data_5msl_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 5msl _Structure_validation_residue.Date_analyzed 2017-06-16 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.622 HD23 ' CG1' ' A' ' 49' ' ' VAL . 23.7 mt . . . . . 0 CA--C 1.512 -0.502 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 25.4 m170 -88.59 120.14 29.7 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 107.467 -1.309 . . . . 0.0 107.467 174.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.51 ' HB2' ' N ' ' A' ' 15' ' ' GLY . 7.0 m-30 -100.47 118.26 36.32 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.765 -172.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.713 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 96.5 m-85 -126.27 130.14 50.3 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 173.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 16.3 t -76.45 143.8 40.31 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 122.04 0.924 . . . . 0.0 113.232 -166.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.527 HH21 HD13 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -67.73 119.31 12.25 Favored 'General case' 0 N--CA 1.439 -0.996 0 CA-C-N 113.457 -1.701 . . . . 0.0 109.966 172.524 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 28.9 t60 88.05 -47.22 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 114.447 -1.252 . . . . 0.0 112.849 167.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.783 ' SG ' HG12 ' A' ' 12' ' ' VAL . 1.7 p -92.17 -12.78 31.9 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 119.476 -0.89 . . . . 0.0 110.853 -173.726 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.44 32.41 79.12 Favored Glycine 0 C--N 1.332 0.344 0 CA-C-N 115.449 -0.796 . . . . 0.0 114.284 172.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.783 HG12 ' SG ' ' A' ' 10' ' ' CYS . 3.9 p -91.95 143.7 10.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 117.57 0.685 . . . . 0.0 110.976 175.53 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 34.3 mtmm -84.38 97.3 9.41 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.382 -0.827 . . . . 0.0 109.838 178.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -80.92 -16.65 12.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -175.206 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.51 ' N ' ' HB2' ' A' ' 5' ' ' TYR . . . . . . . . 0 N--CA 1.452 -0.266 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.257 -179.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.572 ' O ' ' HG3' ' A' ' 37' ' ' ARG . 44.3 p . . . . . 0 C--O 1.233 0.236 0 CA-C-O 120.234 0.064 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -64.93 -27.19 68.68 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 175.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -65.53 -47.25 76.55 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.733 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -65.01 -34.62 78.87 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.943 177.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.572 ' HG3' ' O ' ' A' ' 33' ' ' THR . 90.1 mtt180 -61.8 -33.13 73.57 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.047 176.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -73.69 -40.1 63.89 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.993 0.425 . . . . 0.0 110.912 -178.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -78.92 -10.28 59.76 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.788 179.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.42 ' O ' ' HG2' ' A' ' 40' ' ' MET . 45.8 ttm . . . . . 0 N--CA 1.47 0.568 0 C-N-CA 122.914 0.485 . . . . 0.0 111.731 -175.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.622 ' CG1' HD23 ' A' ' 3' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.446 -0.628 0 CA-C-O 121.086 0.47 . . . . 0.0 111.04 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -123.9 91.46 3.47 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 179.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.8 m -106.56 139.04 29.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.505 -173.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.713 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 10.5 mp -99.96 115.09 28.87 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.62 176.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 13.6 t -132.11 -179.64 5.54 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.519 -172.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.527 HD13 HH21 ' A' ' 8' ' ' ARG . 31.5 mt -94.77 125.49 47.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.832 -179.635 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.587 ' SG ' ' HB3' ' A' ' 57' ' ' ASP . 17.3 p -82.3 175.21 10.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.294 175.61 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -56.17 -45.52 79.67 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.045 0.45 . . . . 0.0 109.997 178.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.587 ' HB3' ' SG ' ' A' ' 55' ' ' CYS . 4.4 t70 -57.54 -49.37 76.55 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.219 -0.9 . . . . 0.0 112.061 179.75 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 92.2 m -73.34 -35.14 65.98 Favored 'General case' 0 C--O 1.218 -0.587 0 C-N-CA 120.368 -0.533 . . . . 0.0 111.067 -176.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.781 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 0.2 OUTLIER -55.72 -38.31 69.57 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-O 121.178 0.513 . . . . 0.0 109.884 170.746 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -76.97 -33.24 57.65 Favored 'General case' 0 N--CA 1.428 -1.549 0 O-C-N 121.022 -1.049 . . . . 0.0 111.394 178.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.23 -30.3 62.18 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 122.081 0.943 . . . . 0.0 108.616 167.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.781 ' HB2' ' O ' ' A' ' 59' ' ' GLN . 0.1 OUTLIER -77.06 -59.18 2.89 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 113.737 -1.574 . . . . 0.0 111.469 -178.765 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.9 t70 . . . . . 0 C--N 1.32 -0.707 0 CA-C-N 115.142 -0.935 . . . . 0.0 112.316 -173.525 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.449 ' HA ' ' HB ' ' A' ' 49' ' ' VAL . 7.7 mp . . . . . 0 N--CA 1.451 -0.382 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.607 ' HB2' ' O ' ' A' ' 49' ' ' VAL . 67.3 m170 -95.17 121.99 37.39 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 178.526 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.544 ' CD2' HG22 ' A' ' 53' ' ' THR . 4.2 m-30 -95.55 123.88 39.31 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 115.219 -0.901 . . . . 0.0 110.518 -176.46 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.535 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 70.9 m-85 -128.34 134.43 48.87 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 174.24 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.605 ' HB3' ' HB2' ' A' ' 10' ' ' CYS . 11.8 t -80.19 135.98 36.39 Favored 'General case' 0 CA--C 1.506 -0.724 0 CA-C-O 121.57 0.7 . . . . 0.0 112.684 -172.012 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.2 ppt_? -67.7 123.05 19.42 Favored 'General case' 0 N--CA 1.436 -1.14 0 CA-C-N 114.692 -1.14 . . . . 0.0 108.884 171.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 20.3 t-80 85.49 -7.65 0.84 Allowed 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.585 -1.188 . . . . 0.0 111.292 172.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.605 ' HB2' ' HB3' ' A' ' 7' ' ' CYS . 62.6 m -116.13 -41.86 3.12 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.152 0.501 . . . . 0.0 110.619 175.603 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 84.88 -4.83 84.45 Favored Glycine 0 N--CA 1.444 -0.803 0 C-N-CA 120.714 -0.755 . . . . 0.0 111.825 -174.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.513 HG12 ' HB2' ' A' ' 10' ' ' CYS . 2.1 p -63.19 131.9 28.85 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.504 0 CA-C-O 121.462 0.649 . . . . 0.0 111.962 -177.544 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.509 ' HD2' ' N ' ' A' ' 13' ' ' LYS . 2.1 mptp? -76.41 95.71 3.88 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 114.336 -1.302 . . . . 0.0 108.82 179.267 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -73.92 -37.4 47.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.593 -0.731 . . . . 0.0 111.034 -171.403 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.513 ' N ' ' HB2' ' A' ' 5' ' ' TYR . . . . . . . . 0 N--CA 1.452 -0.245 0 C-N-CA 120.444 -0.884 . . . . 0.0 112.754 -175.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.49 ' O ' ' HG3' ' A' ' 37' ' ' ARG . 7.3 t . . . . . 0 N--CA 1.451 -0.384 0 CA-C-O 120.969 0.414 . . . . 0.0 111.513 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 24.4 p-10 -55.5 -52.49 63.5 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.827 -175.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.429 ' HG2' HG23 ' A' ' 33' ' ' THR . 13.1 pt-20 -64.31 -24.88 67.81 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.693 0.283 . . . . 0.0 111.145 -178.166 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.4 ' HG2' HG21 ' A' ' 33' ' ' THR . 34.7 mm-40 -76.67 -30.75 56.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.287 0.565 . . . . 0.0 110.319 177.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.49 ' HG3' ' O ' ' A' ' 33' ' ' THR . 