0.511 . . . . 0.0 111.079 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 39.6 t 67.82 87.18 0.12 Allowed 'General case' 0 C--N 1.306 -1.3 0 O-C-N 124.654 1.221 . . . . 0.0 111.068 176.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.849 0 CA-C-N 116.109 -0.496 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 . . . . . 0 N--CA 1.485 1.316 0 N-CA-C 112.481 0.549 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 19.9 m -67.38 -12.57 60.55 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-O 122.48 1.133 . . . . 0.0 111.803 -178.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' TRP . . . . . . . . . . . . . 32.1 p-90 -80.96 -9.59 59.82 Favored 'General case' 0 C--N 1.284 -2.244 0 CA-C-N 114.149 -1.387 . . . . 0.0 110.255 176.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . 0.465 ' O ' ' HB3' ' A' ' 17' ' ' LYS . 45.4 ttp -94.53 -31.29 13.98 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.53 -175.32 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -82.6 87.3 6.71 Favored 'General case' 0 C--N 1.312 -1.034 0 N-CA-C 105.401 -2.074 . . . . 0.0 105.401 170.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.546 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 31.2 tt0 -159.81 163.21 34.71 Favored 'General case' 0 N--CA 1.42 -1.937 0 N-CA-C 107.199 -1.408 . . . . 0.0 107.199 -171.317 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 6.7 p -140.2 128.66 25.83 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.366 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 177.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.476 HD13 ' H ' ' B' ' 8' ' ' ILE . 0.2 OUTLIER -131.4 165.05 32.7 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 -177.722 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -126.84 90.46 3.16 Favored 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 176.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 10.9 mp -119.95 175.36 5.94 Favored 'General case' 0 CA--C 1.485 -1.554 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.211 -178.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 56.7 m -152.47 163.19 40.04 Favored 'General case' 0 C--N 1.297 -1.709 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 -177.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 45.47 -122.1 5.28 Favored Glycine 0 CA--C 1.498 -0.972 0 O-C-N 124.635 1.21 . . . . 0.0 115.673 172.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.497 ' O ' ' HG2' ' B' ' 17' ' ' ARG . 55.7 ttp180 -62.82 -39.09 93.23 Favored 'General case' 0 C--N 1.304 -1.407 0 CA-C-N 114.155 -1.022 . . . . 0.0 110.75 -178.266 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -69.77 -31.66 69.73 Favored 'General case' 0 CA--C 1.499 -0.992 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 -175.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.557 ' O ' ' HG3' ' B' ' 19' ' ' GLN . 12.9 tp -68.15 -42.11 80.58 Favored 'General case' 0 N--CA 1.436 -1.152 0 CA-C-N 114.866 -1.061 . . . . 0.0 108.798 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 98.8 t -70.87 -36.56 64.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.535 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . 0.497 ' HG2' ' O ' ' B' ' 13' ' ' ARG . 12.1 mmt85 -59.66 -42.92 93.91 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.57 175.662 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . 0.472 ' O ' HG13 ' B' ' 22' ' ' ILE . . . -64.36 -44.84 90.17 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.571 177.602 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . 0.557 ' HG3' ' O ' ' B' ' 15' ' ' LEU . 94.4 mt-30 -54.67 -59.6 4.49 Favored 'General case' 0 C--O 1.22 -0.468 0 C-N-CA 124.215 1.006 . . . . 0.0 111.207 177.377 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 80.5 mt -53.79 -36.55 30.11 Favored 'Isoleucine or valine' 0 C--O 1.249 1.061 0 C-N-CA 124.024 0.929 . . . . 0.0 111.273 178.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.68 -26.9 65.53 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.451 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.472 HG13 ' O ' ' B' ' 18' ' ' ALA . 75.5 mt -88.52 -30.45 5.41 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.113 0 CA-C-O 121.278 0.561 . . . . 0.0 109.696 177.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 79.9 m -74.48 -24.6 59.04 Favored 'General case' 0 CA--C 1.508 -0.664 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.613 -176.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -111.96 -96.22 2.29 Favored Glycine 0 N--CA 1.413 -2.895 0 N-CA-C 107.118 -2.393 . . . . 0.0 107.118 170.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 15.2 tpt 179.09 92.29 0.02 OUTLIER 'General case' 0 C--N 1.298 -1.666 0 C-N-CA 124.183 0.993 . . . . 0.0 109.324 174.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 35.3 t -138.95 14.22 2.66 Favored 'General case' 0 C--N 1.283 -2.305 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 176.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 19.5 m -70.9 -35.22 72.2 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 122.894 1.33 . . . . 0.0 108.012 177.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' TRP . . . . . . . . . . . . . 95.7 m95 -154.53 178.53 9.97 Favored 'General case' 0 C--N 1.276 -2.589 0 CA-C-N 111.856 -2.429 . . . . 0.0 105.601 178.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 15.7 m -77.28 99.27 5.45 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 123.453 0.471 . . . . 0.0 110.054 179.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.31 -1.118 0 CA-C-N 116.665 -0.243 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.75 0 CA-C-O 121.961 0.886 . . . . 0.0 109.817 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 95.0 mt -66.71 -27.23 67.46 Favored 'General case' 0 C--N 1.294 -1.821 0 CA-C-N 113.961 -1.472 . . . . 0.0 113.165 -175.024 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -76.36 -40.18 51.81 Favored 'General case' 0 C--N 1.296 -1.739 0 C-N-CA 120.294 -0.562 . . . . 0.0 110.075 179.191 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 46.5 m -71.42 -37.6 71.47 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.419 176.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.02 -52.11 66.76 Favored 'General case' 0 C--O 1.209 -1.053 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.667 177.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 59.1 tp -56.93 -42.61 80.33 Favored 'General case' 0 C--N 1.33 -0.271 0 O-C-N 123.577 0.548 . . . . 0.0 110.41 178.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.462 ' HA ' ' CD2' ' B' ' 15' ' ' LEU . . . -57.98 -53.76 54.62 Favored 'General case' 0 C--O 1.246 0.904 0 CA-C-O 120.937 0.398 . . . . 0.0 111.007 179.405 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.613 ' O ' ' HD2' ' A' ' 12' ' ' HIS . 40.7 m-80 -66.31 -55.93 13.65 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.677 179.642 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -54.55 -44.74 73.14 Favored 'General case' 0 C--N 1.311 -1.068 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 -175.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.482 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 9.9 t -73.08 -27.03 61.49 Favored 'General case' 0 C--N 1.307 -1.271 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 -178.644 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 8.7 t -75.83 -34.71 60.12 Favored 'General case' 0 N--CA 1.441 -0.909 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.524 178.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.613 ' HD2' ' O ' ' A' ' 8' ' ' ASN . 48.3 m-70 -86.47 -58.39 2.64 Favored 'General case' 0 CA--C 1.499 -1.01 0 CA-C-O 121.713 0.768 . . . . 0.0 111.081 -179.287 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -104.97 -39.38 5.24 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.0 0 CA-C-N 114.797 -1.092 . . . . 0.0 111.85 -171.089 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.482 ' C ' ' HA ' ' A' ' 10' ' ' CYS . . . 122.73 170.41 13.57 Favored Glycine 0 N--CA 1.435 -1.389 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.428 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.441 ' SG ' HD11 ' A' ' 20' ' ' LEU . 26.1 p -144.46 158.9 43.53 Favored 'General case' 0 C--N 1.291 -1.964 0 CA-C-O 120.923 0.392 . . . . 0.0 110.435 -178.702 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.548 ' O ' HD12 ' A' ' 20' ' ' LEU . 17.3 p -86.68 144.53 27.08 Favored 'General case' 0 N--CA 1.401 -2.91 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.624 178.008 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.546 ' HB2' ' HB3' ' B' ' 6' ' ' GLU . 9.5 tptm -62.7 -34.39 77.06 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 -179.294 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.4 mmm180 -58.29 -31.57 67.61 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.44 172.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.412 ' HB3' ' O ' ' A' ' 16' ' ' THR . 47.4 t -73.6 -47.5 39.83 Favored 'General case' 0 N--CA 1.431 -1.423 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 -177.618 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.567 ' H ' HD12 ' A' ' 20' ' ' LEU . 0.8 OUTLIER -68.77 -27.01 65.51 Favored 'General case' 0 CA--C 1.507 -0.695 0 C-N-CA 119.014 -1.075 . . . . 0.0 109.257 179.749 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.404 ' HB2' HG21 ' B' ' 22' ' ' ILE . . . -68.15 -40.15 82.47 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.814 176.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 27.4 tpt180 -67.25 -27.92 67.62 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.738 -178.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -95.68 -50.26 5.01 Favored 'General case' 0 C--N 1.303 -1.433 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.655 -179.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 52.0 t 67.28 96.26 0.06 Allowed 'General case' 0 C--N 1.304 -1.412 0 C-N-CA 124.598 1.159 . . . . 0.0 110.692 -177.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.096 0 CA-C-N 116.033 -0.53 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 . . . . . 0 CA--C 1.504 -0.804 0 N-CA-C 111.459 0.17 . . . . 0.0 111.459 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 50.5 m -52.24 -18.07 1.38 Allowed 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 114.397 1.258 . . . . 0.0 114.397 -179.258 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' TRP . . . . . . . . . . . . . 14.8 p-90 -67.44 -10.7 53.89 Favored 'General case' 0 C--N 1.289 -2.056 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.532 175.225 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . 0.442 ' HG3' ' HG3' ' B' ' 5' ' ' GLU . 27.5 ptt? -67.79 -31.04 70.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 122.249 -0.282 . . . . 0.0 111.036 -179.077 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.442 ' HG3' ' HG3' ' B' ' 4' ' ' MET . 40.8 mt-10 -94.81 17.82 12.92 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.234 -176.245 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.549 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 23.4 tt0 -85.07 148.38 26.18 Favored 'General case' 0 N--CA 1.413 -2.285 0 N-CA-C 106.826 -1.546 . . . . 0.0 106.826 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 4.9 p -143.14 122.76 8.97 Favored 'Isoleucine or valine' 0 C--N 1.256 -3.494 0 CA-C-N 114.999 -1.0 . . . . 0.0 109.204 -179.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.526 ' HB ' HD13 ' B' ' 10' ' ' LEU . 0.2 OUTLIER -126.22 158.32 35.98 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.681 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.979 -176.208 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -116.26 75.24 0.94 Allowed 'General case' 0 N--CA 1.438 -1.037 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 178.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.526 HD13 ' HB ' ' B' ' 8' ' ' ILE . 9.8 mp -111.43 175.87 5.25 Favored 'General case' 0 CA--C 1.475 -1.934 0 CA-C-N 114.935 -1.03 . . . . 0.0 109.414 -179.475 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 45.7 t -156.39 164.17 38.6 Favored 'General case' 0 C--N 1.276 -2.627 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 -176.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 46.53 -123.52 7.3 Favored Glycine 0 C--N 1.303 -1.264 0 O-C-N 124.775 1.297 . . . . 0.0 115.592 178.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -67.41 -24.18 65.63 Favored 'General case' 0 C--N 1.306 -1.291 0 CA-C-N 114.05 -1.075 . . . . 0.0 111.433 -177.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . 0.4 ' HB3' HD23 ' B' ' 10' ' ' LEU . 36.9 mt-10 -72.04 -32.48 67.16 Favored 'General case' 0 N--CA 1.432 -1.343 0 C-N-CA 120.449 -0.5 . . . . 0.0 110.368 177.746 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 79.2 mt -63.21 -41.28 99.13 Favored 'General case' 0 CA--C 1.491 -1.291 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 173.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 43.0 t -62.04 -41.81 92.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 O-C-N 123.701 0.626 . . . . 0.0 109.689 178.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -57.37 -53.35 59.1 Favored 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 177.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.53 -38.72 85.33 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 114.162 -1.381 . . . . 0.0 111.853 179.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . 0.515 ' O ' HG22 ' B' ' 22' ' ' ILE . 87.4 mt-30 -63.92 -51.18 65.66 Favored 'General case' 0 C--N 1.315 -0.91 0 C-N-CA 123.608 0.763 . . . . 0.0 110.936 176.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 77.2 mt -60.67 -28.15 42.19 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.211 0 CA-C-O 121.491 0.662 . . . . 0.0 109.796 175.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.11 -21.67 53.9 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.534 177.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.515 HG22 ' O ' ' B' ' 19' ' ' GLN . 0.1 OUTLIER -89.69 -49.21 14.04 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.031 0 C-N-CA 120.22 -0.592 . . . . 0.0 109.42 176.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 71.8 m -76.19 -24.34 54.71 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 112.797 0.666 . . . . 0.0 112.797 -175.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -108.75 36.37 4.39 Favored Glycine 0 C--N 1.284 -2.306 0 C-N-CA 121.043 -0.598 . . . . 0.0 112.865 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 12.8 tpt -143.87 73.5 1.39 Allowed 'General case' 0 C--N 1.314 -0.95 0 CA-C-O 122.092 0.949 . . . . 0.0 109.932 178.044 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 20.4 m -104.14 20.69 17.82 Favored 'General case' 0 C--N 1.292 -1.93 0 CA-C-N 114.657 -1.156 . . . . 0.0 110.014 -179.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 8.1 m -73.4 -18.54 61.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 122.646 1.212 . . . . 0.0 109.771 178.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' TRP . . . . . . . . . . . . . 24.7 m95 -91.61 120.66 32.59 Favored 'General case' 0 C--N 1.281 -2.378 0 CA-C-N 113.956 -1.475 . . . . 0.0 107.768 177.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 44.2 m -153.81 90.89 1.41 Allowed 'General case' 0 C--N 1.302 -1.469 0 CA-C-O 121.395 0.617 . . . . 0.0 109.884 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.471 0 CA-C-N 116.234 -0.439 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.001 0 CA-C-O 120.48 0.181 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 94.5 mt -69.54 -25.6 64.09 Favored 'General case' 0 CA--C 1.485 -1.538 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 -177.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -75.65 -43.94 45.13 Favored 'General case' 0 N--CA 1.404 -2.76 0 C-N-CA 118.278 -1.369 . . . . 0.0 110.745 178.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.7 m -62.22 -36.71 82.79 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.366 178.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.21 -44.14 97.75 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.723 177.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.466 HD21 ' HA ' ' A' ' 20' ' ' LEU . 32.7 tp -61.46 -51.04 70.35 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 176.763 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.5 -45.75 69.8 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 114.906 -1.043 . . . . 0.0 111.673 -177.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -70.15 -39.6 75.27 Favored 'General case' 0 C--O 1.207 -1.147 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.141 178.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 26.2 tptp -61.99 -50.75 70.84 Favored 'General case' 0 C--N 1.311 -1.094 0 C-N-CA 122.722 0.409 . . . . 0.0 110.644 -176.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.403 ' HA ' ' CA ' ' A' ' 14' ' ' GLY . 29.6 m -65.62 -37.19 85.88 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-O 120.955 0.407 . . . . 0.0 110.147 -179.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 34.7 t -69.56 -40.45 76.79 Favored 'General case' 0 C--O 1.247 0.967 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.207 -177.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 25.9 m170 -79.95 -54.05 6.17 Favored 'General case' 0 CA--C 1.499 -0.981 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.569 -176.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 18.2 m -117.99 -49.48 4.02 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.775 0 N-CA-C 112.605 0.594 . . . . 0.0 112.605 -177.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.403 ' CA ' ' HA ' ' A' ' 10' ' ' CYS . . . 140.63 173.2 13.31 Favored Glycine 0 C--N 1.291 -1.926 0 N-CA-C 110.753 -0.939 . . . . 0.0 110.753 178.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.0 p -153.99 161.61 41.83 Favored 'General case' 0 C--N 1.293 -1.869 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 178.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.529 ' O ' HD12 ' A' ' 20' ' ' LEU . 22.7 p -81.18 153.53 27.16 Favored 'General case' 0 N--CA 1.408 -2.557 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.563 179.552 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.549 ' HB2' ' HB3' ' B' ' 6' ' ' GLU . 16.1 tptm -61.99 -31.37 71.73 Favored 'General case' 0 C--N 1.283 -2.316 0 C-N-CA 123.668 0.787 . . . . 0.0 110.367 -176.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 25.4 mmm180 -74.82 -21.06 59.5 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.254 175.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.8 t -74.34 -38.8 63.15 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 178.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.529 HD12 ' O ' ' A' ' 16' ' ' THR . 2.7 mp -71.75 -34.37 69.44 Favored 'General case' 0 CA--C 1.497 -1.062 0 C-N-CA 118.729 -1.188 . . . . 0.0 108.424 174.14 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.99 -34.98 70.58 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.334 -0.848 . . . . 0.0 113.06 179.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 -82.65 5.41 21.21 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 -177.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -129.36 -55.15 1.17 Allowed 'General case' 0 C--N 1.31 -1.134 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 175.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 9.5 t 48.51 84.07 0.03 OUTLIER 'General case' 0 C--N 1.312 -1.048 0 C-N-CA 125.962 1.705 . . . . 0.0 112.165 175.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.31 -1.14 0 O-C-N 121.91 -0.494 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 19.2 p-10 . . . . . 0 N--CA 1.471 0.61 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . 0.61 ' O ' ' HG2' ' B' ' 6' ' ' GLU . 45.6 t -71.32 124.98 25.77 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-O 121.687 0.756 . . . . 0.0 110.536 177.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' TRP . . . . . 0.417 ' CD1' ' HA ' ' B' ' 27' ' ' THR . 73.6 m95 -63.57 -21.7 66.49 Favored 'General case' 0 C--N 1.292 -1.896 0 CA-C-N 113.552 -1.658 . . . . 0.0 114.143 -169.303 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . 0.436 ' HG2' ' NH2' ' A' ' 18' ' ' ARG . 65.5 mtt -85.04 -9.5 57.93 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-O 120.661 0.267 . . . . 0.0 111.338 -179.739 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -125.68 18.81 8.0 Favored 'General case' 0 C--O 1.244 0.771 0 CA-C-O 120.691 0.281 . . . . 0.0 111.069 -174.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.61 ' HG2' ' O ' ' B' ' 2' ' ' SER . 20.8 mm-40 -95.09 118.08 31.28 Favored 'General case' 0 C--N 1.303 -1.436 0 CA-C-O 121.633 0.73 . . . . 0.0 111.853 -176.221 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.4 p -140.77 129.61 24.98 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.635 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 174.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.428 ' HB ' HD13 ' B' ' 10' ' ' LEU . 22.4 pt -131.76 164.25 35.1 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 CA-C-O 121.171 0.51 . . . . 0.0 110.498 -176.367 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -136.82 91.59 2.65 Favored 'General case' 0 C--N 1.292 -1.901 0 CA-C-N 114.795 -1.093 . . . . 0.0 108.191 176.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.445 HD23 ' HB3' ' B' ' 14' ' ' GLU . 9.2 mp -125.89 175.6 7.56 Favored 'General case' 0 CA--C 1.485 -1.533 0 CA-C-N 114.359 -1.292 . . . . 0.0 108.95 -176.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' CYS . . . . . 0.444 ' O ' ' HB2' ' B' ' 14' ' ' GLU . 39.3 m -148.48 164.12 35.13 Favored 'General case' 0 C--N 1.293 -1.867 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 -178.61 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 49.95 -127.99 25.1 Favored Glycine 0 C--O 1.239 0.42 0 N-CA-C 115.047 0.779 . . . . 0.0 115.047 174.138 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 26.0 mmt180 -63.83 -23.94 67.55 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.139 -0.53 . . . . 0.0 111.738 -179.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . 0.445 ' HB3' HD23 ' B' ' 10' ' ' LEU . 23.4 mm-40 -69.58 -35.58 75.49 Favored 'General case' 0 N--CA 1.436 -1.149 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 -179.385 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.408 HD13 ' HA ' ' A' ' 7' ' ' ALA . 88.9 mt -67.07 -42.19 85.12 Favored 'General case' 0 C--O 1.211 -0.946 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.818 175.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . 0.475 ' O ' HG12 ' B' ' 20' ' ' ILE . 47.0 t -65.73 -42.19 91.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 123.809 0.693 . . . . 0.0 110.234 -178.031 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . 0.467 ' CZ ' ' HA ' ' B' ' 17' ' ' ARG . 0.2 OUTLIER -57.03 -52.47 65.14 Favored 'General case' 0 C--O 1.243 0.762 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 178.616 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.79 -45.43 92.34 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 113.951 -1.477 . . . . 0.0 110.938 178.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . 0.486 ' HG2' ' HB3' ' A' ' 20' ' ' LEU . 74.3 mt-30 -57.78 -51.81 68.06 Favored 'General case' 0 C--N 1.318 -0.776 0 C-N-CA 124.033 0.933 . . . . 0.0 112.549 178.432 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . 0.475 HG12 ' O ' ' B' ' 16' ' ' VAL . 48.1 mm -58.35 -46.56 89.14 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.349 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.048 178.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.21 -43.14 95.94 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.187 0.517 . . . . 0.0 110.722 -179.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.618 HD12 ' HB2' ' A' ' 21' ' ' ALA . 0.3 OUTLIER -69.81 -28.15 35.91 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.974 0 CA-C-O 121.773 0.797 . . . . 0.0 110.021 -178.428 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 2.9 t -79.38 -20.03 48.69 Favored 'General case' 0 C--N 1.29 -2.005 0 CA-C-O 121.344 0.592 . . . . 0.0 109.565 -178.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -93.7 -16.12 46.85 Favored Glycine 0 N--CA 1.438 -1.211 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.913 177.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -148.45 80.88 1.46 Allowed 'General case' 0 CA--C 1.502 -0.9 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 -179.256 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . 0.471 ' HA ' HD13 ' B' ' 22' ' ' ILE . 19.3 m -81.83 -17.14 48.5 Favored 'General case' 0 C--N 1.3 -1.566 0 CA-C-O 121.75 0.786 . . . . 0.0 112.158 -178.018 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . 0.431 HG22 ' H ' ' B' ' 28' ' ' TRP . 6.9 m -162.03 173.21 14.71 Favored 'General case' 0 C--N 1.265 -3.086 0 N-CA-C 103.977 -2.601 . . . . 0.0 103.977 178.64 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' TRP . . . . . 0.431 ' H ' HG22 ' B' ' 27' ' ' THR . 89.2 m95 -79.1 127.41 31.97 Favored 'General case' 0 C--N 1.286 -2.162 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 178.202 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 17.6 m -94.06 94.11 8.22 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-O 121.047 0.451 . . . . 0.0 110.295 -179.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.309 -1.187 0 O-C-N 122.267 -0.27 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.72 0 CA-C-O 120.703 0.287 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 91.9 mt -71.68 -22.0 61.72 Favored 'General case' 0 CA--C 1.483 -1.627 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 -177.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -59.28 -47.99 83.29 Favored 'General case' 0 N--CA 1.415 -2.185 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 171.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.1 m -68.99 -33.12 73.15 Favored 'General case' 0 C--O 1.248 0.985 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.616 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.1 -43.11 99.41 Favored 'General case' 0 C--O 1.242 0.665 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.215 176.304 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.483 HD21 ' HA ' ' A' ' 20' ' ' LEU . 35.8 tp -63.53 -44.87 92.97 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.623 176.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.408 ' HA ' HD13 ' B' ' 15' ' ' LEU . . . -54.13 -48.69 70.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.511 -178.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -64.85 -40.66 95.51 Favored 'General case' 0 C--O 1.204 -1.337 0 C-N-CA 120.843 -0.343 . . . . 0.0 111.185 177.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.5 tmtm? -61.72 -48.78 79.19 Favored 'General case' 0 C--N 1.307 -1.277 0 C-N-CA 123.005 0.522 . . . . 0.0 110.689 -178.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 34.9 m -71.89 -26.54 62.37 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 122.456 -0.153 . . . . 0.0 111.063 -179.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 45.0 t -79.51 -39.47 31.93 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-O 120.771 0.32 . . . . 0.0 110.473 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -77.24 -53.3 7.89 Favored 'General case' 0 CA--C 1.497 -1.089 0 CA-C-O 120.929 0.395 . . . . 0.0 111.622 -176.183 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.7 m -117.18 -46.16 3.74 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 CA-C-N 115.39 -0.823 . . . . 0.0 112.492 -177.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 125.35 163.54 11.63 Favored Glycine 0 C--N 1.292 -1.885 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 178.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.8 p -147.12 164.13 34.07 Favored 'General case' 0 C--N 1.294 -1.845 0 N-CA-C 110.043 -0.355 . . . . 0.0 110.043 -177.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.503 ' O ' HD12 ' A' ' 20' ' ' LEU . 8.1 p -74.5 153.02 39.29 Favored 'General case' 0 N--CA 1.396 -3.16 0 CA-C-N 115.619 -0.718 . . . . 0.0 109.689 176.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.611 ' HG3' ' CG1' ' B' ' 22' ' ' ILE . 18.4 tptm -67.37 -29.37 68.89 Favored 'General case' 0 C--N 1.281 -2.405 0 N-CA-C 108.069 -1.086 . . . . 0.0 108.069 -178.335 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.436 ' NH2' ' HG2' ' B' ' 4' ' ' MET . 94.9 mtt180 -65.61 -26.67 67.93 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.705 172.214 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.422 ' O ' ' HD1' ' A' ' 23' ' ' PHE . 31.8 t -73.9 -39.66 63.71 Favored 'General case' 0 N--CA 1.43 -1.451 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 -179.533 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.503 HD12 ' O ' ' A' ' 16' ' ' THR . 1.6 mp -73.78 -29.3 62.12 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 118.985 -1.086 . . . . 0.0 108.921 175.477 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.618 ' HB2' HD12 ' B' ' 22' ' ' ILE . . . -59.97 -34.46 73.32 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 115.229 -0.896 . . . . 0.0 112.675 178.493 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.8 ptt180 -86.0 6.41 28.85 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-O 121.094 0.473 . . . . 0.0 112.23 -179.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.422 ' HD1' ' O ' ' A' ' 19' ' ' SER . 70.5 m-85 -121.89 -62.03 1.44 Allowed 'General case' 0 CA--C 1.505 -0.778 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.485 177.143 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 68.3 m 71.3 -73.15 0.1 Allowed 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.437 1.095 . . . . 0.0 111.544 -176.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.906 0 O-C-N 121.93 -0.481 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 . . . . . 0 N--CA 1.481 1.121 0 N-CA-C 113.331 0.864 . . . . 0.0 113.331 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . 0.592 ' O ' ' HG2' ' B' ' 6' ' ' GLU . 9.3 m -68.7 128.09 35.39 Favored 'General case' 0 C--O 1.207 -1.157 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 177.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' TRP . . . . . 0.494 ' HD1' ' CD1' ' B' ' 28' ' ' TRP . 75.8 m95 -65.12 -24.06 67.31 Favored 'General case' 0 C--N 1.294 -1.833 0 N-CA-C 115.436 1.643 . . . . 0.0 115.436 -165.418 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 51.1 tpp -80.61 -46.3 15.9 Favored 'General case' 0 C--N 1.31 -1.118 0 C-N-CA 118.859 -1.136 . . . . 0.0 110.671 -178.144 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -108.9 91.8 3.79 Favored 'General case' 0 C--N 1.3 -1.563 0 CA-C-O 121.567 0.699 . . . . 0.0 111.601 -178.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.661 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 15.8 mm-40 -146.85 125.43 12.48 Favored 'General case' 0 C--N 1.304 -1.404 0 CA-C-N 114.71 -1.132 . . . . 0.0 110.845 -177.733 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . 0.458 ' HA ' ' O ' ' A' ' 15' ' ' CYS . 5.5 p -150.89 108.43 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.293 -1.884 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 175.545 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 34.4 pt -133.94 173.17 15.08 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.692 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 -176.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -115.65 139.58 49.99 Favored 'General case' 0 C--N 1.291 -1.948 0 O-C-N 123.809 0.693 . . . . 0.0 109.14 175.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.756 ' HG ' HD23 ' B' ' 15' ' ' LEU . 0.3 OUTLIER -155.09 166.0 34.95 Favored 'General case' 0 C--N 1.291 -1.946 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 -179.44 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' CYS . . . . . 0.482 ' CA ' ' HG ' ' B' ' 15' ' ' LEU . 57.5 m -156.1 158.68 38.15 Favored 'General case' 0 C--N 1.284 -2.27 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 -172.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 47.21 -121.64 6.47 Favored Glycine 0 C--O 1.257 1.585 0 O-C-N 124.486 1.116 . . . . 