88.2 mtt180 -84.57 -43.04 14.85 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.045 -178.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 19.3 m120 -76.67 -33.6 58.27 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -174.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -75.91 -45.66 34.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.016 0.436 . . . . 0.0 110.467 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 C--N 1.325 -0.491 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.859 179.095 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.607 ' O ' ' HB2' ' A' ' 4' ' ' HIS . 10.5 m . . . . . 0 N--CA 1.441 -0.888 0 CA-C-O 121.72 0.771 . . . . 0.0 110.845 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 36.3 t-80 -124.06 91.41 3.45 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.096 -177.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.8 m -112.1 126.85 69.54 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.802 -177.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.535 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 3.2 mm? -92.55 114.85 27.51 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.348 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.544 HG22 ' CD2' ' A' ' 5' ' ' TYR . 13.7 t -133.02 -171.04 2.58 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.568 -173.613 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -103.61 127.03 58.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.236 0.541 . . . . 0.0 111.059 -178.528 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 22.3 p -76.11 169.3 18.45 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.953 -179.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 -53.82 -42.13 68.09 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.953 0.406 . . . . 0.0 110.253 178.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -61.42 -48.38 81.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.029 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.449 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 30.5 m -61.91 -52.85 62.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.761 176.769 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -54.68 -34.21 61.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.642 -179.7 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -68.44 -46.17 70.56 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 111.79 0.293 . . . . 0.0 111.79 -179.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.41 -33.4 75.62 Favored 'General case' 0 CA--C 1.512 -0.511 0 CA-C-O 122.194 0.997 . . . . 0.0 108.531 178.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.449 ' HB2' ' O ' ' A' ' 58' ' ' CYS . 0.4 OUTLIER -65.08 -57.95 7.31 Favored 'General case' 0 N--CA 1.437 -1.076 0 CA-C-N 113.119 -1.855 . . . . 0.0 111.941 178.857 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.8 t70 . . . . . 0 C--N 1.32 -0.69 0 CA-C-N 114.579 -1.191 . . . . 0.0 111.268 -179.382 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.483 ' HA ' ' CG2' ' A' ' 49' ' ' VAL . 6.1 mp . . . . . 0 CA--C 1.514 -0.407 0 CA-C-O 121.034 0.445 . . . . 0.0 110.933 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 -95.39 122.52 38.19 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.514 177.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.604 ' HB2' ' N ' ' A' ' 15' ' ' GLY . 5.7 m-30 -95.46 128.13 42.07 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.443 -179.199 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.423 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 83.6 m-85 -130.65 135.79 48.2 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 173.63 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.593 ' HB3' ' HB2' ' A' ' 10' ' ' CYS . 35.0 t -79.81 138.33 37.2 Favored 'General case' 0 CA--C 1.511 -0.528 0 CA-C-O 121.894 0.854 . . . . 0.0 113.254 -170.448 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.494 ' O ' ' HB3' ' A' ' 9' ' ' HIS . 40.3 ttp85 -55.31 116.37 2.79 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 113.578 -1.646 . . . . 0.0 109.567 166.501 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.494 ' HB3' ' O ' ' A' ' 8' ' ' ARG . 14.1 t-160 85.26 -49.24 0.08 Allowed 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.822 0.849 . . . . 0.0 111.315 173.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.593 ' HB2' ' HB3' ' A' ' 7' ' ' CYS . 62.5 m -70.51 -40.17 73.68 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.23 0.538 . . . . 0.0 110.839 179.087 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 78.74 4.83 88.32 Favored Glycine 0 N--CA 1.447 -0.57 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.654 -174.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.541 HG11 ' HB2' ' A' ' 10' ' ' CYS . 2.6 p -71.43 135.55 27.72 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.619 0 CA-C-O 121.317 0.58 . . . . 0.0 112.127 -176.461 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.566 ' H ' ' HD3' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -72.99 94.12 1.83 Allowed 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 114.889 -1.051 . . . . 0.0 109.381 179.072 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -73.33 -21.9 19.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.139 0.495 . . . . 0.0 110.028 -176.779 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.604 ' N ' ' HB2' ' A' ' 5' ' ' TYR . . . . . . . . 0 N--CA 1.447 -0.592 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.776 -176.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 N--CA 1.446 -0.646 0 N-CA-C 112.651 0.611 . . . . 0.0 112.651 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 25.7 m-80 -59.64 -39.93 86.0 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.67 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -61.29 -25.99 67.48 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.645 -177.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -71.32 -45.62 62.57 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 120.901 0.382 . . . . 0.0 110.4 179.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -76.29 -26.43 55.88 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-O 120.89 0.376 . . . . 0.0 111.092 -178.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -72.36 -39.13 68.31 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 175.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -78.25 -58.12 3.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.756 0.312 . . . . 0.0 111.715 -179.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 43.5 ttp . . . . . 0 C--N 1.324 -0.517 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.92 -173.965 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.483 ' CG2' ' HA ' ' A' ' 3' ' ' LEU . 1.5 m . . . . . 0 N--CA 1.446 -0.638 0 CA-C-O 121.609 0.718 . . . . 0.0 111.287 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -119.69 103.33 9.29 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.437 -177.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.6 m -119.22 142.33 34.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.126 0.489 . . . . 0.0 111.515 -177.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.423 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 84.8 mt -103.24 133.48 48.26 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.668 177.775 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.557 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 14.6 t -152.51 179.65 8.39 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.155 -177.278 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -91.56 128.91 42.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.186 179.077 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 20.6 p -73.04 162.97 28.84 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.907 178.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -53.77 -39.82 65.73 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.968 0.413 . . . . 0.0 110.35 -178.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -63.44 -46.7 85.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.206 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.648 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 11.0 m -57.69 -50.39 73.36 Favored 'General case' 0 C--O 1.223 -0.329 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 174.442 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -51.78 -43.86 63.18 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.242 176.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -67.81 -46.42 71.94 Favored 'General case' 0 N--CA 1.436 -1.16 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.864 -177.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.57 -32.62 73.5 Favored 'General case' 0 CA--C 1.504 -0.813 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 -178.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.648 ' HB2' ' O ' ' A' ' 58' ' ' CYS . 0.6 OUTLIER -60.69 -56.61 19.2 Favored 'General case' 0 N--CA 1.431 -1.379 0 CA-C-N 113.838 -1.528 . . . . 0.0 111.675 179.035 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 30.1 t70 . . . . . 0 C--N 1.322 -0.628 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.008 -179.545 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.418 ' HA ' ' CG2' ' A' ' 49' ' ' VAL . 6.5 mp . . . . . 0 CA--C 1.511 -0.528 0 N-CA-C 108.717 -0.845 . . . . 