0.0 115.632 176.167 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.597 ' O ' ' HD3' ' B' ' 17' ' ' ARG . 95.6 mtt180 -63.01 -38.32 90.71 Favored 'General case' 0 C--N 1.308 -1.225 0 CA-C-N 113.679 -1.26 . . . . 0.0 109.262 -178.715 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . 0.462 ' O ' HD12 ' B' ' 10' ' ' LEU . 47.7 mt-10 -61.86 -37.43 84.51 Favored 'General case' 0 C--O 1.245 0.854 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.191 179.577 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.756 HD23 ' HG ' ' B' ' 10' ' ' LEU . 26.4 mt -61.06 -42.69 98.97 Favored 'General case' 0 C--N 1.36 1.037 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 95.5 t -68.01 -43.72 85.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 114.252 -1.34 . . . . 0.0 110.621 -177.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . 0.597 ' HD3' ' O ' ' B' ' 13' ' ' ARG . 6.8 mpt_? -53.92 -45.21 71.13 Favored 'General case' 0 C--N 1.32 -0.704 0 O-C-N 123.704 0.628 . . . . 0.0 112.114 179.734 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . 0.587 ' O ' HG13 ' B' ' 22' ' ' ILE . . . -74.93 -46.29 36.76 Favored 'General case' 0 C--N 1.307 -1.278 0 C-N-CA 120.382 -0.527 . . . . 0.0 110.577 179.077 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . 0.563 ' HG2' ' HB3' ' A' ' 20' ' ' LEU . 70.0 mt-30 -54.67 -54.56 40.09 Favored 'General case' 0 CA--C 1.517 -0.307 0 O-C-N 123.386 0.429 . . . . 0.0 111.994 -179.059 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 46.3 mm -63.43 -36.17 75.2 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.1 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.128 -179.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.54 -48.6 78.8 Favored 'General case' 0 C--O 1.22 -0.475 0 CA-C-N 116.773 -0.194 . . . . 0.0 110.754 178.126 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.587 HG13 ' O ' ' B' ' 18' ' ' ALA . 25.0 mt -69.1 -28.32 38.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 CA-C-O 121.787 0.803 . . . . 0.0 109.761 -179.242 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 8.7 t -75.19 -22.12 58.23 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-N 115.031 -0.986 . . . . 0.0 109.868 -175.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -103.82 -31.7 4.71 Favored Glycine 0 N--CA 1.446 -0.676 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 176.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 23.6 mmt -106.69 62.04 0.63 Allowed 'General case' 0 C--N 1.311 -1.073 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 179.105 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 42.2 m -82.45 30.7 0.41 Allowed 'General case' 0 C--N 1.293 -1.882 0 CA-C-N 114.137 -1.392 . . . . 0.0 111.891 -179.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 4.2 m -142.4 173.9 11.11 Favored 'General case' 0 N--CA 1.403 -2.821 0 N-CA-C 103.304 -2.85 . . . . 0.0 103.304 179.067 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' TRP . . . . . 0.494 ' CD1' ' HD1' ' B' ' 3' ' ' TRP . 25.5 m-90 -81.61 77.35 8.47 Favored 'General case' 0 C--N 1.275 -2.67 0 CA-C-O 121.532 0.682 . . . . 0.0 109.753 178.047 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 13.3 m -114.12 91.55 3.67 Favored 'General case' 0 N--CA 1.425 -1.683 0 CA-C-N 114.475 -1.239 . . . . 0.0 108.376 -179.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.3 -1.562 0 CA-C-N 116.356 -0.383 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.128 0 N-CA-C 110.389 -0.226 . . . . 0.0 110.389 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 96.1 mt -69.38 -31.89 70.57 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.229 -179.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -59.51 -55.52 33.55 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 120.916 0.389 . . . . 0.0 110.894 176.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.9 m -65.43 -31.64 72.85 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.193 -179.013 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.77 -51.1 66.39 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 176.156 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.512 HD21 ' HA ' ' A' ' 20' ' ' LEU . 67.0 tp -58.48 -46.4 86.71 Favored 'General case' 0 CA--C 1.517 -0.295 0 O-C-N 123.716 0.635 . . . . 0.0 110.055 178.28 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.73 -51.88 61.92 Favored 'General case' 0 C--N 1.328 -0.362 0 O-C-N 123.728 0.643 . . . . 0.0 111.42 179.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -67.13 -48.43 68.11 Favored 'General case' 0 CA--C 1.51 -0.574 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -61.15 -44.69 96.93 Favored 'General case' 0 C--N 1.312 -1.044 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 -178.119 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.432 ' HA ' ' CA ' ' A' ' 14' ' ' GLY . 4.5 t -77.65 -16.69 58.37 Favored 'General case' 0 C--N 1.295 -1.791 0 CA-C-O 121.295 0.569 . . . . 0.0 110.124 -176.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.437 ' HA ' ' O ' ' B' ' 10' ' ' LEU . 42.0 t -81.15 -34.67 32.28 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-O 121.497 0.665 . . . . 0.0 110.013 176.305 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -89.23 -62.58 1.45 Allowed 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.914 -179.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 29.2 m -96.95 -51.77 10.08 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 CA-C-O 121.339 0.59 . . . . 0.0 111.338 -177.217 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.432 ' CA ' ' HA ' ' A' ' 10' ' ' CYS . . . 133.13 178.22 15.42 Favored Glycine 0 C--N 1.289 -2.06 0 N-CA-C 110.226 -1.15 . . . . 0.0 110.226 178.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.458 ' O ' ' HA ' ' B' ' 7' ' ' VAL . 29.9 p -159.3 165.82 32.6 Favored 'General case' 0 C--N 1.288 -2.102 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 -176.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.526 ' HA ' ' O ' ' B' ' 6' ' ' GLU . 40.4 p -72.21 145.17 48.18 Favored 'General case' 0 N--CA 1.397 -3.098 0 CA-C-O 122.064 0.935 . . . . 0.0 110.115 177.108 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.661 ' HB2' ' HB3' ' B' ' 6' ' ' GLU . 13.7 tptm -65.24 -30.64 71.55 Favored 'General case' 0 C--N 1.268 -2.965 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 39.1 mtm105 -71.58 -21.01 61.93 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.145 175.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.505 ' HB3' ' OG1' ' A' ' 16' ' ' THR . 23.2 p -74.81 -42.93 57.13 Favored 'General case' 0 N--CA 1.435 -1.194 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 179.513 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.563 ' HB3' ' HG2' ' B' ' 19' ' ' GLN . 11.0 mt -63.31 -40.67 97.98 Favored 'General case' 0 CA--C 1.491 -1.29 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 176.246 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.513 ' HB2' HG21 ' B' ' 22' ' ' ILE . . . -55.32 -37.66 67.68 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-N 114.073 -1.421 . . . . 0.0 112.59 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -89.43 9.27 27.0 Favored 'General case' 0 C--O 1.239 0.522 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 -177.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.433 ' HD2' ' O ' ' A' ' 19' ' ' SER . 71.5 m-85 -121.01 -53.12 2.06 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.16 175.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 50.8 t 59.89 79.38 0.24 Allowed 'General case' 0 CA--C 1.549 0.907 0 O-C-N 123.849 0.718 . . . . 0.0 111.298 178.185 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.314 -0.964 0 O-C-N 121.876 -0.515 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 . . . . . 0 N--CA 1.452 -0.358 0 CA-C-O 120.434 0.159 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . 0.417 ' O ' ' HG3' ' B' ' 6' ' ' GLU . 12.8 p -87.14 98.39 11.27 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-O 121.499 0.666 . . . . 0.0 110.991 177.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' TRP . . . . . 0.421 ' CD1' ' HA ' ' B' ' 28' ' ' TRP . 57.0 m95 -56.73 -44.3 81.51 Favored 'General case' 0 C--N 1.292 -1.895 0 N-CA-C 114.565 1.32 . . . . 0.0 114.565 -171.426 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 72.2 mtm -76.56 -9.0 58.34 Favored 'General case' 0 C--N 1.313 -1.007 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -174.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -116.6 -20.49 9.56 Favored 'General case' 0 C--N 1.314 -0.947 0 N-CA-C 113.164 0.801 . . . . 0.0 113.164 -176.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.49 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 32.6 mt-10 -64.36 119.8 11.02 Favored 'General case' 0 N--CA 1.438 -1.028 0 N-CA-C 114.861 1.43 . . . . 0.0 114.861 -177.107 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . 0.468 ' HA ' ' HA ' ' A' ' 16' ' ' THR . 3.4 p -133.81 107.93 11.01 Favored 'Isoleucine or valine' 0 C--N 1.271 -2.83 0 CA-C-N 112.715 -2.039 . . . . 0.0 105.945 172.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . 0.269 1.5 pp -119.52 171.93 7.2 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.977 0 N-CA-C 115.012 1.486 . . . . 0.0 115.012 -170.707 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 24.3 tptm -124.64 122.35 37.28 Favored 'General case' 0 C--N 1.293 -1.868 0 CA-C-N 113.926 -1.488 . . . . 0.0 107.993 -173.229 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.742 ' HG ' HD23 ' B' ' 15' ' ' LEU . 0.1 OUTLIER -167.44 169.9 11.82 Favored 'General case' 0 C--N 1.301 -1.535 0 C-N-CA 122.978 0.511 . . . . 0.0 109.757 -175.521 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' CYS . . . . . 0.411 ' CA ' ' HG ' ' B' ' 15' ' ' LEU . 62.7 m -157.45 163.0 38.96 Favored 'General case' 0 C--N 1.292 -1.932 0 N-CA-C 107.081 -1.452 . . . . 0.0 107.081 -178.309 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 46.53 -124.44 7.98 Favored Glycine 0 C--O 1.246 0.904 0 N-CA-C 115.821 1.088 . . . . 0.0 115.821 175.45 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 22.4 mtp180 -66.11 -29.87 70.27 Favored 'General case' 0 C--N 1.298 -1.639 0 CA-C-N 113.884 -1.158 . . . . 0.0 111.301 -177.559 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . 0.449 ' O ' HD12 ' B' ' 10' ' ' LEU . 9.3 mm-40 -66.01 -34.95 79.26 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.093 176.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.742 HD23 ' HG ' ' B' ' 10' ' ' LEU . 22.0 mt -63.4 -42.57 98.79 Favored 'General case' 0 C--N 1.35 0.593 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 178.433 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 44.1 t -66.82 -40.08 85.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 114.429 -1.26 . . . . 0.0 110.237 -177.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . 0.438 ' HD2' ' OE1' ' B' ' 14' ' ' GLU . 90.7 mtt180 -56.2 -46.1 79.58 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.813 -0.63 . . . . 0.0 112.506 177.219 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . 0.653 ' O ' HG13 ' B' ' 22' ' ' ILE . . . -68.89 -42.92 76.29 Favored 'General case' 0 C--N 1.305 -1.34 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.339 178.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . 0.566 ' HG2' ' HB3' ' A' ' 20' ' ' LEU . 93.0 mt-30 -52.28 -55.86 18.54 Favored 'General case' 0 C--O 1.241 0.614 0 C-N-CA 123.627 0.771 . . . . 0.0 111.243 178.226 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 80.7 mt -57.79 -42.18 81.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.875 178.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.89 -19.29 65.7 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.026 -0.534 . . . . 0.0 112.404 -179.014 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.653 HG13 ' O ' ' B' ' 18' ' ' ALA . 66.8 mt -83.21 -55.37 7.42 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.19 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 178.331 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 11.8 m -74.73 -20.11 59.96 Favored 'General case' 0 C--N 1.309 -1.178 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -176.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -65.86 -24.85 71.67 Favored Glycine 0 C--N 1.298 -1.536 0 CA-C-N 115.362 -0.835 . . . . 0.0 111.487 171.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 24.2 ptm -145.59 65.02 1.24 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 122.108 0.956 . . . . 0.0 110.234 178.047 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 7.1 p -83.79 66.96 9.34 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-O 122.241 1.02 . . . . 0.0 111.269 -177.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 1.9 p -142.61 139.7 31.4 Favored 'General case' 0 N--CA 1.402 -2.85 0 CA-C-N 113.74 -1.573 . . . . 0.0 107.186 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' TRP . . . . . 0.421 ' HA ' ' CD1' ' B' ' 3' ' ' TRP . 74.6 t90 -75.9 -12.99 60.26 Favored 'General case' 0 C--N 1.297 -1.71 0 CA-C-O 122.628 1.204 . . . . 0.0 110.822 -176.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 39.1 t -120.03 83.36 2.04 Favored 'General case' 0 C--N 1.255 -3.527 0 CA-C-N 113.876 -1.511 . . . . 0.0 107.643 176.542 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.775 0 CA-C-N 116.183 -0.462 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.008 0 CA-C-O 122.232 1.015 . . . . 0.0 109.764 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 46.4 tp -69.69 -27.01 64.64 Favored 'General case' 0 C--N 1.298 -1.64 0 CA-C-N 113.918 -1.492 . . . . 0.0 112.373 -174.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -78.31 -37.34 44.95 Favored 'General case' 0 N--CA 1.424 -1.742 0 C-N-CA 117.491 -1.683 . . . . 0.0 110.371 178.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 29.7 m -64.97 -45.4 85.83 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.739 176.224 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.85 -43.32 93.39 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.733 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.609 HD12 ' SG ' ' A' ' 15' ' ' CYS . 55.0 tp -48.68 -56.67 7.88 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 124.093 0.957 . . . . 0.0 112.282 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.56 -45.11 81.42 Favored 'General case' 0 CA--C 1.512 -0.486 0 O-C-N 123.631 0.582 . . . . 0.0 111.02 -177.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -72.23 -36.14 69.04 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.233 -178.313 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 57.5 tttp -67.81 -52.85 32.27 Favored 'General case' 0 C--N 1.307 -1.26 0 C-N-CA 122.928 0.491 . . . . 0.0 109.873 -176.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.604 ' HB3' HD23 ' B' ' 10' ' ' LEU . 27.7 m -68.04 -21.06 65.03 Favored 'General case' 0 C--N 1.306 -1.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.652 178.661 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 13.3 t -81.45 -34.75 31.25 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-O 120.921 0.391 . . . . 0.0 110.425 179.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 43.2 m-70 -89.83 -56.5 3.21 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -178.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 17.7 m -108.74 -48.25 7.4 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.611 0 N-CA-C 112.678 0.621 . . . . 0.0 112.678 -176.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.494 ' HA2' ' HA ' ' A' ' 10' ' ' CYS . . . 125.87 149.79 7.51 Favored Glycine 0 C--N 1.286 -2.231 0 N-CA-C 109.18 -1.568 . . . . 0.0 109.18 -178.247 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.609 ' SG ' HD12 ' A' ' 6' ' ' LEU 0.271 9.0 p -151.3 164.96 35.47 Favored 'General case' 0 C--N 1.293 -1.886 0 CA-C-N 117.322 0.561 . . . . 0.0 112.409 -177.842 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.468 ' HA ' ' HA ' ' B' ' 7' ' ' VAL . 35.4 p -62.69 144.58 56.19 Favored 'General case' 0 N--CA 1.418 -2.071 0 N-CA-C 115.071 1.508 . . . . 0.0 115.071 -172.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.49 ' HB2' ' HB3' ' B' ' 6' ' ' GLU . 20.4 tptm -63.57 -31.32 72.45 Favored 'General case' 0 C--N 1.292 -1.912 0 CA-C-N 113.266 -1.788 . . . . 