0.0 108.717 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 50.1 m80 -88.31 121.41 30.68 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-O 121.359 0.6 . . . . 0.0 109.426 178.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.543 ' CD1' HG21 ' A' ' 53' ' ' THR . 2.8 m-30 -93.42 117.62 30.3 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-N 114.917 -1.038 . . . . 0.0 109.972 -178.678 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -121.44 143.94 48.96 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-O 121.441 0.639 . . . . 0.0 109.955 174.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.614 ' HB3' ' O ' ' A' ' 12' ' ' VAL . 0.0 OUTLIER -81.58 121.56 26.47 Favored 'General case' 0 N--CA 1.434 -1.228 0 CA-C-N 114.988 -1.006 . . . . 0.0 111.988 -172.555 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.498 ' HG2' ' O ' ' A' ' 53' ' ' THR . 5.6 ptm180 -61.3 125.14 22.68 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 114.331 -1.304 . . . . 0.0 109.975 166.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 21.0 t60 86.57 -59.62 0.05 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.122 -0.945 . . . . 0.0 113.12 168.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -81.32 -22.16 38.7 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 119.658 -0.817 . . . . 0.0 110.714 -172.235 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.435 ' N ' ' SG ' ' A' ' 7' ' ' CYS . . . 84.14 22.39 54.86 Favored Glycine 0 C--N 1.332 0.332 0 C-N-CA 121.229 -0.51 . . . . 0.0 114.315 172.293 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.614 ' O ' ' HB3' ' A' ' 7' ' ' CYS . 2.0 p -94.25 137.35 23.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 117.83 0.815 . . . . 0.0 112.22 179.466 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.478 ' H ' ' HD2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -79.75 107.32 12.43 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.628 -178.83 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -93.6 -5.09 10.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.647 -175.63 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.457 -0.878 . . . . 0.0 112.683 -177.186 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.524 ' O ' ' HB3' ' A' ' 36' ' ' GLU . 51.5 m . . . . . 0 CA--C 1.533 0.307 0 CA-C-O 120.68 0.276 . . . . 0.0 111.038 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -81.48 -24.24 36.87 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 173.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -67.5 -42.44 82.85 Favored 'General case' 0 C--O 1.215 -0.74 0 CA-C-N 114.087 -1.415 . . . . 0.0 108.561 173.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.524 ' HB3' ' O ' ' A' ' 33' ' ' THR . 5.9 tp10 -48.63 -43.34 36.36 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.031 -1.44 . . . . 0.0 110.488 175.614 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -66.68 -43.5 84.27 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.354 -179.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -78.34 -42.69 29.85 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -176.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -70.12 -27.95 64.99 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.819 -175.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 31.4 tpp . . . . . 0 C--N 1.324 -0.541 0 CA-C-O 121.489 0.661 . . . . 0.0 110.596 -179.95 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.418 ' CG2' ' HA ' ' A' ' 3' ' ' LEU . 2.7 m . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 121.195 0.522 . . . . 0.0 110.989 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -125.2 106.6 10.01 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.493 -176.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 10.1 m -120.04 137.5 53.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.124 0.488 . . . . 0.0 111.583 -177.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -93.98 114.46 26.65 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.366 176.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.543 HG21 ' CD1' ' A' ' 5' ' ' TYR . 14.8 t -125.64 172.93 9.35 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 120.955 0.407 . . . . 0.0 110.666 -175.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.448 HG13 ' HD3' ' A' ' 8' ' ' ARG . 6.7 mt -85.43 112.78 22.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.024 178.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.434 ' HB3' ' HB2' ' A' ' 7' ' ' CYS . 7.4 p -77.8 177.67 7.99 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 174.056 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -66.1 -31.38 72.21 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 118.639 0.654 . . . . 0.0 110.769 179.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -70.75 -36.38 73.11 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 176.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.412 ' SG ' ' O ' ' A' ' 8' ' ' ARG . 54.0 m -60.69 -51.22 70.28 Favored 'General case' 0 C--O 1.226 -0.147 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 172.061 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 22.6 tp60 -50.86 -35.3 31.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.367 -1.288 . . . . 0.0 111.422 176.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -76.45 -41.03 48.85 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.28 -179.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.6 -31.08 70.26 Favored 'General case' 0 CA--C 1.508 -0.653 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 175.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.2 mp -69.99 -60.02 2.56 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 113.58 -1.646 . . . . 0.0 111.26 177.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.0 t70 . . . . . 0 C--N 1.314 -0.972 0 CA-C-N 113.97 -1.468 . . . . 0.0 112.199 -178.397 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.466 ' HG ' ' CG2' ' A' ' 49' ' ' VAL . 1.1 mp . . . . . 0 CA--C 1.513 -0.452 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.505 ' O ' ' HB ' ' A' ' 51' ' ' VAL . 83.2 m-70 -111.74 130.84 55.66 Favored 'General case' 0 C--N 1.309 -1.178 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.111 -173.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.579 ' CD2' HG21 ' A' ' 53' ' ' THR . 3.8 m-85 -101.56 106.21 17.26 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.28 -172.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -116.19 137.29 52.26 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 115.1 -0.954 . . . . 0.0 108.931 172.039 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.476 ' HA ' ' O ' ' A' ' 53' ' ' THR . 1.4 t -73.44 128.42 35.45 Favored 'General case' 0 C--N 1.309 -1.176 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.08 -177.214 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -78.83 120.57 23.64 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.052 164.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 47.4 t-80 103.24 -64.13 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 125.25 1.42 . . . . 0.0 112.384 175.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -81.2 -18.02 47.6 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 119.915 -0.714 . . . . 0.0 110.463 -174.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 75.81 18.66 79.5 Favored Glycine 0 C--N 1.34 0.783 0 C-N-CA 120.834 -0.698 . . . . 0.0 113.631 172.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.6 p -93.82 142.84 12.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 121.522 0.677 . . . . 0.0 112.047 179.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 32.8 mtmm -81.84 112.48 19.01 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.213 179.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -89.83 -16.78 8.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -171.36 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.602 0 C-N-CA 120.086 -1.054 . . . . 0.0 111.945 -177.121 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 N--CA 1.441 -0.895 0 N-CA-C 106.52 -1.659 . . . . 0.0 106.52 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -50.51 -47.2 57.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 118.446 0.566 . . . . 0.0 111.604 -178.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -70.7 -39.61 73.34 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.933 -176.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -75.75 -28.99 58.7 Favored 'General case' 0 C--O 1.223 -0.338 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 -176.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 53.8 ttp180 -56.54 -45.62 81.08 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.886 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -79.24 -38.31 35.91 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.394 179.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -76.61 -40.84 48.12 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.087 0.402 . . . . 0.0 112.087 -173.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 87.7 mmm . . . . . 0 C--N 1.322 -0.596 0 N-CA-C 111.851 0.315 . . . . 0.0 111.851 -175.734 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.466 ' CG2' ' HG ' ' A' ' 3' ' ' LEU . 4.0 t . . . . . 0 C--O 1.223 -0.335 0 CA-C-O 120.38 0.134 . . . . 0.0 111.17 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 12.9 t60 -73.74 114.75 12.37 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 177.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.505 ' HB ' ' O ' ' A' ' 4' ' ' HIS . 14.5 t -127.91 126.2 66.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.791 -168.261 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.1 mt -95.42 109.3 21.5 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 173.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.579 HG21 ' CD2' ' A' ' 5' ' ' TYR . 8.2 t -123.22 160.21 27.06 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.157 -174.342 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.5 mt -86.62 113.89 25.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-O 121.593 0.711 . . . . 0.0 109.875 179.04 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 5.3 p -78.84 164.09 24.77 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 114.896 -1.047 . . . . 0.0 108.783 177.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.416 ' HA ' ' HB3' ' A' ' 59' ' ' GLN . 31.7 tt0 -50.2 -37.05 33.3 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -173.579 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -58.95 -49.45 77.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.522 0.201 . . . . 0.0 111.526 -178.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -74.52 -34.09 62.93 Favored 'General case' 0 C--O 1.218 -0.598 0 C-N-CA 120.435 -0.506 . . . . 0.0 109.723 178.57 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.739 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 24.2 tp60 -56.25 -35.54 67.51 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 122.982 0.513 . . . . 0.0 112.299 173.062 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -78.2 -39.9 39.2 Favored 'General case' 0 C--N 1.315 -0.901 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.756 176.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -52.93 -31.36 39.72 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 122.308 1.051 . . . . 0.0 109.082 168.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.739 ' HB2' ' O ' ' A' ' 59' ' ' GLN . 0.2 OUTLIER -71.19 -60.82 2.02 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 113.424 -1.716 . . . . 0.0 111.36 -179.759 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.3 t70 . . . . . 0 C--N 1.322 -0.588 0 CA-C-N 114.62 -1.173 . . . . 0.0 111.59 -173.089 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.469 ' HA ' ' HB ' ' A' ' 49' ' ' VAL . 5.7 mp . . . . . 0 CA--C 1.516 -0.346 0 N-CA-C 109.19 -0.671 . . . . 0.0 109.19 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.486 ' HB2' ' O ' ' A' ' 49' ' ' VAL . 27.2 m170 -111.41 121.63 45.72 Favored 'General case' 0 CA--C 1.5 -0.966 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 -173.785 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.705 ' HB2' ' N ' ' A' ' 15' ' ' GLY . 3.0 m-30 -99.53 128.73 45.65 Favored 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.124 -177.196 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.48 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 78.6 m-85 -130.29 124.28 32.0 Favored 'General case' 0 C--N 1.313 -0.99 0 N-CA-C 107.518 -1.29 . . . . 0.0 107.518 174.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.616 ' HB3' ' HB2' ' A' ' 10' ' ' CYS . 42.4 t -73.28 142.94 47.18 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 113.653 0.983 . . . . 0.0 113.653 -164.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.463 ' O ' ' HB3' ' A' ' 9' ' ' HIS . 16.9 ttp85 -58.18 114.86 2.58 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 113.654 -1.612 . . . . 0.0 109.627 167.64 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.463 ' HB3' ' O ' ' A' ' 8' ' ' ARG . 16.2 t-80 84.0 -27.43 0.1 Allowed 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.789 0.835 . . . . 0.0 112.283 172.49 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.616 ' HB2' ' HB3' ' A' ' 7' ' ' CYS . 60.7 m -94.44 -32.91 13.33 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.254 0.55 . . . . 0.0 110.901 178.198 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 73.07 0.73 53.79 Favored Glycine 0 N--CA 1.446 -0.688 0 CA-C-N 115.498 -0.774 . . . . 0.0 112.053 -173.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.589 HG12 ' HB2' ' A' ' 10' ' ' CYS . 3.2 p -69.2 136.69 25.78 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 CA-C-O 121.456 0.646 . . . . 0.0 112.091 -174.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.512 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 50.9 mttm -75.79 95.12 3.4 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.682 -1.145 . . . . 0.0 110.035 -177.277 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -81.46 -12.91 12.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.522 -177.684 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.705 ' N ' ' HB2' ' A' ' 5' ' ' TYR . . . . . . . . 0 N--CA 1.449 -0.453 0 C-N-CA 120.932 -0.651 . . . . 0.0 111.73 -176.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.404 ' O ' ' HG2' ' A' ' 37' ' ' ARG . 41.4 p . . . . . 0 N--CA 1.446 -0.667 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 10.4 p30 -58.63 -26.73 64.02 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.214 0.531 . . . . 0.0 109.866 173.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -76.34 -54.67 6.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.436 -178.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -65.7 -32.21 73.64 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.153 -0.93 . . . . 0.0 111.589 -172.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.404 ' HG2' ' O ' ' A' ' 33' ' ' THR . 14.0 ptm180 -73.16 -24.5 60.58 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-O 121.08 0.467 . . . . 0.0 110.665 179.419 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -74.22 -52.2 13.1 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.428 -178.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -78.54 -30.36 46.91 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.041 -175.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 24.6 mmt . . . . . 0 C--N 1.322 -0.591 0 C-N-CA 121.22 -0.192 . . . . 0.0 111.374 -179.371 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.486 ' O ' ' HB2' ' A' ' 4' ' ' HIS . 2.1 m . . . . . 0 N--CA 1.44 -0.938 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -110.83 97.68 7.02 Favored 'General case' 0 C--N 1.319 -0.717 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.448 ' HB ' ' O ' ' A' ' 4' ' ' HIS . 71.8 t -113.86 120.49 63.83 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.262 0 CA-C-N 114.856 -1.065 . . . . 0.0 111.257 -167.289 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.48 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 57.7 mt -95.96 130.87 42.82 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 176.447 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.531 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 13.8 t -155.29 -176.23 5.84 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 -177.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -95.01 127.76 46.72 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-O 121.106 0.479 . . . . 0.0 111.073 -178.342 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.68 ' SG ' ' HB3' ' A' ' 57' ' ' ASP . 18.8 p -74.19 164.5 26.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.904 176.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.402 ' HA ' ' HB3' ' A' ' 59' ' ' GLN . 35.3 tt0 -54.94 -38.78 68.13 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.794 0.33 . . . . 0.0 110.389 178.738 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.68 ' HB3' ' SG ' ' A' ' 55' ' ' CYS . 14.5 t70 -55.89 -49.8 72.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 176.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 57.7 m -66.25 -43.96 85.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.12 0.486 . . . . 0.0 110.626 176.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.402 ' HB3' ' HA ' ' A' ' 56' ' ' GLU . 50.7 tp60 -50.98 -35.71 35.25 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.033 -0.985 . . . . 0.0 111.37 175.637 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -73.94 -39.84 63.49 Favored 'General case' 0 N--CA 1.438 -1.066 0 CA-C-N 116.051 -0.522 . . . . 0.0 112.015 -179.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.06 -32.86 74.79 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 122.147 0.975 . . . . 0.0 108.454 176.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.3 mp -62.39 -59.7 4.61 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-N 113.444 -1.707 . . . . 0.0 111.691 178.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.8 t70 . . . . . 0 C--N 1.313 -1.017 0 CA-C-N 114.382 -1.281 . . . . 0.0 111.294 179.355 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.42 ' HA ' ' CB ' ' A' ' 49' ' ' VAL . 6.5 mp . . . . . 0 CA--C 1.52 -0.193 0 CA-C-O 120.912 0.387 . . . . 0.0 110.453 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.604 ' HB2' ' O ' ' A' ' 49' ' ' VAL . 42.1 m170 -101.52 125.75 48.22 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.039 178.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.692 ' HB2' ' N ' ' A' ' 15' ' ' GLY . 10.0 m-30 -91.9 133.63 35.5 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.178 -177.245 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.581 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 89.2 m-85 -133.38 126.2 30.79 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 173.296 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.645 ' HB3' ' HB2' ' A' ' 10' ' ' CYS . 9.9 t -75.11 139.81 43.0 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 114.063 1.134 . . . . 