0.0 107.43 177.331 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.1 mmm180 -66.0 -27.23 67.97 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.647 175.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 32.0 t -74.47 -33.59 62.92 Favored 'General case' 0 N--CA 1.425 -1.678 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 -179.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.566 ' HB3' ' HG2' ' B' ' 19' ' ' GLN . 2.3 mp -81.21 -30.36 34.28 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 119.66 -0.816 . . . . 0.0 109.486 173.138 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.405 ' HB2' HG21 ' B' ' 22' ' ' ILE . . . -56.02 -40.03 72.8 Favored 'General case' 0 N--CA 1.483 1.205 0 CA-C-N 115.243 -0.89 . . . . 0.0 112.279 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.0 ptp180 -77.65 8.9 3.85 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.946 -0.57 . . . . 0.0 112.122 -178.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -130.02 -66.19 0.79 Allowed 'General case' 0 CA--C 1.505 -0.756 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.453 176.076 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 77.6 m 64.53 -74.05 0.05 Allowed 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.287 1.035 . . . . 0.0 113.142 -177.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.265 0 O-C-N 121.759 -0.588 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 . . . . . 0 N--CA 1.477 0.88 0 N-CA-C 111.614 0.228 . . . . 0.0 111.614 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 24.8 m -60.29 -24.2 64.77 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 -175.338 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' TRP . . . . . 0.453 ' CZ3' ' HG2' ' B' ' 4' ' ' MET . 38.6 p-90 -75.07 -13.3 60.47 Favored 'General case' 0 C--N 1.273 -2.725 0 CA-C-N 114.624 -1.171 . . . . 0.0 111.805 179.006 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . 0.716 ' HB3' ' HB3' ' A' ' 18' ' ' ARG . 69.0 mtm -75.46 -24.46 56.98 Favored 'General case' 0 C--O 1.248 0.991 0 CA-C-O 120.733 0.301 . . . . 0.0 111.269 -178.158 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -85.17 76.39 10.2 Favored 'General case' 0 N--CA 1.427 -1.583 0 CA-C-O 122.781 1.276 . . . . 0.0 110.266 178.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.65 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 32.2 tt0 -144.57 158.61 43.69 Favored 'General case' 0 N--CA 1.417 -2.11 0 N-CA-C 103.913 -2.625 . . . . 0.0 103.913 -179.427 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 4.4 p -150.91 121.32 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.275 -2.667 0 O-C-N 123.743 0.652 . . . . 0.0 109.752 -178.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 27.7 pt -138.14 172.62 13.87 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.344 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.531 -178.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -118.29 137.75 52.85 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 179.068 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.78 ' HG ' HD23 ' B' ' 15' ' ' LEU . 0.2 OUTLIER -164.2 168.47 18.86 Favored 'General case' 0 C--N 1.306 -1.3 0 C-N-CA 123.683 0.793 . . . . 0.0 109.148 -174.685 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' CYS . . . . . 0.485 ' CA ' ' HG ' ' B' ' 15' ' ' LEU . 60.2 m -158.81 162.14 37.0 Favored 'General case' 0 C--N 1.296 -1.756 0 N-CA-C 107.516 -1.29 . . . . 0.0 107.516 -175.199 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 48.1 -130.16 18.59 Favored Glycine 0 N--CA 1.469 0.87 0 N-CA-C 114.747 0.659 . . . . 0.0 114.747 175.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.538 ' O ' ' HG3' ' B' ' 17' ' ' ARG . 24.3 tpt180 -63.85 -28.34 69.78 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 115.077 -0.562 . . . . 0.0 111.005 179.463 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . 0.479 ' O ' HD12 ' B' ' 10' ' ' LEU . 59.6 mm-40 -63.0 -37.24 86.37 Favored 'General case' 0 CA--C 1.512 -0.481 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 176.383 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.78 HD23 ' HG ' ' B' ' 10' ' ' LEU . 27.3 mt -62.04 -42.59 99.34 Favored 'General case' 0 C--N 1.349 0.584 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 178.493 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 31.4 t -70.24 -28.79 36.9 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.911 0 CA-C-N 113.883 -1.508 . . . . 0.0 110.252 -177.186 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . 0.538 ' HG3' ' O ' ' B' ' 13' ' ' ARG . 76.5 mtp180 -62.77 -49.14 76.17 Favored 'General case' 0 N--CA 1.438 -1.07 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.523 177.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . 0.464 ' O ' HG12 ' B' ' 22' ' ' ILE . . . -73.16 -39.46 65.63 Favored 'General case' 0 C--N 1.302 -1.464 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.917 179.099 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . 0.469 ' CG ' ' HB3' ' A' ' 20' ' ' LEU . 48.5 mt-30 -58.18 -60.68 3.38 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 122.955 0.502 . . . . 0.0 112.122 179.498 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 51.7 mt -63.7 -29.87 48.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.698 -0.228 . . . . 0.0 111.27 -179.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.45 -38.13 88.6 Favored 'General case' 0 C--O 1.204 -1.333 0 N-CA-C 109.811 -0.441 . . . . 0.0 109.811 176.391 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.464 HG12 ' O ' ' B' ' 18' ' ' ALA . 38.2 mm -70.83 -32.54 49.21 Favored 'Isoleucine or valine' 0 C--O 1.239 0.508 0 CA-C-O 121.481 0.658 . . . . 0.0 110.149 176.406 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 86.3 m -74.58 -24.57 58.93 Favored 'General case' 0 C--N 1.308 -1.213 0 CA-C-O 121.556 0.693 . . . . 0.0 110.862 -178.368 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -129.83 54.68 0.78 Allowed Glycine 0 C--N 1.283 -2.412 0 CA-C-N 114.967 -1.015 . . . . 0.0 111.879 178.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' MET . . . . . 0.461 ' HG3' ' O ' ' B' ' 22' ' ' ILE . 3.7 ppp? -111.95 28.02 9.14 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-O 121.298 0.57 . . . . 0.0 110.088 176.128 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 9.9 m -67.63 14.92 0.05 OUTLIER 'General case' 0 CA--C 1.554 1.101 0 C-N-CA 124.811 1.244 . . . . 0.0 114.156 -173.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 6.6 m -82.16 -15.77 52.12 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 106.963 -1.495 . . . . 0.0 106.963 173.014 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' TRP . . . . . . . . . . . . . 71.2 t-105 -136.94 162.31 33.64 Favored 'General case' 0 C--N 1.292 -1.91 0 CA-C-N 113.328 -1.76 . . . . 0.0 106.599 176.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 16.0 m -81.41 104.39 11.82 Favored 'General case' 0 C--N 1.302 -1.484 0 CA-C-O 120.868 0.366 . . . . 0.0 110.456 -179.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.31 -1.115 0 CA-C-N 116.655 -0.248 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.01 0 CA-C-O 121.104 0.478 . . . . 0.0 110.813 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.429 ' O ' ' HB2' ' A' ' 6' ' ' LEU . 2.5 pt? -66.53 -32.74 74.28 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 115.876 -0.602 . . . . 0.0 112.191 -177.56 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.511 ' CE2' ' HA ' ' A' ' 23' ' ' PHE . 34.1 m-85 -71.21 -51.15 26.33 Favored 'General case' 0 CA--C 1.509 -0.613 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 -179.031 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 11.7 m -60.02 -38.25 82.13 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.515 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -74.84 -29.35 61.02 Favored 'General case' 0 C--O 1.203 -1.383 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.132 179.112 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.49 HD11 ' O ' ' A' ' 19' ' ' SER . 7.2 tt -60.17 -53.45 57.55 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 -179.16 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.09 -43.69 78.3 Favored 'General case' 0 C--O 1.244 0.788 0 CA-C-O 121.381 0.61 . . . . 0.0 110.86 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -69.58 -40.97 76.41 Favored 'General case' 0 C--O 1.206 -1.204 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.082 -179.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -58.24 -47.78 82.46 Favored 'General case' 0 C--N 1.308 -1.197 0 C-N-CA 123.683 0.793 . . . . 0.0 110.225 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.448 ' HB3' HD23 ' B' ' 10' ' ' LEU . 24.0 m -65.61 -30.83 71.6 Favored 'General case' 0 C--N 1.311 -1.088 0 O-C-N 123.654 0.596 . . . . 0.0 110.409 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.9 t -81.91 -34.71 29.78 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-O 121.014 0.435 . . . . 0.0 110.969 -178.241 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 11.3 m170 -77.16 -52.98 8.34 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-O 120.98 0.419 . . . . 0.0 111.609 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 17.5 m -125.74 -48.07 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.538 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.162 -175.249 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 139.74 170.68 12.03 Favored Glycine 0 C--N 1.291 -1.94 0 N-CA-C 109.534 -1.427 . . . . 0.0 109.534 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.5 p -149.86 164.75 34.52 Favored 'General case' 0 C--N 1.292 -1.902 0 CA-C-N 117.249 0.525 . . . . 0.0 109.827 -177.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.484 ' O ' ' HB3' ' A' ' 19' ' ' SER . 63.2 p -80.66 149.62 29.73 Favored 'General case' 0 N--CA 1.406 -2.641 0 CA-C-O 121.23 0.538 . . . . 0.0 110.073 179.569 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.65 ' HB2' ' HB3' ' B' ' 6' ' ' GLU . 12.7 tptm -63.53 -29.32 70.6 Favored 'General case' 0 C--N 1.288 -2.105 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.275 -176.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.716 ' HB3' ' HB3' ' B' ' 4' ' ' MET . 26.4 ptt180 -62.15 -36.37 81.62 Favored 'General case' 0 N--CA 1.487 1.4 0 CA-C-O 121.898 0.856 . . . . 0.0 110.661 173.754 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.49 ' O ' HD11 ' A' ' 6' ' ' LEU . 27.6 t -63.29 -54.18 41.2 Favored 'General case' 0 C--N 1.28 -2.432 0 CA-C-N 114.158 -1.383 . . . . 0.0 109.12 -179.132 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.563 ' H ' HD12 ' A' ' 20' ' ' LEU . 0.6 OUTLIER -70.11 -20.68 63.17 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 119.626 -0.83 . . . . 0.0 110.151 178.816 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.44 ' HA ' HG21 ' B' ' 22' ' ' ILE . . . -64.1 -35.07 79.57 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.452 0.644 . . . . 0.0 110.382 177.673 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.514 ' HG3' ' O ' ' A' ' 18' ' ' ARG . 95.4 mtt180 -84.75 -19.17 33.06 Favored 'General case' 0 CA--C 1.502 -0.883 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.019 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.511 ' HA ' ' CE2' ' A' ' 3' ' ' TYR . 14.0 t80 -73.88 -63.73 1.15 Allowed 'General case' 0 C--N 1.312 -1.03 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 178.071 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 31.2 t 65.68 -85.31 0.03 OUTLIER 'General case' 0 C--N 1.309 -1.171 0 CA-C-N 113.173 -1.83 . . . . 0.0 111.612 178.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.594 0 O-C-N 121.519 -0.738 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 . . . . . 0 N--CA 1.472 0.629 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . 0.556 ' O ' ' HG2' ' B' ' 6' ' ' GLU . 5.9 m -73.8 117.41 15.55 Favored 'General case' 0 CA--C 1.503 -0.85 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 178.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' TRP . . . . . . . . . . . . . 82.0 m95 -60.48 -32.28 71.26 Favored 'General case' 0 C--N 1.282 -2.329 0 CA-C-N 114.91 -1.041 . . . . 0.0 112.934 -169.157 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 3.6 mpp? -64.88 -30.89 71.91 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.032 0.444 . . . . 0.0 110.879 179.348 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -111.03 9.53 22.1 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.8 -175.465 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.556 ' HG2' ' O ' ' B' ' 2' ' ' SER . 35.8 mm-40 -77.7 112.03 14.1 Favored 'General case' 0 N--CA 1.425 -1.701 0 CA-C-O 121.756 0.789 . . . . 0.0 111.405 179.269 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . 0.506 ' HA ' ' HA ' ' A' ' 16' ' ' THR . 5.9 p -145.46 133.13 15.94 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.75 0 CA-C-N 114.041 -1.436 . . . . 0.0 107.852 178.548 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.431 ' HB ' HD13 ' B' ' 10' ' ' LEU . 0.2 OUTLIER -141.61 159.22 21.69 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.582 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 -179.189 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -123.82 79.22 1.69 Allowed 'General case' 0 C--N 1.287 -2.142 0 CA-C-O 122.163 0.982 . . . . 0.0 110.314 176.127 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.431 HD13 ' HB ' ' B' ' 8' ' ' ILE . 8.7 mp -107.0 174.16 6.01 Favored 'General case' 0 CA--C 1.483 -1.617 0 CA-C-N 114.29 -1.323 . . . . 0.0 109.721 179.677 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 48.6 t -153.98 160.27 41.99 Favored 'General case' 0 C--N 1.28 -2.434 0 C-N-CA 120.342 -0.543 . . . . 0.0 109.898 -174.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 50.94 -121.95 12.54 Favored Glycine 0 C--N 1.302 -1.312 0 O-C-N 124.925 1.391 . . . . 0.0 114.206 179.07 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 80.1 mtm180 -63.8 -39.96 95.49 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-N 114.336 -0.932 . . . . 0.0 111.229 -177.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -66.69 -34.11 77.14 Favored 'General case' 0 CA--C 1.498 -1.022 0 CA-C-O 121.943 0.877 . . . . 0.0 109.599 -176.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.487 ' CD2' ' HA ' ' A' ' 7' ' ' ALA . 20.2 tp -68.17 -39.86 82.43 Favored 'General case' 0 C--N 1.295 -1.799 0 CA-C-N 114.579 -1.192 . . . . 0.0 109.693 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 86.9 t -66.93 -37.98 80.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 175.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 48.4 mtp85 -59.68 -44.28 93.67 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.076 177.217 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.18 -34.99 79.7 Favored 'General case' 0 C--N 1.32 -0.704 0 O-C-N 123.813 0.696 . . . . 0.0 110.531 178.008 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . 0.459 ' O ' HG22 ' B' ' 22' ' ' ILE . 49.3 mt-30 -64.87 -52.14 58.17 Favored 'General case' 0 C--N 1.314 -0.967 0 C-N-CA 123.512 0.725 . . . . 0.0 110.851 176.049 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 70.2 mt -60.92 -33.85 57.26 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.244 0 CA-C-O 121.4 0.619 . . . . 0.0 109.597 175.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.69 -34.46 76.95 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.649 177.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.459 HG22 ' O ' ' B' ' 19' ' ' GLN . 0.2 OUTLIER -82.14 -39.87 16.8 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.248 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 179.573 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 34.3 m -75.87 -24.33 55.71 Favored 'General case' 0 C--N 1.311 -1.105 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 -177.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -87.25 -11.18 69.9 Favored Glycine 0 C--N 1.293 -1.861 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.922 176.194 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 14.7 tpt -133.22 46.9 2.54 Favored 'General case' 0 C--N 1.311 -1.08 0 N-CA-C 106.235 -1.765 . . . . 