0.0 114.063 -166.228 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.53 117.97 8.14 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 113.116 -1.856 . . . . 0.0 109.634 169.171 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 24.4 t-80 80.59 6.16 1.54 Allowed 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 115.327 -0.852 . . . . 0.0 111.19 171.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.645 ' HB2' ' HB3' ' A' ' 7' ' ' CYS . 61.0 m -129.08 -38.56 1.61 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.944 0.402 . . . . 0.0 111.378 177.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 80.66 -1.67 82.02 Favored Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.787 -0.72 . . . . 0.0 111.999 -175.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.542 HG12 ' HB2' ' A' ' 10' ' ' CYS . 1.6 p -71.85 131.37 34.72 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.447 0 CA-C-O 121.392 0.615 . . . . 0.0 112.113 -177.567 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.0 mtpm? -72.36 95.37 1.73 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.703 -1.135 . . . . 0.0 109.437 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -80.06 -12.86 13.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 121.132 0.491 . . . . 0.0 110.46 -176.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.692 ' N ' ' HB2' ' A' ' 5' ' ' TYR . . . . . . . . 0 N--CA 1.442 -0.952 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.375 -179.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.7 t . . . . . 0 N--CA 1.473 0.722 0 N-CA-C 114.37 1.248 . . . . 0.0 114.37 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -54.32 -32.58 56.94 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 118.809 0.732 . . . . 0.0 111.682 -178.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -77.01 -51.47 11.04 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.035 176.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -50.78 -52.64 38.92 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.109 -0.95 . . . . 0.0 111.871 177.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -57.72 -42.08 83.1 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.058 -0.973 . . . . 0.0 111.441 -174.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -78.25 -43.54 27.97 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.232 -177.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -78.69 -61.41 2.02 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -169.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 26.2 ttt . . . . . 0 C--N 1.328 -0.332 0 N-CA-C 113.922 1.082 . . . . 0.0 113.922 -170.85 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.604 ' O ' ' HB2' ' A' ' 4' ' ' HIS . 5.1 m . . . . . 0 N--CA 1.44 -0.963 0 CA-C-O 121.587 0.708 . . . . 0.0 110.839 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -126.32 93.28 3.76 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.36 -178.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 12.5 m -110.87 134.52 52.89 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.251 -177.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.581 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 85.7 mt -85.57 121.63 28.54 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 175.528 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.499 HG21 ' CD2' ' A' ' 5' ' ' TYR . 14.7 t -142.62 -172.29 3.6 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.455 -175.63 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.471 HD13 HD11 ' A' ' 62' ' ' LEU . 1.1 mp -101.99 127.4 55.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 120.952 0.405 . . . . 0.0 111.751 -175.007 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.503 ' SG ' ' HB3' ' A' ' 57' ' ' ASP . 20.6 p -82.81 176.54 9.23 Favored 'General case' 0 N--CA 1.46 0.048 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.341 176.315 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -59.03 -41.85 88.78 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.111 0.481 . . . . 0.0 110.534 178.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.503 ' HB3' ' SG ' ' A' ' 55' ' ' CYS . 17.4 t70 -59.28 -42.23 90.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.882 178.013 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.431 ' HB2' HG22 ' A' ' 54' ' ' ILE . 64.4 m -74.54 -37.1 63.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.029 179.16 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.74 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 25.3 tm0? -54.83 -30.29 57.02 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.945 177.281 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -70.38 -48.73 54.88 Favored 'General case' 0 N--CA 1.433 -1.316 0 O-C-N 121.897 -0.502 . . . . 0.0 111.916 177.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.81 -33.49 61.63 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 122.356 1.074 . . . . 0.0 108.828 172.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.74 ' HB2' ' O ' ' A' ' 59' ' ' GLN . 0.2 OUTLIER -63.52 -61.83 2.07 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 113.338 -1.755 . . . . 0.0 112.367 178.02 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.8 t70 . . . . . 0 C--N 1.322 -0.624 0 CA-C-N 115.061 -0.972 . . . . 0.0 112.562 -173.019 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.5 HD11 ' N ' ' A' ' 3' ' ' LEU . 3.9 mp . . . . . 0 CA--C 1.514 -0.419 0 CA-C-O 121.158 0.504 . . . . 0.0 110.091 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -93.21 126.66 38.44 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.202 178.18 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.678 ' HB2' ' N ' ' A' ' 15' ' ' GLY . 9.3 m-30 -96.42 131.01 43.43 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-N 114.988 -1.006 . . . . 0.0 109.766 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.665 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 96.7 m-85 -129.14 132.23 47.32 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 171.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.488 ' HA ' ' O ' ' A' ' 53' ' ' THR . 13.5 t -84.59 145.96 27.76 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 113.808 1.04 . . . . 0.0 113.808 -167.39 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.497 ' HG3' ' O ' ' A' ' 8' ' ' ARG . 17.5 ptt180 -71.27 123.03 21.32 Favored 'General case' 0 N--CA 1.437 -1.112 0 CA-C-N 113.911 -1.495 . . . . 0.0 108.709 169.159 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 17.7 t60 80.6 -45.5 0.25 Allowed 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.514 -0.766 . . . . 0.0 112.152 170.152 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.541 ' CB ' HG12 ' A' ' 12' ' ' VAL . 33.5 m -69.82 -37.77 76.35 Favored 'General case' 0 N--CA 1.462 0.171 0 N-CA-C 109.001 -0.741 . . . . 0.0 109.001 175.709 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 79.46 14.4 81.44 Favored Glycine 0 C--N 1.335 0.481 0 CA-C-N 115.364 -0.835 . . . . 0.0 112.343 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.541 HG12 ' CB ' ' A' ' 10' ' ' CYS . 0.4 OUTLIER -96.64 138.57 21.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.187 0.517 . . . . 0.0 112.322 -175.516 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.527 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -78.76 95.2 5.27 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.818 176.468 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.434 HG11 ' HA ' ' A' ' 55' ' ' CYS . 0.0 OUTLIER -76.22 -12.84 14.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.787 -177.271 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.678 ' N ' ' HB2' ' A' ' 5' ' ' TYR . . . . . . . . 0 N--CA 1.448 -0.511 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.158 -177.054 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.4 m . . . . . 0 N--CA 1.441 -0.889 0 N-CA-C 106.945 -1.502 . . . . 0.0 106.945 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 12.5 p30 -43.55 -38.12 2.8 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 118.433 0.56 . . . . 0.0 112.309 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -67.13 -32.85 74.25 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 -178.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -65.71 -34.55 78.45 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-N 118.205 0.457 . . . . 0.0 110.281 -175.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.8 ttt180 -71.82 -38.13 70.23 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-N 115.575 -0.738 . . . . 0.0 111.056 -179.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -78.28 -38.07 43.49 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.134 -179.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -78.35 -57.84 3.57 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.654 -174.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 88.0 mtp . . . . . 0 C--N 1.325 -0.487 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -173.725 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.476 ' HB ' ' HA ' ' A' ' 3' ' ' LEU . 14.6 m . . . . . 0 N--CA 1.438 -1.052 0 CA-C-O 121.876 0.846 . . . . 0.0 111.048 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 10.9 t60 -133.42 102.26 5.46 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.096 -0.956 . . . . 0.0 108.968 -178.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 22.3 m -119.91 142.15 36.81 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.778 -176.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.665 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 21.9 mt -101.55 132.27 47.28 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 176.431 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.488 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 15.1 t -152.98 -170.69 3.7 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.427 -174.557 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.441 HG12 ' SG ' ' A' ' 58' ' ' CYS . 0.3 OUTLIER -113.5 138.36 43.41 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 C-N-CA 122.897 0.479 . . . . 0.0 111.022 -174.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.529 ' N ' ' SG ' ' A' ' 58' ' ' CYS . 3.2 m -72.6 -170.73 0.71 Allowed 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 123.23 0.612 . . . . 0.0 110.724 -178.449 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -78.72 -29.7 45.49 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 171.23 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.91 -50.48 34.42 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 113.831 -1.531 . . . . 0.0 112.072 -175.022 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.558 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 1.8 p -74.83 -34.8 62.4 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 122.278 -0.264 . . . . 0.0 110.61 -178.436 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.05 -34.72 72.27 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 121.211 0.529 . . . . 0.0 110.067 178.028 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -68.75 -49.22 60.51 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.578 -177.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.33 -29.85 71.09 Favored 'General case' 0 CA--C 1.51 -0.573 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 177.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.558 ' HB2' ' O ' ' A' ' 58' ' ' CYS . 0.3 OUTLIER -69.0 -59.11 3.27 Favored 'General case' 0 N--CA 1.432 -1.327 0 CA-C-N 113.758 -1.565 . . . . 0.0 111.609 -179.182 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.0 t70 . . . . . 0 C--N 1.318 -0.766 0 CA-C-N 114.995 -1.002 . . . . 0.0 111.353 -176.476 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.526 HD11 ' N ' ' A' ' 3' ' ' LEU . 1.9 mp . . . . . 0 CA--C 1.515 -0.373 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.582 ' HB3' ' CE1' ' A' ' 6' ' ' TYR . 1.5 m80 -123.07 122.0 37.42 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-O 121.583 0.706 . . . . 0.0 110.326 172.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.569 ' HB2' ' N ' ' A' ' 15' ' ' GLY . 7.2 m-85 -98.33 119.59 37.27 Favored 'General case' 0 C--N 1.302 -1.479 0 CA-C-N 114.203 -1.362 . . . . 0.0 109.407 179.042 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.582 ' CE1' ' HB3' ' A' ' 4' ' ' HIS . 93.7 m-85 -126.32 141.72 51.8 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 175.278 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 6.6 t -86.76 128.66 35.03 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 119.438 -0.905 . . . . 0.0 112.889 -172.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.445 ' O ' ' HB3' ' A' ' 9' ' ' HIS . 3.9 ptm180 -57.85 118.32 5.21 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 114.37 -1.287 . . . . 0.0 110.539 170.286 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.445 ' HB3' ' O ' ' A' ' 8' ' ' ARG . 38.2 t-80 88.57 -28.53 0.05 OUTLIER 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.737 169.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.572 ' HB2' HG12 ' A' ' 12' ' ' VAL . 11.2 m -95.53 -32.02 13.05 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.207 0.527 . . . . 0.0 110.728 178.115 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 76.39 6.91 84.71 Favored Glycine 0 N--CA 1.451 -0.362 0 CA-C-N 115.659 -0.7 . . . . 0.0 112.611 -179.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.572 HG12 ' HB2' ' A' ' 10' ' ' CYS . 2.0 p -76.53 137.86 21.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.999 0.428 . . . . 0.0 111.404 -177.306 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -82.79 97.51 8.64 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.111 -177.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -76.05 -27.24 17.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.84 -176.695 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.569 ' N ' ' HB2' ' A' ' 5' ' ' TYR . . . . . . . . 0 N--CA 1.446 -0.692 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.718 -178.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.126 0 N-CA-C 111.602 0.223 . . . . 0.0 111.602 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 20.6 p30 -59.7 -26.57 65.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.387 177.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -68.44 -33.76 74.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.812 0.339 . . . . 0.0 110.362 177.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 45.6 mm-40 -78.79 -27.34 44.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.023 0.439 . . . . 0.0 110.301 177.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -61.92 -39.68 92.86 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.15 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -79.0 -25.78 43.33 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.947 0.403 . . . . 0.0 110.664 176.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -75.47 -57.7 3.73 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.882 -176.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 16.2 tpt . . . . . 0 C--N 1.324 -0.513 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.182 -176.297 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.525 ' HB ' ' CB ' ' A' ' 3' ' ' LEU . 25.6 t . . . . . 0 N--CA 1.45 -0.43 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 9.2 t-80 -74.82 91.95 2.47 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.581 -175.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.424 HG22 ' HA ' ' A' ' 5' ' ' TYR . 2.9 m -115.34 125.26 72.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.17 178.265 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 41.8 mt -110.99 131.72 54.81 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.733 179.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.0 t -141.23 172.21 12.99 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 -176.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.56 HG23 ' SG ' ' A' ' 58' ' ' CYS . 0.8 OUTLIER -96.67 124.59 49.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.352 0.596 . . . . 0.0 110.544 178.178 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.441 ' SG ' HG13 ' A' ' 12' ' ' VAL . 18.5 p -87.81 -171.96 3.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.258 -0.883 . . . . 0.0 111.341 -179.409 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -59.03 -53.82 54.08 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.71 -177.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -51.78 -49.73 62.09 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.697 -173.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.56 ' SG ' HG23 ' A' ' 54' ' ' ILE . 2.2 p -73.75 -48.11 34.17 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 119.57 -0.252 . . . . 0.0 111.084 -175.212 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.554 ' CA ' ' HB2' ' A' ' 62' ' ' LEU . 1.2 tm0? -48.78 -31.97 7.87 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 123.19 0.596 . . . . 0.0 111.605 176.72 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -70.76 -52.55 20.02 Favored 'General case' 0 N--CA 1.441 -0.899 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.872 -178.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.57 -31.55 66.26 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 122.243 1.021 . . . . 0.0 109.648 172.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.554 ' HB2' ' CA ' ' A' ' 59' ' ' GLN . 0.7 OUTLIER -64.07 -60.61 3.02 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 113.051 -1.886 . . . . 0.0 110.663 -179.32 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.8 t70 . . . . . 0 C--N 1.321 -0.649 0 CA-C-N 114.405 -1.27 . . . . 0.0 110.436 176.203 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.428 ' HA ' ' HB ' ' A' ' 49' ' ' VAL . 6.8 mp . . . . . 0 CA--C 1.511 -0.552 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 44.8 m80 -88.72 121.47 31.13 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 178.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.48 ' HB2' ' C ' ' A' ' 14' ' ' VAL . 4.1 m-30 -99.04 116.85 32.21 Favored 'General case' 0 C--N 1.309 -1.157 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.932 -177.529 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.491 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 85.2 m-85 -118.11 128.98 55.26 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-O 121.167 0.508 . . . . 0.0 109.961 175.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.604 ' HB3' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -81.5 116.75 21.44 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.457 0.646 . . . . 0.0 112.615 -168.329 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.02 113.03 0.82 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 113.963 -1.471 . . . . 0.0 111.9 -177.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 63.8 t60 63.14 23.93 14.16 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 122.196 0.998 . . . . 