0.0 106.235 178.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 3.7 p -80.04 69.45 6.42 Favored 'General case' 0 N--CA 1.429 -1.483 0 CA-C-N 114.611 -1.177 . . . . 0.0 113.142 -172.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 17.3 m -77.51 -42.04 37.07 Favored 'General case' 0 C--N 1.298 -1.657 0 CA-C-O 122.651 1.215 . . . . 0.0 108.978 176.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' TRP . . . . . . . . . . . . . 96.6 m95 -139.1 124.64 19.4 Favored 'General case' 0 C--N 1.27 -2.868 0 CA-C-N 113.141 -1.845 . . . . 0.0 109.507 178.127 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 36.3 m -111.7 87.6 2.59 Favored 'General case' 0 C--N 1.299 -1.591 0 CA-C-O 121.01 0.434 . . . . 0.0 109.888 178.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.31 -1.126 0 CA-C-N 116.469 -0.332 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.851 0 CA-C-O 122.424 1.107 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 98.5 mt -60.64 -46.52 90.0 Favored 'General case' 0 C--N 1.296 -1.741 0 CA-C-N 112.893 -1.958 . . . . 0.0 111.519 -178.173 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -79.81 -37.42 35.22 Favored 'General case' 0 N--CA 1.402 -2.864 0 C-N-CA 119.122 -1.031 . . . . 0.0 109.749 -176.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.4 m -57.32 -49.78 75.04 Favored 'General case' 0 N--CA 1.437 -1.086 0 CA-C-N 115.258 -0.883 . . . . 0.0 111.106 179.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.24 -41.78 89.54 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.325 -178.58 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 49.3 tp -63.38 -51.88 64.01 Favored 'General case' 0 CA--C 1.519 -0.238 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 178.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.487 ' HA ' ' CD2' ' B' ' 15' ' ' LEU . . . -54.07 -49.24 69.48 Favored 'General case' 0 CA--C 1.507 -0.684 0 O-C-N 123.9 0.75 . . . . 0.0 110.883 -178.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -61.07 -42.3 98.23 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.997 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -66.89 -48.55 68.39 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.411 -174.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 12.2 m -70.71 -33.4 70.83 Favored 'General case' 0 C--N 1.296 -1.725 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 -179.054 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.5 t -68.61 -33.62 74.36 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 116.145 -0.479 . . . . 0.0 109.72 -178.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -95.16 -61.7 1.43 Allowed 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -179.207 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.8 m -100.13 -50.47 10.57 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.226 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -175.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 131.16 161.39 10.23 Favored Glycine 0 N--CA 1.427 -1.928 0 N-CA-C 110.544 -1.022 . . . . 0.0 110.544 -179.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.0 p -142.45 158.95 43.14 Favored 'General case' 0 C--N 1.281 -2.38 0 CA-C-O 121.116 0.484 . . . . 0.0 109.782 -179.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.583 ' O ' HD12 ' A' ' 20' ' ' LEU . 23.3 p -80.12 150.34 30.28 Favored 'General case' 0 N--CA 1.387 -3.588 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.399 178.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.542 ' HB2' ' HB3' ' B' ' 6' ' ' GLU . 2.7 tppp? -60.59 -33.24 72.44 Favored 'General case' 0 C--N 1.297 -1.697 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 179.302 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 40.1 mtm105 -62.68 -31.38 72.26 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 114.204 -1.362 . . . . 0.0 109.86 176.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.455 ' O ' ' HD2' ' A' ' 23' ' ' PHE . 45.6 t -73.96 -46.17 45.64 Favored 'General case' 0 N--CA 1.428 -1.563 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.433 -179.517 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.583 HD12 ' O ' ' A' ' 16' ' ' THR . 1.4 mp -67.4 -30.01 69.67 Favored 'General case' 0 CA--C 1.489 -1.371 0 C-N-CA 118.995 -1.082 . . . . 0.0 108.688 178.128 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.65 -41.9 91.58 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 123.96 0.787 . . . . 0.0 112.147 178.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 24.5 ptt85 -78.19 -16.53 57.79 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.138 -0.625 . . . . 0.0 111.83 -178.544 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.455 ' HD2' ' O ' ' A' ' 19' ' ' SER . 68.0 m-85 -92.17 -43.04 9.56 Favored 'General case' 0 C--N 1.312 -1.024 0 C-N-CA 120.299 -0.56 . . . . 0.0 110.679 178.272 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 38.0 t -62.49 -72.9 0.12 Allowed 'General case' 0 C--N 1.299 -1.611 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.189 175.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.892 0 O-C-N 121.969 -0.457 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 . . . . . 0 CA--C 1.492 -1.25 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 8.7 m -104.07 142.2 34.88 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 178.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' TRP . . . . . 0.527 ' O ' ' HG3' ' A' ' 18' ' ' ARG . 5.4 m95 -93.06 -49.5 5.98 Favored 'General case' 0 C--N 1.282 -2.35 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.685 179.645 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . 0.431 ' HA ' ' CD ' ' A' ' 18' ' ' ARG . 11.7 tmm? -67.96 -47.31 68.99 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.304 -172.161 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -125.92 85.99 2.47 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 119.328 -0.949 . . . . 0.0 111.349 179.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.591 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 21.0 tt0 -155.11 143.37 20.28 Favored 'General case' 0 C--N 1.283 -2.313 0 N-CA-C 104.131 -2.544 . . . . 0.0 104.131 172.214 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 4.2 p -141.83 128.77 20.09 Favored 'Isoleucine or valine' 0 C--N 1.262 -3.198 0 CA-C-O 121.729 0.776 . . . . 0.0 109.846 -176.115 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.482 ' HB ' HD13 ' B' ' 10' ' ' LEU . 27.8 pt -122.73 167.16 16.63 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.236 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.619 -178.066 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -135.52 76.65 1.63 Allowed 'General case' 0 C--N 1.278 -2.51 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 177.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.482 HD13 ' HB ' ' B' ' 8' ' ' ILE . 9.6 mp -115.33 175.67 5.41 Favored 'General case' 0 CA--C 1.481 -1.693 0 CA-C-N 114.165 -1.379 . . . . 0.0 109.384 -179.251 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 59.3 m -151.77 168.03 26.35 Favored 'General case' 0 C--N 1.284 -2.261 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 -175.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 43.68 -123.01 4.29 Favored Glycine 0 C--O 1.246 0.866 0 O-C-N 124.877 1.36 . . . . 0.0 116.214 171.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.524 ' O ' ' HG3' ' B' ' 17' ' ' ARG . 30.6 mmm180 -70.5 -32.26 69.68 Favored 'General case' 0 C--N 1.298 -1.644 0 CA-C-N 114.181 -1.009 . . . . 0.0 112.063 -177.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . 0.406 ' O ' HD23 ' B' ' 10' ' ' LEU . 46.1 mm-40 -64.67 -34.39 78.18 Favored 'General case' 0 CA--C 1.503 -0.836 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 178.48 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.546 ' O ' ' HG3' ' B' ' 19' ' ' GLN . 11.0 tp -66.9 -41.62 86.83 Favored 'General case' 0 N--CA 1.431 -1.389 0 CA-C-N 114.756 -1.111 . . . . 0.0 108.728 -178.416 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 54.0 t -67.79 -38.24 79.88 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.421 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.421 178.152 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . 0.524 ' HG3' ' O ' ' B' ' 13' ' ' ARG . 81.3 mtp180 -57.57 -42.35 82.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.214 0.53 . . . . 0.0 110.61 176.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . 0.514 ' O ' HG13 ' B' ' 22' ' ' ILE . . . -70.78 -41.26 71.94 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.09 179.438 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . 0.546 ' HG3' ' O ' ' B' ' 15' ' ' LEU . 37.1 mt-30 -56.92 -56.11 25.83 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.801 176.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 78.4 mt -55.93 -35.02 39.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.318 -0.856 . . . . 0.0 111.219 179.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.0 -33.22 75.53 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.059 0.457 . . . . 0.0 110.451 177.143 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.518 HG12 ' CZ3' ' B' ' 3' ' ' TRP . 53.6 mt -76.48 -35.79 27.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 177.115 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' CYS . . . . . 0.447 ' HA ' ' OG ' ' B' ' 26' ' ' SER . 9.5 m -74.17 -23.61 59.27 Favored 'General case' 0 C--O 1.24 0.568 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.144 -179.391 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -78.01 -20.16 73.63 Favored Glycine 0 C--N 1.298 -1.544 0 N-CA-C 111.367 -0.693 . . . . 0.0 111.367 174.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 26.0 mmt -119.24 30.68 7.0 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.348 0.594 . . . . 0.0 110.991 -178.075 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . 0.447 ' OG ' ' HA ' ' B' ' 23' ' ' CYS . 65.5 m -80.82 37.08 0.41 Allowed 'General case' 0 C--N 1.311 -1.089 0 CA-C-O 121.154 0.502 . . . . 0.0 112.031 -178.354 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . 0.427 ' HB ' ' CE3' ' B' ' 28' ' ' TRP . 5.8 m -81.15 -18.01 47.81 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-O 122.705 1.24 . . . . 0.0 109.385 179.687 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' TRP . . . . . 0.427 ' CE3' ' HB ' ' B' ' 27' ' ' THR . 48.8 p90 -141.14 145.42 35.71 Favored 'General case' 0 C--N 1.279 -2.464 0 CA-C-N 113.811 -1.541 . . . . 0.0 108.613 177.647 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 4.9 p -96.73 92.27 6.1 Favored 'General case' 0 C--N 1.292 -1.9 0 CA-C-O 121.168 0.509 . . . . 0.0 110.513 178.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.07 0 CA-C-N 116.466 -0.333 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.816 0 CA-C-O 120.346 0.117 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 81.8 mt -63.9 -35.43 80.61 Favored 'General case' 0 CA--C 1.479 -1.78 0 N-CA-C 112.836 0.68 . . . . 0.0 112.836 -175.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -73.0 -38.35 66.64 Favored 'General case' 0 N--CA 1.409 -2.498 0 C-N-CA 118.223 -1.391 . . . . 0.0 110.553 178.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.4 t -63.9 -39.51 94.34 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 179.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.47 -42.14 95.64 Favored 'General case' 0 C--O 1.24 0.559 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.879 177.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 53.0 tp -61.17 -45.92 92.63 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 177.29 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.466 ' HA ' ' CD2' ' B' ' 15' ' ' LEU . . . -57.48 -45.46 84.81 Favored 'General case' 0 C--O 1.24 0.578 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.553 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 19.6 m120 -64.38 -48.93 73.57 Favored 'General case' 0 CA--C 1.507 -0.688 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.091 177.126 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -59.31 -52.65 64.73 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.712 -173.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 41.7 m -65.39 -30.71 71.55 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-O 120.593 0.235 . . . . 0.0 110.822 -179.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.6 t -79.84 -31.3 40.51 Favored 'General case' 0 N--CA 1.427 -1.598 0 C-N-CA 120.244 -0.582 . . . . 0.0 111.356 -177.067 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 20.5 m-70 -85.97 -51.76 6.15 Favored 'General case' 0 CA--C 1.508 -0.65 0 CA-C-O 121.149 0.499 . . . . 0.0 112.033 -179.453 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.8 m -116.32 -44.99 3.79 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.658 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.893 -176.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 127.41 173.84 13.6 Favored Glycine 0 C--N 1.291 -1.965 0 N-CA-C 110.09 -1.204 . . . . 0.0 110.09 178.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.2 p -151.72 160.94 43.41 Favored 'General case' 0 C--N 1.286 -2.196 0 CA-C-N 116.972 0.386 . . . . 0.0 110.292 -178.214 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.451 ' O ' ' HB3' ' A' ' 19' ' ' SER . 30.2 p -81.44 157.93 24.75 Favored 'General case' 0 N--CA 1.398 -3.031 0 CA-C-O 121.536 0.684 . . . . 0.0 109.472 178.216 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.591 ' HB2' ' HB3' ' B' ' 6' ' ' GLU . 9.7 tptm -65.53 -28.98 69.56 Favored 'General case' 0 C--N 1.271 -2.805 0 N-CA-C 108.482 -0.932 . . . . 0.0 108.482 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.527 ' HG3' ' O ' ' B' ' 3' ' ' TRP . 54.3 mtm180 -61.69 -30.94 71.07 Favored 'General case' 0 N--CA 1.488 1.469 0 CA-C-O 121.278 0.561 . . . . 0.0 111.096 170.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.451 ' HB3' ' O ' ' A' ' 16' ' ' THR . 29.6 t -69.71 -40.93 75.98 Favored 'General case' 0 N--CA 1.426 -1.636 0 CA-C-N 115.393 -0.821 . . . . 0.0 108.796 -177.229 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.489 ' HB3' ' HG2' ' B' ' 19' ' ' GLN . 1.5 mp -77.48 -35.14 53.97 Favored 'General case' 0 C--O 1.199 -1.594 0 C-N-CA 118.781 -1.167 . . . . 0.0 109.289 174.609 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.07 -32.19 67.79 Favored 'General case' 0 N--CA 1.485 1.291 0 N-CA-C 113.245 0.832 . . . . 0.0 113.245 -176.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.405 ' HG2' ' O ' ' A' ' 19' ' ' SER . 18.0 ptp180 -74.97 -18.57 60.36 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.095 0.474 . . . . 0.0 111.507 179.171 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -97.43 -55.12 2.93 Favored 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 175.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 43.0 t -154.32 98.9 2.17 Favored 'General case' 0 C--N 1.289 -2.056 0 CA-C-N 114.188 -1.369 . . . . 0.0 108.388 177.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.309 -1.156 0 CA-C-N 116.499 -0.319 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 . . . . . 0 CA--C 1.49 -1.361 0 CA-C-O 120.812 0.339 . . . . 0.0 110.305 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . 0.409 ' O ' ' HB2' ' B' ' 6' ' ' GLU . 2.3 m -89.82 119.78 30.5 Favored 'General case' 0 N--CA 1.423 -1.823 0 N-CA-C 104.569 -2.382 . . . . 0.0 104.569 171.364 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' TRP . . . . . . . . . . . . . 64.4 m95 -93.07 -26.56 17.42 Favored 'General case' 0 C--N 1.262 -3.208 0 N-CA-C 113.259 0.837 . . . . 0.0 113.259 -172.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 73.1 mtm -81.91 -45.25 15.7 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 120.094 -0.642 . . . . 0.0 110.388 179.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -135.87 109.34 7.92 Favored 'General case' 0 C--N 1.305 -1.331 0 C-N-CA 120.749 -0.381 . . . . 0.0 111.051 178.202 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.606 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 23.8 tt0 -156.45 148.87 23.48 Favored 'General case' 0 C--N 1.315 -0.934 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 174.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 9.7 p -142.84 138.97 27.97 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.221 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -178.227 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.415 HD12 ' CD ' ' A' ' 17' ' ' LYS . 0.2 OUTLIER -141.19 169.11 15.17 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.201 0 N-CA-C 108.525 -0.916 . . . . 0.0 108.525 -179.014 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -125.93 86.06 2.48 Favored 'General case' 0 C--N 1.308 -1.233 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 177.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 8.8 mp -120.01 173.06 7.3 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.016 -177.383 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 16.7 m -149.85 160.57 43.47 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 -179.102 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 45.43 -120.66 4.29 Favored Glycine 0 CA--C 1.505 -0.557 0 N-CA-C 116.15 1.22 . . . . 0.0 116.15 172.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -58.23 -35.08 71.16 Favored 'General case' 0 C--N 1.31 -1.111 0 C-N-CA 124.712 1.205 . . . . 0.0 111.204 -178.22 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -68.23 -36.62 79.78 Favored 'General case' 0 N--CA 1.44 -0.958 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 -179.44 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 96.3 mt -62.53 -41.3 98.78 Favored 'General case' 0 C--O 1.215 -0.72 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.856 176.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 59.0 t -66.39 -43.41 91.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 179.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 82.9 mtt180 -57.01 -43.44 81.79 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.632 176.183 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . 0.573 ' O ' HG13 ' B' ' 22' ' ' ILE . . . -67.01 -46.23 75.13 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.605 178.516 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . 0.414 ' HG2' ' HB3' ' A' ' 20' ' ' LEU . 84.5 mt-30 -56.42 -55.79 29.27 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 124.222 1.009 . . . . 0.0 111.259 177.602 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 47.1 mm -59.46 -34.42 54.49 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.036 178.296 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.95 -39.13 93.72 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-O 120.929 0.395 . . . . 0.0 110.261 177.355 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.573 HG13 ' O ' ' B' ' 18' ' ' ALA . 68.1 mt -69.89 -37.51 73.21 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.945 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.828 179.693 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 9.1 m -74.82 -22.97 58.41 Favored 'General case' 0 C--N 1.308 -1.196 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 179.463 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.77 -39.33 10.57 Favored Glycine 0 C--N 1.294 -1.76 0 C-N-CA 120.61 -0.805 . . . . 0.0 111.154 174.102 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 86.4 mtp -125.46 72.24 1.25 Allowed 'General case' 0 C--N 1.315 -0.927 0 CA-C-O 121.754 0.788 . . . . 0.0 109.037 -176.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 11.8 m -81.66 8.78 9.03 Favored 'General case' 0 C--N 1.301 -1.541 0 CA-C-N 114.914 -1.039 . . . . 0.0 111.471 179.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 19.4 p -139.01 140.4 38.14 Favored 'General case' 0 N--CA 1.404 -2.769 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 -176.023 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' TRP . . . . . . . . . . . . . 58.2 t90 -66.72 121.93 16.52 Favored 'General case' 0 C--N 1.29 -1.988 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.711 -177.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 21.3 m -102.05 -76.09 0.58 Allowed 'General case' 0 C--N 1.305 -1.363 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.378 179.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.799 0 O-C-N 122.125 -0.36 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.1 0 CA-C-O 120.347 0.117 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 94.5 mt -64.83 -32.7 74.52 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 122.431 0.292 . . . . 0.0 111.379 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.437 ' CE1' ' HB3' ' A' ' 23' ' ' PHE . 26.5 m-85 -57.5 -47.88 80.75 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-O 120.903 0.382 . . . . 0.0 111.085 174.178 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 17.2 t -71.16 -33.38 69.98 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.133 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.13 -49.86 75.54 Favored 'General case' 0 C--O 1.221 -0.405 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 177.177 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.7 tp -57.68 -47.33 82.63 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.067 176.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.02 -53.3 59.8 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.5 -179.411 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -63.89 -43.97 94.41 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.315 -179.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -56.75 -50.22 72.89 Favored 'General case' 0 CA--C 1.488 -1.44 0 O-C-N 123.15 0.281 . . . . 0.0 111.532 178.16 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.482 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 4.2 t -68.62 -31.15 70.1 Favored 'General case' 0 C--N 1.296 -1.757 0 O-C-N 123.547 0.529 . . . . 0.0 110.269 -175.394 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 8.5 t -77.21 -32.6 56.04 Favored 'General case' 0 N--CA 1.424 -1.748 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.231 -177.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 35.9 m-70 -91.24 -53.75 4.22 Favored 'General case' 0 CA--C 1.515 -0.404 0 N-CA-C 113.175 0.805 . . . . 0.0 113.175 -178.517 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.9 m -111.4 -45.51 5.72 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.617 0 CA-C-O 121.507 0.67 . . . . 0.0 111.866 -176.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.482 ' C ' ' HA ' ' A' ' 10' ' ' CYS . . . 139.26 164.73 10.0 Favored Glycine 0 C--N 1.284 -2.334 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.686 177.544 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.499 ' SG ' HD11 ' A' ' 20' ' ' LEU . 28.9 p -134.15 163.19 30.15 Favored 'General case' 0 C--N 1.29 -1.982 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 -179.384 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.52 ' O ' HD12 ' A' ' 20' ' ' LEU . 12.4 p -97.83 145.28 26.56 Favored 'General case' 0 N--CA 1.409 -2.479 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.656 179.691 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.606 ' HB2' ' HB3' ' B' ' 6' ' ' GLU . 1.2 tptm -59.26 -35.85 74.45 Favored 'General case' 0 C--N 1.297 -1.694 0 CA-C-N 115.578 -0.737 . . . . 0.0 112.083 -175.516 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 43.8 mtp180 -67.43 -26.51 66.45 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 121.485 0.66 . . . . 0.0 110.054 176.44 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.2 t -73.87 -33.44 64.06 Favored 'General case' 0 N--CA 1.424 -1.748 0 CA-C-N 115.569 -0.742 . . . . 0.0 109.373 -177.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.52 HD12 ' O ' ' A' ' 16' ' ' THR . 1.5 mp -79.3 -31.02 43.14 Favored 'General case' 0 CA--C 1.504 -0.806 0 C-N-CA 118.392 -1.323 . . . . 0.0 108.517 173.573 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.68 -36.63 76.86 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.243 -0.889 . . . . 0.0 112.612 -179.007 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 35.3 ptt180 -72.96 -19.48 61.22 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -179.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.437 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 92.9 m-85 -104.14 -65.69 1.01 Allowed 'General case' 0 C--N 1.315 -0.93 0 CA-C-O 120.969 0.414 . . . . 0.0 110.573 179.269 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 41.8 t 58.91 -90.12 0.03 OUTLIER 'General case' 0 C--N 1.309 -1.157 0 C-N-CA 125.258 1.423 . . . . 0.0 111.761 -177.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.313 -0.998 0 O-C-N 121.751 -0.593 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . 0.508 ' HA ' ' OE2' ' B' ' 6' ' ' GLU . 5.3 p-10 . . . . . 0 CA--C 1.506 -0.746 0 CA-C-O 121.117 0.484 . . . . 0.0 110.416 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 13.5 m -136.41 137.33 40.39 Favored 'General case' 0 C--N 1.295 -1.799 0 N-CA-C 104.781 -2.303 . . . . 0.0 104.781 170.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' TRP . . . . . 0.515 ' O ' ' HG3' ' A' ' 18' ' ' ARG . 10.3 m95 -92.98 -47.13 7.15 Favored 'General case' 0 C--N 1.276 -2.602 0 C-N-CA 119.334 -0.947 . . . . 0.0 112.694 -176.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 97.4 mmm -66.01 -46.98 75.99 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 -173.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -135.92 85.84 2.19 Favored 'General case' 0 N--CA 1.43 -1.43 0 C-N-CA 119.592 -0.843 . . . . 0.0 111.819 176.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.508 ' OE2' ' HA ' ' B' ' 1' ' ' ASP . 30.5 tt0 -129.41 146.55 51.25 Favored 'General case' 0 C--N 1.292 -1.906 0 N-CA-C 104.404 -2.443 . . . . 0.0 104.404 171.762 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 5.9 p -144.43 139.38 23.96 Favored 'Isoleucine or valine' 0 C--N 1.26 -3.302 0 O-C-N 123.806 0.692 . . . . 0.0 109.651 -173.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.419 ' HB ' HD13 ' B' ' 10' ' ' LEU . 31.0 pt -134.21 169.65 21.24 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.144 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 -179.267 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -140.16 70.61 1.36 Allowed 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 107.721 -1.214 . . . . 0.0 107.721 176.417 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.517 ' O ' HD13 ' B' ' 15' ' ' LEU . 9.4 mp -107.4 176.02 5.3 Favored 'General case' 0 C--N 1.293 -1.851 0 CA-C-N 114.628 -1.169 . . . . 0.0 109.562 179.594 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 83.4 m -154.49 166.27 33.81 Favored 'General case' 0 C--N 1.286 -2.152 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 -176.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 53.16 -128.89 38.92 Favored Glycine 0 CA--C 1.495 -1.186 0 O-C-N 124.227 0.955 . . . . 0.0 114.299 174.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.618 ' O ' ' HG3' ' B' ' 17' ' ' ARG . 41.0 mmt180 -71.41 -28.0 63.7 Favored 'General case' 0 C--N 1.3 -1.564 0 CA-C-N 114.685 -0.758 . . . . 0.0 111.499 -177.457 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -75.23 -28.71 60.0 Favored 'General case' 0 CA--C 1.498 -1.057 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 -178.477 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.517 HD13 ' O ' ' B' ' 10' ' ' LEU . 18.1 tp -67.12 -41.13 86.73 Favored 'General case' 0 N--CA 1.431 -1.415 0 CA-C-N 114.965 -1.016 . . . . 0.0 108.269 177.606 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . 0.465 ' O ' HG13 ' B' ' 20' ' ' ILE . 44.7 t -68.9 -36.66 75.13 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.989 0 CA-C-N 115.048 -0.978 . . . . 0.0 109.693 178.753 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . 0.618 ' HG3' ' O ' ' B' ' 13' ' ' ARG . 91.1 mtt-85 -55.57 -46.26 77.23 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-O 121.253 0.549 . . . . 0.0 110.837 176.449 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.82 -39.91 79.77 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.59 178.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . 0.471 ' HG2' ' HB3' ' A' ' 20' ' ' LEU . 42.5 mt-30 -59.71 -55.25 36.69 Favored 'General case' 0 C--O 1.206 -1.197 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.32 177.244 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . 0.465 HG13 ' O ' ' B' ' 16' ' ' VAL . 81.0 mt -50.97 -44.36 27.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 123.833 0.853 . . . . 0.0 110.689 179.635 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.25 -44.38 95.3 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.818 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.451 HD12 ' HB2' ' A' ' 21' ' ' ALA . 0.4 OUTLIER -78.79 -24.72 13.18 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.858 0 CA-C-O 122.106 0.955 . . . . 0.0 109.957 -178.188 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 2.5 t -75.55 -22.31 57.15 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -98.78 7.95 61.3 Favored Glycine 0 N--CA 1.435 -1.38 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 174.267 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' MET . . . . . 0.548 ' SD ' ' HB2' ' B' ' 29' ' ' SER . 22.0 mmt -129.08 71.44 1.43 Allowed 'General case' 0 CA--C 1.493 -1.233 0 CA-C-O 121.972 0.891 . . . . 0.0 109.714 179.73 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 23.5 m -96.47 17.37 16.29 Favored 'General case' 0 C--N 1.285 -2.227 0 CA-C-N 114.511 -1.222 . . . . 0.0 109.533 178.065 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 15.6 p -127.17 -178.76 4.55 Favored 'General case' 0 N--CA 1.398 -3.055 0 N-CA-C 107.121 -1.437 . . . . 0.0 107.121 178.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' TRP . . . . . . . . . . . . . 44.5 t90 -93.78 69.23 4.0 Favored 'General case' 0 C--N 1.275 -2.671 0 CA-C-O 121.918 0.866 . . . . 0.0 109.984 -178.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.548 ' HB2' ' SD ' ' B' ' 25' ' ' MET . 26.3 m -125.8 76.52 1.59 Allowed 'General case' 0 C--N 1.307 -1.254 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.571 177.789 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.309 -1.169 0 CA-C-N 116.081 -0.509 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.717 0 CA-C-O 122.418 1.104 . . . . 0.0 109.938 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 90.9 mt -78.02 -38.08 45.56 Favored 'General case' 0 C--N 1.289 -2.057 0 CA-C-N 113.666 -1.606 . . . . 0.0 111.032 -176.082 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.492 ' CE1' ' HB3' ' A' ' 23' ' ' PHE . 57.1 m-85 -69.4 -43.17 74.02 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-O 120.95 0.405 . . . . 0.0 110.229 176.727 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 18.7 m -59.39 -36.16 75.28 Favored 'General case' 0 C--N 1.303 -1.455 0 CA-C-N 115.118 -0.947 . . . . 0.0 110.577 175.108 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.17 -43.56 81.92 Favored 'General case' 0 CA--C 1.519 -0.23 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 176.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.441 HD21 ' HA ' ' A' ' 20' ' ' LEU . 50.0 tp -57.51 -50.34 73.38 Favored 'General case' 0 CA--C 1.528 0.104 0 CA-C-N 115.595 -0.729 . . . . 0.0 109.749 177.61 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.71 -48.06 75.8 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.351 179.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -58.63 -43.43 89.71 Favored 'General case' 0 C--O 1.215 -0.756 0 CA-C-N 114.893 -1.049 . . . . 0.0 111.147 178.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.8 mmtm -65.82 -52.33 51.53 Favored 'General case' 0 C--N 1.313 -1.021 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 179.103 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 34.1 m -64.85 -35.66 81.85 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 123.198 0.311 . . . . 0.0 111.289 -177.182 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.5 t -78.86 -30.14 44.94 Favored 'General case' 0 N--CA 1.432 -1.351 0 C-N-CA 120.335 -0.546 . . . . 0.0 110.472 -176.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 15.3 m170 -81.83 -56.94 3.66 Favored 'General case' 0 CA--C 1.503 -0.856 0 C-N-CA 120.455 -0.498 . . . . 