0.0 109.699 171.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.604 ' HB3' ' HB3' ' A' ' 7' ' ' CYS . 37.1 t -128.64 -24.38 3.02 Favored 'General case' 0 N--CA 1.438 -1.045 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.372 -169.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 80.1 4.5 89.74 Favored Glycine 0 C--N 1.333 0.38 0 C-N-CA 120.913 -0.661 . . . . 0.0 114.646 168.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.544 HG13 ' SG ' ' A' ' 10' ' ' CYS . 2.0 p -107.51 144.96 15.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 117.277 0.538 . . . . 0.0 110.998 179.705 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.2 mtmm -96.19 110.54 22.81 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.943 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.48 ' C ' ' HB2' ' A' ' 5' ' ' TYR . 0.1 OUTLIER -99.47 12.96 5.49 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.392 -177.633 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.453 ' N ' ' HB2' ' A' ' 5' ' ' TYR . . . . . . . . 0 N--CA 1.447 -0.625 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.719 178.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.457 ' O ' ' HB3' ' A' ' 36' ' ' GLU . 17.4 m . . . . . 0 CA--C 1.53 0.206 0 CA-C-O 120.635 0.255 . . . . 0.0 111.576 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.446 ' N ' HG22 ' A' ' 33' ' ' THR . 86.9 m-20 -69.0 -28.0 66.2 Favored 'General case' 0 CA--C 1.51 -0.569 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 178.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -72.37 -42.5 65.2 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.086 -1.415 . . . . 0.0 108.744 175.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.457 ' HB3' ' O ' ' A' ' 33' ' ' THR . 41.6 tt0 -52.99 -33.05 49.65 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 113.685 -1.598 . . . . 0.0 111.702 -179.345 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.42 ' O ' ' HG2' ' A' ' 40' ' ' MET . 99.1 mtt180 -62.34 -36.85 83.51 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.756 0.312 . . . . 0.0 111.131 -179.35 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -81.36 -44.32 17.76 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.157 0.503 . . . . 0.0 110.887 174.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -72.77 -11.59 60.67 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 115.762 -0.654 . . . . 0.0 112.607 -173.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.42 ' HG2' ' O ' ' A' ' 37' ' ' ARG . 27.2 ptm . . . . . 0 N--CA 1.466 0.363 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -174.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.428 ' HB ' ' HA ' ' A' ' 3' ' ' LEU . 1.3 m . . . . . 0 N--CA 1.448 -0.545 0 CA-C-O 121.08 0.467 . . . . 0.0 110.853 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 11.6 t60 -120.93 114.55 21.71 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.19 -177.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.1 m -132.4 144.2 37.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.974 0.416 . . . . 0.0 111.266 -179.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.491 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 85.9 mt -105.05 136.98 43.52 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.43 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 14.8 t -148.41 -171.64 3.89 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.723 -0.217 . . . . 0.0 110.761 -176.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.635 HG23 ' SG ' ' A' ' 58' ' ' CYS . 2.0 mt -132.32 113.69 21.9 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 CA-C-O 121.383 0.611 . . . . 0.0 110.964 -178.711 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 22.8 p -73.52 -176.57 2.35 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.499 175.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -59.69 -46.07 90.19 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.633 -176.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -58.78 -49.79 76.37 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 112.392 0.516 . . . . 0.0 112.392 -174.045 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.635 ' SG ' HG23 ' A' ' 54' ' ' ILE . 6.5 p -74.49 -38.59 62.82 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.007 0.432 . . . . 0.0 110.409 -178.39 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -51.95 -34.34 41.62 Favored 'General case' 0 C--O 1.226 -0.17 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.941 170.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -69.84 -44.13 70.52 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 -177.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.36 -31.56 72.41 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-O 122.367 1.079 . . . . 0.0 108.895 177.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.23 -58.58 4.2 Favored 'General case' 0 N--CA 1.438 -1.029 0 CA-C-N 113.34 -1.755 . . . . 0.0 111.88 178.719 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.1 t70 . . . . . 0 C--N 1.32 -0.71 0 CA-C-N 114.559 -1.2 . . . . 0.0 111.767 -177.375 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.415 ' HA ' ' HB ' ' A' ' 49' ' ' VAL . 6.4 mp . . . . . 0 CA--C 1.515 -0.388 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 39.1 m80 -88.35 123.05 32.54 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 177.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.702 ' HB2' ' N ' ' A' ' 15' ' ' GLY . 9.5 m-30 -98.42 125.23 43.5 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.281 -178.409 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.595 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 95.1 m-85 -125.44 134.04 52.24 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 108.885 -0.784 . . . . 0.0 108.885 173.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.691 ' HA ' ' O ' ' A' ' 53' ' ' THR . 39.5 t -83.28 144.35 29.78 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 -165.251 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.484 ' CZ ' HD11 ' A' ' 54' ' ' ILE . 32.2 ttp180 -66.45 120.77 13.94 Favored 'General case' 0 N--CA 1.44 -0.959 0 CA-C-N 113.563 -1.653 . . . . 0.0 109.63 171.442 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.466 ' HB3' ' O ' ' A' ' 8' ' ' ARG . 52.2 t60 91.47 -47.78 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 115.245 -0.889 . . . . 0.0 112.196 166.659 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.798 ' SG ' HG12 ' A' ' 12' ' ' VAL . 4.5 p -96.04 -23.06 16.98 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 119.78 -0.768 . . . . 0.0 110.682 -177.256 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 79.0 18.17 75.42 Favored Glycine 0 C--N 1.333 0.371 0 CA-C-N 115.992 -0.549 . . . . 0.0 114.182 173.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.798 HG12 ' SG ' ' A' ' 10' ' ' CYS . 7.0 p -75.39 144.68 11.76 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-N 117.605 0.702 . . . . 0.0 110.966 179.038 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.497 ' HG2' ' CD1' ' A' ' 6' ' ' TYR . 87.5 mttt -84.82 95.48 9.0 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.243 178.265 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -76.01 -22.94 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.961 -173.489 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.702 ' N ' ' HB2' ' A' ' 5' ' ' TYR . . . . . . . . 0 N--CA 1.445 -0.707 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.263 -175.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.0 m . . . . . 0 N--CA 1.445 -0.69 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 29.2 p-10 -46.6 -43.33 17.23 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 111.983 0.364 . . . . 0.0 111.983 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -63.02 -34.78 78.3 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -178.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -78.81 -29.44 44.83 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-O 120.887 0.375 . . . . 0.0 110.203 -178.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 36.4 mtm180 -67.46 -44.11 79.4 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 174.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -65.84 -30.77 71.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.643 176.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -70.39 -46.29 64.29 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.206 -177.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.235 0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.042 -179.057 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.415 ' HB ' ' HA ' ' A' ' 3' ' ' LEU . 5.1 m . . . . . 0 N--CA 1.441 -0.921 0 CA-C-O 121.555 0.693 . . . . 0.0 111.25 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -127.71 97.83 4.98 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.287 -0.87 . . . . 0.0 109.12 -177.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 17.6 m -118.05 144.33 26.39 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-O 120.946 0.403 . . . . 0.0 111.28 -175.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.595 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 38.3 mt -104.83 132.84 50.58 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.101 179.243 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.691 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 14.1 t -152.79 172.44 16.72 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 -178.164 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.484 HD11 ' CZ ' ' A' ' 8' ' ' ARG . 