0.0 111.809 179.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.3 m -118.59 -42.07 2.49 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.511 0 CA-C-O 121.711 0.767 . . . . 0.0 111.981 -174.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 133.08 176.37 14.37 Favored Glycine 0 N--CA 1.416 -2.692 0 N-CA-C 109.912 -1.275 . . . . 0.0 109.912 178.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.3 p -153.58 160.98 42.6 Favored 'General case' 0 C--N 1.284 -2.254 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 -179.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.447 ' O ' HD22 ' A' ' 20' ' ' LEU . 45.1 p -80.91 156.87 25.82 Favored 'General case' 0 N--CA 1.399 -3.022 0 CA-C-O 121.953 0.882 . . . . 0.0 109.932 178.217 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.417 ' HD3' HD23 ' A' ' 20' ' ' LEU . 1.5 tppp? -66.1 -32.02 73.23 Favored 'General case' 0 C--N 1.272 -2.789 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.178 179.457 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.515 ' HG3' ' O ' ' B' ' 3' ' ' TRP . 47.3 mtm105 -70.6 -20.59 62.75 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.701 172.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.1 t -72.92 -38.27 66.91 Favored 'General case' 0 N--CA 1.439 -1.002 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.471 ' HB3' ' HG2' ' B' ' 19' ' ' GLN . 0.7 OUTLIER -72.04 -44.17 63.78 Favored 'General case' 0 CA--C 1.489 -1.376 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 173.396 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.501 ' HB3' ' HA ' ' A' ' 18' ' ' ARG . . . -51.97 -33.97 40.26 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 114.285 1.217 . . . . 0.0 114.285 -177.377 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.4 ptt180 -77.93 -6.15 53.45 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 112.419 0.525 . . . . 0.0 112.419 -178.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.492 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 95.3 m-85 -114.57 -58.99 2.08 Favored 'General case' 0 C--N 1.307 -1.274 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 175.118 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 51.9 t -165.97 93.61 0.54 Allowed 'General case' 0 C--N 1.291 -1.973 0 N-CA-C 107.402 -1.333 . . . . 0.0 107.402 177.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.299 -1.61 0 CA-C-N 115.667 -0.697 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 . . . . . 0 N--CA 1.475 0.793 0 CA-C-O 120.839 0.352 . . . . 0.0 111.279 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 20.0 m -70.38 151.95 44.64 Favored 'General case' 0 C--N 1.293 -1.865 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 178.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' TRP . . . . . . . . . . . . . 22.9 m95 -92.01 -49.48 6.19 Favored 'General case' 0 C--N 1.298 -1.644 0 C-N-CA 120.274 -0.57 . . . . 0.0 112.225 -179.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 74.1 mtm -60.23 -46.9 88.18 Favored 'General case' 0 CA--C 1.514 -0.433 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -174.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -136.34 121.03 18.42 Favored 'General case' 0 N--CA 1.426 -1.643 0 C-N-CA 120.54 -0.464 . . . . 0.0 109.765 175.317 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.557 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 6.4 tp10 -166.92 150.89 6.9 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 106.924 -1.51 . . . . 0.0 106.924 176.575 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.4 p -151.58 132.95 4.92 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.643 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.136 -178.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -135.65 161.61 38.45 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.525 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 179.715 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 14.7 ptmm? -122.22 83.36 2.09 Favored 'General case' 0 C--N 1.31 -1.152 0 CA-C-O 122.3 1.048 . . . . 0.0 111.279 177.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.401 HD23 ' HB3' ' B' ' 14' ' ' GLU . 8.6 mp -107.8 175.56 5.44 Favored 'General case' 0 C--N 1.296 -1.754 0 CA-C-N 114.741 -1.118 . . . . 0.0 110.059 -178.696 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 29.1 m -147.37 164.58 32.85 Favored 'General case' 0 C--N 1.293 -1.856 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 -179.099 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 48.0 -125.66 12.66 Favored Glycine 0 C--O 1.259 1.678 0 N-CA-C 116.084 1.193 . . . . 0.0 116.084 173.308 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 21.9 mmt180 -71.71 -18.96 62.12 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-N 114.123 -1.038 . . . . 0.0 112.74 -177.178 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . 0.401 ' HB3' HD23 ' B' ' 10' ' ' LEU . 62.8 mm-40 -70.68 -34.62 72.17 Favored 'General case' 0 N--CA 1.444 -0.771 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 176.392 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 80.9 mt -63.94 -41.86 97.5 Favored 'General case' 0 CA--C 1.503 -0.843 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.977 175.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 49.0 t -66.56 -44.26 90.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 179.264 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -58.68 -38.86 79.13 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.188 177.263 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . 0.632 ' O ' HG13 ' B' ' 22' ' ' ILE . . . -66.2 -55.15 17.66 Favored 'General case' 0 C--N 1.307 -1.27 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.622 176.194 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . 0.485 ' CG ' ' HB3' ' A' ' 20' ' ' LEU . 56.4 mt-30 -50.05 -56.27 11.46 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.065 1.346 . . . . 0.0 112.621 -179.625 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 51.8 mm -61.07 -39.05 80.99 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.013 -179.27 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.34 -29.73 67.61 Favored 'General case' 0 C--O 1.22 -0.483 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.157 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.632 HG13 ' O ' ' B' ' 18' ' ' ALA . 79.3 mt -64.98 -46.37 91.81 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.578 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 177.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 59.0 m -73.86 -23.38 59.6 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 121.765 0.793 . . . . 0.0 111.02 -178.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.06 -39.0 59.37 Favored Glycine 0 C--N 1.291 -1.946 0 CA-C-N 115.035 -0.984 . . . . 0.0 111.237 173.39 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 72.4 mtm -99.4 24.34 8.2 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 112.818 0.673 . . . . 0.0 112.818 -176.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 68.9 m -85.51 33.93 0.57 Allowed 'General case' 0 C--N 1.294 -1.83 0 CA-C-O 121.798 0.809 . . . . 0.0 110.029 177.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . 0.47 ' HB ' ' CE3' ' B' ' 28' ' ' TRP . 7.9 m -76.5 -15.96 59.76 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-O 122.635 1.207 . . . . 0.0 108.875 178.8 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' TRP . . . . . 0.47 ' CE3' ' HB ' ' B' ' 27' ' ' THR . 44.2 p90 -142.75 148.75 37.75 Favored 'General case' 0 C--N 1.283 -2.322 0 CA-C-N 113.461 -1.7 . . . . 0.0 106.825 175.529 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 21.3 m -112.79 93.23 4.32 Favored 'General case' 0 C--N 1.297 -1.709 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 -177.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.287 0 CA-C-N 116.582 -0.281 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.661 0 CA-C-O 122.299 1.047 . . . . 0.0 109.29 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.528 ' HG ' ' CE2' ' A' ' 23' ' ' PHE . 57.7 tp -58.42 -52.48 65.43 Favored 'General case' 0 C--N 1.301 -1.51 0 CA-C-N 112.721 -2.036 . . . . 0.0 111.736 -175.625 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -67.97 -46.8 70.37 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.146 -177.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 17.5 m -57.73 -33.35 68.35 Favored 'General case' 0 C--N 1.298 -1.632 0 CA-C-N 114.831 -1.077 . . . . 0.0 111.737 177.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.1 -43.92 77.37 Favored 'General case' 0 C--O 1.24 0.604 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 177.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 65.8 tp -61.84 -40.3 94.84 Favored 'General case' 0 CA--C 1.518 -0.261 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 176.446 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.42 -52.26 66.09 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 115.188 -0.914 . . . . 0.0 110.983 178.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -60.04 -49.06 79.15 Favored 'General case' 0 C--O 1.218 -0.586 0 O-C-N 123.322 0.389 . . . . 0.0 110.931 179.512 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 44.8 tttp -60.01 -44.96 94.22 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.29 -177.009 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.542 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 10.0 t -71.36 -32.77 68.9 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.196 -178.764 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.7 t -74.67 -30.53 61.62 Favored 'General case' 0 N--CA 1.427 -1.576 0 CA-C-N 116.3 -0.409 . . . . 0.0 109.979 -178.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 21.5 m-70 -83.28 -57.97 3.04 Favored 'General case' 0 CA--C 1.514 -0.417 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 178.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.0 m -112.32 -51.75 5.67 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.434 0 CA-C-O 121.337 0.589 . . . . 0.0 111.561 -176.62 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.542 ' C ' ' HA ' ' A' ' 10' ' ' CYS . . . 150.54 174.28 21.48 Favored Glycine 0 N--CA 1.418 -2.513 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 178.397 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.479 ' SG ' HD11 ' A' ' 20' ' ' LEU . 14.2 p -137.37 150.99 48.1 Favored 'General case' 0 C--N 1.283 -2.324 0 CA-C-O 120.895 0.378 . . . . 0.0 110.432 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.604 ' O ' HD12 ' A' ' 20' ' ' LEU . 19.4 p -85.8 144.27 27.83 Favored 'General case' 0 N--CA 1.402 -2.834 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.36 179.665 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.557 ' HB2' ' HB3' ' B' ' 6' ' ' GLU . 39.5 tptt -61.02 -37.84 83.99 Favored 'General case' 0 C--N 1.289 -2.053 0 C-N-CA 123.622 0.769 . . . . 0.0 110.539 -173.487 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 71.7 mtp180 -68.83 -23.54 64.27 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.021 0.439 . . . . 0.0 110.969 177.196 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.0 t -75.04 -43.15 55.21 Favored 'General case' 0 N--CA 1.426 -1.647 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 178.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.604 HD12 ' O ' ' A' ' 16' ' ' THR . 1.6 mp -70.54 -28.29 64.81 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 118.907 -1.117 . . . . 0.0 109.109 176.547 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.523 ' HB2' HG21 ' B' ' 22' ' ' ILE . . . -63.75 -38.81 92.5 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.548 176.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.9 tpm_? -67.15 -30.89 70.99 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 114.876 -1.056 . . . . 0.0 110.276 178.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.528 ' CE2' ' HG ' ' A' ' 2' ' ' LEU . 3.4 m-85 -84.95 -63.97 1.24 Allowed 'General case' 0 C--N 1.296 -1.754 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.498 -178.747 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.6 t 66.34 -72.01 0.09 Allowed 'General case' 0 C--N 1.306 -1.283 0 C-N-CA 124.973 1.309 . . . . 0.0 113.009 177.039 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.906 0 O-C-N 121.587 -0.696 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 N--CA 1.479 0.995 0 N-CA-C 113.552 0.945 . . . . 0.0 113.552 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 73.7 m -61.09 -30.48 70.38 Favored 'General case' 0 N--CA 1.484 1.234 0 CA-C-O 122.267 1.032 . . . . 0.0 112.277 179.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' TRP . . . . . 0.501 ' HE1' ' HB2' ' B' ' 28' ' ' TRP . 29.6 p-90 -91.31 -8.49 48.06 Favored 'General case' 0 C--N 1.266 -3.065 0 CA-C-N 113.586 -1.643 . . . . 0.0 111.503 -179.522 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . 0.522 ' HG2' ' HB3' ' A' ' 18' ' ' ARG . 28.1 ttt -82.75 -17.67 43.42 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 121.501 0.667 . . . . 0.0 110.551 -172.642 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.442 ' OE1' ' HD2' ' A' ' 18' ' ' ARG . 7.7 mm-40 -88.4 15.59 7.6 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 115.063 -0.971 . . . . 0.0 111.136 179.6 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -81.07 157.76 25.29 Favored 'General case' 0 N--CA 1.414 -2.272 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 -177.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . 0.41 ' HA ' ' HA ' ' A' ' 16' ' ' THR . 7.6 p -131.62 138.58 52.61 Favored 'Isoleucine or valine' 0 C--N 1.26 -3.315 0 CA-C-N 114.596 -1.183 . . . . 0.0 107.89 178.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 32.2 pt -137.3 172.43 14.78 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 -178.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -137.13 82.24 1.92 Allowed 'General case' 0 C--N 1.298 -1.66 0 CA-C-O 121.911 0.862 . . . . 0.0 109.163 176.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.575 HD23 ' HB3' ' B' ' 14' ' ' GLU . 9.2 mp -119.24 175.68 5.68 Favored 'General case' 0 C--N 1.305 -1.351 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.931 -178.255 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 35.1 m -147.52 162.51 38.92 Favored 'General case' 0 C--N 1.3 -1.584 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.078 -178.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 47.46 -121.13 6.28 Favored Glycine 0 C--O 1.244 0.781 0 N-CA-C 115.791 1.076 . . . . 0.0 115.791 172.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.519 ' O ' ' HG2' ' B' ' 17' ' ' ARG . 31.5 ttm180 -66.87 -28.94 68.74 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-N 114.014 -1.093 . . . . 0.0 111.576 -176.752 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . 0.575 ' HB3' HD23 ' B' ' 10' ' ' LEU . 7.8 mp0 -71.26 -31.36 67.42 Favored 'General case' 0 CA--C 1.519 -0.242 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 179.588 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 98.2 mt -64.34 -41.1 96.95 Favored 'General case' 0 CA--C 1.502 -0.882 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 174.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . 0.511 ' O ' HG12 ' B' ' 20' ' ' ILE . 45.1 t -64.99 -41.81 93.09 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.775 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.306 178.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . 0.519 ' HG2' ' O ' ' B' ' 13' ' ' ARG . 38.9 mmt180 -53.36 -54.16 40.64 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.449 176.313 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.36 -37.62 84.03 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.695 -179.312 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . 0.657 ' O ' HG22 ' B' ' 22' ' ' ILE . 53.1 mt-30 -66.68 -52.19 47.55 Favored 'General case' 0 C--N 1.313 -1.006 0 C-N-CA 123.964 0.906 . . . . 0.0 111.556 177.569 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . 0.511 HG12 ' O ' ' B' ' 16' ' ' VAL . 46.2 mm -64.27 -37.97 81.29 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.744 0 CA-C-O 121.02 0.438 . . . . 0.0 110.08 179.205 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.76 -33.4 70.75 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.14 179.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.657 HG22 ' O ' ' B' ' 19' ' ' GLN . 7.7 tt -66.1 -38.6 82.36 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.276 0 CA-C-O 121.166 0.508 . . . . 0.0 109.667 -178.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 93.1 m -81.13 -24.18 37.81 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.437 0.637 . . . . 0.0 111.552 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.67 -18.36 66.09 Favored Glycine 0 C--N 1.292 -1.892 0 CA-C-N 115.433 -0.803 . . . . 0.0 112.625 177.236 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 57.7 ttm -136.06 74.66 1.51 Allowed 'General case' 0 N--CA 1.43 -1.452 0 CA-C-O 122.492 1.139 . . . . 0.0 109.774 179.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 49.1 m -108.87 45.61 1.03 Allowed 'General case' 0 C--N 1.278 -2.517 0 CA-C-N 114.049 -1.432 . . . . 0.0 107.516 174.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 18.0 m -60.51 -39.47 87.9 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 114.89 -1.05 . . . . 0.0 111.88 -174.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' TRP . . . . . 0.501 ' HB2' ' HE1' ' B' ' 3' ' ' TRP . 58.4 m95 -104.84 100.28 9.9 Favored 'General case' 0 C--N 1.266 -3.03 0 CA-C-N 114.707 -1.133 . . . . 0.0 109.046 179.394 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 68.6 m -128.86 97.68 4.73 Favored 'General case' 0 C--N 1.302 -1.499 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.882 -179.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.417 0 CA-C-N 116.565 -0.289 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.589 0 CA-C-O 122.057 0.932 . . . . 0.0 110.617 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.4 mp -82.4 -42.02 19.17 Favored 'General case' 0 C--N 1.292 -1.906 0 CA-C-N 113.595 -1.639 . . . . 0.0 109.411 -178.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -73.2 -43.8 60.75 Favored 'General case' 0 C--N 1.302 -1.457 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 46.7 t -54.92 -39.05 68.42 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.832 171.587 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.14 -37.84 84.27 Favored 'General case' 0 C--O 1.212 -0.911 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.004 178.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.622 HD21 HD23 ' A' ' 20' ' ' LEU . 68.3 tp -53.24 -43.26 67.19 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.114 0.565 . . . . 0.0 111.235 179.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.03 -43.64 91.71 Favored 'General case' 0 C--O 1.248 1.004 0 CA-C-O 121.299 0.571 . . . . 0.0 110.952 -178.057 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 65.2 m-20 -73.57 -43.44 59.81 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.197 -178.237 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 41.2 tptt -62.18 -42.26 99.11 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.056 -175.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.549 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 7.2 t -68.71 -35.49 77.22 Favored 'General case' 0 C--N 1.312 -1.033 0 O-C-N 123.537 0.523 . . . . 0.0 110.081 -179.446 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.0 t -74.46 -31.12 62.13 Favored 'General case' 0 N--CA 1.433 -1.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.351 -177.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -83.21 -56.77 3.59 Favored 'General case' 0 CA--C 1.513 -0.451 0 N-CA-C 112.038 0.385 . . . . 0.0 112.038 178.501 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 26.1 m -115.66 -49.21 4.71 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 CA-C-O 121.166 0.508 . . . . 0.0 112.204 -175.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.549 ' C ' ' HA ' ' A' ' 10' ' ' CYS . . . 149.47 172.31 18.92 Favored Glycine 0 C--N 1.289 -2.073 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 177.274 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.645 ' SG ' HD21 ' A' ' 20' ' ' LEU . 26.3 p -142.18 163.12 33.73 Favored 'General case' 0 C--N 1.291 -1.966 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 -177.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.41 ' HA ' ' HA ' ' B' ' 7' ' ' VAL . 23.3 p -99.57 152.12 20.39 Favored 'General case' 0 N--CA 1.406 -2.648 0 CA-C-O 121.609 0.719 . . . . 0.0 111.226 179.437 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.411 ' HG3' HD12 ' B' ' 22' ' ' ILE . 1.6 tppp? -64.06 -41.07 97.49 Favored 'General case' 0 C--N 1.295 -1.763 0 CA-C-N 114.973 -1.012 . . . . 0.0 109.208 -177.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.522 ' HB3' ' HG2' ' B' ' 4' ' ' MET . 13.5 ptm180 -55.63 -35.49 65.96 Favored 'General case' 0 N--CA 1.489 1.507 0 CA-C-O 122.265 1.031 . . . . 0.0 111.891 173.16 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.473 ' O ' ' HG2' ' A' ' 22' ' ' ARG . 12.4 t -73.78 -36.62 65.08 Favored 'General case' 0 C--N 1.276 -2.626 0 CA-C-N 114.258 -1.337 . . . . 0.0 110.296 -177.196 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.645 HD21 ' SG ' ' A' ' 15' ' ' CYS . 6.1 mt -75.99 -28.03 57.66 Favored 'General case' 0 CA--C 1.499 -0.988 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 176.135 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.432 ' HB2' HD13 ' B' ' 22' ' ' ILE . . . -58.14 -41.19 83.17 Favored 'General case' 0 C--N 1.32 -0.681 0 O-C-N 123.871 0.732 . . . . 0.0 111.061 178.492 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.473 ' HG2' ' O ' ' A' ' 19' ' ' SER . 12.5 ptm180 -77.41 2.02 17.28 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-O 121.231 0.539 . . . . 0.0 112.081 -178.572 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -114.02 -68.17 0.94 Allowed 'General case' 0 N--CA 1.442 -0.873 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 176.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 40.9 t 63.86 -75.99 0.04 OUTLIER 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 113.723 -1.581 . . . . 0.0 112.534 178.048 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.102 0 O-C-N 121.547 -0.721 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . 0.421 ' O ' ' HG3' ' B' ' 4' ' ' MET . 11.5 p-10 . . . . . 0 C--O 1.206 -1.189 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 4.9 m -57.62 -18.35 19.6 Favored 'General case' 0 N--CA 1.489 1.477 0 CA-C-O 122.281 1.039 . . . . 0.0 113.055 -179.057 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' TRP . . . . . 0.405 ' CD1' ' HB2' ' B' ' 28' ' ' TRP . 28.6 p-90 -75.58 -8.96 58.09 Favored 'General case' 0 C--N 1.283 -2.32 0 CA-C-N 114.064 -1.425 . . . . 0.0 111.694 179.391 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . 0.518 ' O ' ' HB3' ' A' ' 17' ' ' LYS . 66.5 mtm -63.96 -25.71 68.26 Favored 'General case' 0 CA--C 1.502 -0.891 0 CA-C-O 120.714 0.292 . . . . 0.0 111.647 -177.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -81.01 84.94 6.35 Favored 'General case' 0 N--CA 1.426 -1.663 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 172.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -143.08 160.05 41.12 Favored 'General case' 0 N--CA 1.404 -2.733 0 N-CA-C 106.445 -1.687 . . . . 0.0 106.445 -177.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . 0.441 ' HA ' ' O ' ' A' ' 15' ' ' CYS . 7.2 p -141.15 119.52 9.84 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.654 0 O-C-N 124.455 1.097 . . . . 0.0 108.704 -178.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 17.4 pt -126.19 172.43 13.53 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.169 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.256 -175.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -133.68 91.85 2.9 Favored 'General case' 0 C--N 1.29 -2.019 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.494 HD23 ' HB3' ' B' ' 14' ' ' GLU . 10.8 mp -124.13 175.12 7.21 Favored 'General case' 0 C--N 1.302 -1.479 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.123 -177.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 40.5 m -145.5 157.56 43.98 Favored 'General case' 0 C--N 1.298 -1.642 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.366 -179.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 45.99 -115.98 1.95 Allowed Glycine 0 CA--C 1.502 -0.774 0 N-CA-C 116.418 1.327 . . . . 0.0 116.418 174.063 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 48.0 mtp180 -68.72 -27.57 66.05 Favored 'General case' 0 C--N 1.285 -2.206 0 CA-C-N 113.656 -1.272 . . . . 0.0 111.539 -177.002 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . 0.494 ' HB3' HD23 ' B' ' 10' ' ' LEU . 71.7 mm-40 -70.19 -33.64 71.97 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 176.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 86.3 mt -61.88 -41.03 97.39 Favored 'General case' 0 CA--C 1.504 -0.806 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 175.467 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . 0.426 ' O ' HG12 ' B' ' 20' ' ' ILE . 43.8 t -65.05 -41.12 91.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.316 177.64 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -58.72 -43.0 90.01 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.462 176.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.99 -36.11 79.45 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-O 121.219 0.533 . . . . 0.0 110.613 178.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . 0.63 ' O ' HG22 ' B' ' 22' ' ' ILE . 92.9 mt-30 -64.17 -53.18 53.52 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.192 175.684 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . 0.426 HG12 ' O ' ' B' ' 16' ' ' VAL . 45.3 mm -55.6 -39.27 53.67 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.276 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.908 175.181 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.74 -32.24 73.33 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.658 -0.701 . . . . 0.0 112.196 179.413 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.63 HG22 ' O ' ' B' ' 19' ' ' GLN . 0.2 OUTLIER -83.69 -29.7 7.68 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 -177.56 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 4.0 m -74.74 -22.82 58.59 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-O 121.088 0.471 . . . . 0.0 111.7 178.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -97.53 -98.47 1.99 Allowed Glycine 0 N--CA 1.41 -3.069 0 N-CA-C 107.44 -2.264 . . . . 0.0 107.44 170.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 27.1 ptt? 178.68 31.31 0.0 OUTLIER 'General case' 0 C--N 1.299 -1.588 0 C-N-CA 123.704 0.802 . . . . 0.0 108.966 177.064 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 1.2 m -74.19 3.8 6.63 Favored 'General case' 0 C--N 1.31 -1.15 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 -169.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 41.0 m -88.73 -16.99 30.84 Favored 'General case' 0 C--N 1.293 -1.873 0 CA-C-O 122.826 1.298 . . . . 0.0 107.943 174.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' TRP . . . . . 0.405 ' HB2' ' CD1' ' B' ' 3' ' ' TRP . 86.6 t90 -115.52 135.85 53.67 Favored 'General case' 0 C--N 1.276 -2.609 0 CA-C-N 113.096 -1.866 . . . . 0.0 108.313 -177.234 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 33.2 m -104.61 109.96 22.08 Favored 'General case' 0 C--N 1.294 -1.823 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 179.215 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.313 -1.01 0 CA-C-N 116.559 -0.292 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.825 0 CA-C-O 120.709 0.29 . . . . 0.0 110.658 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -68.86 -29.53 67.87 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.897 -177.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.52 ' O ' ' HB3' ' A' ' 6' ' ' LEU . 29.4 m-85 -69.99 -50.0 45.96 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.806 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.2 m -59.96 -38.12 81.55 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.953 174.102 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.02 -34.93 79.13 Favored 'General case' 0 C--O 1.219 -0.516 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.654 177.339 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.52 ' HB3' ' O ' ' A' ' 3' ' ' TYR . 41.5 tp -57.36 -46.21 83.59 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 123.82 0.848 . . . . 0.0 110.672 177.516 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.77 -51.14 71.03 Favored 'General case' 0 C--O 1.238 0.473 0 O-C-N 123.608 0.567 . . . . 0.0 110.353 -179.423 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -59.76 -45.75 91.3 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.457 178.595 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -61.56 -47.37 85.85 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.435 -177.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.495 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 7.6 t -67.92 -32.77 73.47 Favored 'General case' 0 C--N 1.3 -1.549 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.36 -175.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.4 t -75.73 -37.03 59.75 Favored 'General case' 0 N--CA 1.429 -1.486 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.31 -179.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 10.4 m170 -77.92 -52.62 8.56 Favored 'General case' 0 CA--C 1.507 -0.691 0 CA-C-O 121.052 0.453 . . . . 0.0 111.608 -179.085 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 17.3 m -121.54 -50.07 3.01 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.67 0 N-CA-C 113.148 0.796 . . . . 0.0 113.148 -176.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.495 ' C ' ' HA ' ' A' ' 10' ' ' CYS . . . 150.48 169.22 16.21 Favored Glycine 0 N--CA 1.431 -1.666 0 C-N-CA 120.982 -0.628 . . . . 0.0 112.248 178.163 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.556 ' SG ' HD11 ' A' ' 20' ' ' LEU . 27.0 p -142.81 160.2 40.78 Favored 'General case' 0 C--N 1.299 -1.59 0 CA-C-O 120.871 0.367 . . . . 0.0 110.875 -177.301 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.574 ' O ' HD12 ' A' ' 20' ' ' LEU . 19.9 p -93.35 143.82 25.91 Favored 'General case' 0 N--CA 1.405 -2.678 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.607 178.268 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.518 ' HB3' ' O ' ' B' ' 4' ' ' MET . 3.4 tppp? -60.48 -36.13 77.57 Favored 'General case' 0 C--N 1.307 -1.245 0 C-N-CA 124.007 0.923 . . . . 0.0 110.616 -176.802 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.404 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 26.6 mmm180 -61.63 -30.92 71.02 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.226 173.559 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.1 t -76.52 -33.49 58.59 Favored 'General case' 0 N--CA 1.426 -1.645 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.081 -176.264 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.574 HD12 ' O ' ' A' ' 16' ' ' THR . 2.0 mp -79.23 -29.43 42.73 Favored 'General case' 0 CA--C 1.498 -1.023 0 C-N-CA 119.048 -1.061 . . . . 0.0 108.983 174.471 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.615 ' HA ' HG21 ' B' ' 22' ' ' ILE . . . -52.91 -46.13 67.9 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 124.495 1.122 . . . . 0.0 112.033 179.394 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 28.8 ptt180 -67.92 -14.74 63.2 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.74 -176.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -107.14 -68.86 0.87 Allowed 'General case' 0 CA--C 1.494 -1.197 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 178.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.473 ' HA ' ' HB3' ' B' ' 19' ' ' GLN . 48.4 t 52.47 86.85 0.04 OUTLIER 'General case' 0 C--N 1.308 -1.233 0 CA-C-N 113.477 -1.692 . . . . 0.0 112.145 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.314 -0.975 0 O-C-N 122.081 -0.387 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_