1.8 mt -90.81 128.77 42.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 120.781 0.324 . . . . 0.0 110.984 -178.313 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 13.8 p -82.68 171.89 13.52 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.303 178.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -56.79 -47.83 79.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 123.278 0.361 . . . . 0.0 110.904 -176.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -57.71 -46.05 84.91 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.661 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 98.2 m -70.16 -40.88 74.48 Favored 'General case' 0 C--O 1.216 -0.659 0 C-N-CA 121.02 -0.272 . . . . 0.0 110.925 -179.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.812 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 0.2 OUTLIER -55.94 -37.0 68.39 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 121.222 0.534 . . . . 0.0 110.431 174.197 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -75.55 -38.93 58.92 Favored 'General case' 0 N--CA 1.426 -1.648 0 O-C-N 120.785 -1.197 . . . . 0.0 110.694 178.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.88 -31.48 62.85 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 122.527 1.156 . . . . 0.0 109.207 169.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.812 ' HB2' ' O ' ' A' ' 59' ' ' GLN . 0.3 OUTLIER -68.62 -59.12 3.36 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 113.582 -1.644 . . . . 0.0 110.955 177.541 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.6 t70 . . . . . 0 C--N 1.323 -0.568 0 CA-C-N 114.376 -1.284 . . . . 0.0 113.126 -170.905 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.563 HD11 ' N ' ' A' ' 3' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.45 -0.457 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 36.5 m170 -101.82 123.25 45.46 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 177.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -90.87 122.32 33.48 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.719 -175.238 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.672 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 68.3 m-85 -131.6 138.25 48.74 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 173.746 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.576 ' HB3' ' HB2' ' A' ' 10' ' ' CYS . 34.5 t -77.85 142.93 38.21 Favored 'General case' 0 CA--C 1.503 -0.842 0 CA-C-O 121.554 0.693 . . . . 0.0 112.553 -172.214 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 35.8 ptt180 -72.25 124.42 25.03 Favored 'General case' 0 N--CA 1.436 -1.129 0 CA-C-N 114.259 -1.337 . . . . 0.0 108.903 169.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 88.08 -43.28 0.03 OUTLIER 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 114.089 -1.414 . . . . 0.0 110.885 175.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.576 ' HB2' ' HB3' ' A' ' 7' ' ' CYS . 68.0 m -79.08 -43.08 24.88 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.251 0.548 . . . . 0.0 111.089 177.492 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 79.99 9.67 86.44 Favored Glycine 0 N--CA 1.446 -0.654 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.89 -172.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.535 HG13 ' HB2' ' A' ' 10' ' ' CYS . 2.9 p -76.56 137.85 21.8 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.492 0 CA-C-O 121.497 0.665 . . . . 0.0 112.382 -176.813 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.7 mtpp -73.31 96.89 2.37 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.593 -1.185 . . . . 0.0 109.585 -179.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -82.79 -9.47 11.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.026 0.441 . . . . 0.0 110.366 -176.515 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.929 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -177.495 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.5 p . . . . . 0 N--CA 1.454 -0.243 0 N-CA-C 110.419 -0.215 . . . . 0.0 110.419 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.497 ' N ' HD21 ' A' ' 34' ' ' ASN . 0.9 OUTLIER -67.48 -28.32 67.75 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 174.459 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -56.97 -55.48 34.12 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.835 175.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -51.76 -44.15 63.23 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.288 -1.324 . . . . 0.0 112.034 -179.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -56.65 -36.55 69.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.628 -176.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 44.3 t-20 -65.05 -42.51 94.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.946 0.403 . . . . 0.0 110.274 -178.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -76.37 -37.14 57.65 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.021 -178.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 49.5 ttm . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.09 -179.905 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.412 ' HB ' ' CB ' ' A' ' 3' ' ' LEU . 2.9 t . . . . . 0 N--CA 1.455 -0.208 0 CA-C-O 121.162 0.506 . . . . 0.0 109.712 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -83.33 92.25 7.48 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.805 -177.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.0 m -102.99 134.92 42.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.099 -178.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.672 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 83.8 mt -98.26 108.83 21.63 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.577 177.464 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.407 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 15.2 t -125.07 -176.34 3.54 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.718 -173.437 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 40.1 mt -87.87 126.37 41.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.555 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 17.2 p -83.06 167.7 17.61 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 176.287 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -54.08 -42.95 69.9 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.993 0.425 . . . . 0.0 110.612 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -66.27 -35.39 80.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.141 -178.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.467 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 11.5 m -70.02 -54.16 14.41 Favored 'General case' 0 C--O 1.214 -0.779 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.759 177.132 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.641 ' HA ' ' HB2' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -49.06 -33.12 10.85 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.301 0.64 . . . . 0.0 110.726 174.144 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -60.88 -55.62 30.87 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-O 120.868 0.366 . . . . 0.0 110.968 176.039 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.28 -32.32 73.87 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.82 0.819 . . . . 0.0 109.965 174.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.641 ' HB2' ' HA ' ' A' ' 59' ' ' GLN . 0.4 OUTLIER -61.22 -62.53 1.77 Allowed 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 113.896 -1.502 . . . . 0.0 112.277 -173.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 28.8 t70 . . . . . 0 C--N 1.327 -0.41 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.994 -177.01 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.476 ' N ' HD13 ' A' ' 3' ' ' LEU . 5.5 mp . . . . . 0 CA--C 1.507 -0.693 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.447 ' HB3' ' CE2' ' A' ' 6' ' ' TYR . 13.8 m-70 -80.24 123.32 27.84 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.476 -178.283 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.51 ' CD1' HG23 ' A' ' 53' ' ' THR . 2.9 m-30 -96.68 120.16 36.49 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-N 115.038 -0.983 . . . . 0.0 111.011 -175.026 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.548 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 90.3 m-85 -130.74 135.01 47.38 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 173.47 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.628 ' HB3' ' HB2' ' A' ' 10' ' ' CYS . 34.0 t -76.88 140.42 40.57 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 114.082 1.141 . . . . 0.0 114.082 -167.272 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.6 tmm_? -59.09 115.8 3.41 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 113.309 -1.769 . . . . 0.0 109.348 166.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 21.9 t-80 85.93 -47.02 0.06 Allowed 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.921 0.888 . . . . 0.0 111.756 173.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.628 ' HB2' ' HB3' ' A' ' 7' ' ' CYS . 77.4 m -70.92 -42.56 69.74 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.422 0.63 . . . . 0.0 110.596 177.695 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 78.25 9.65 86.82 Favored Glycine 0 N--CA 1.443 -0.834 0 CA-C-N 115.196 -0.911 . . . . 0.0 111.614 -172.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.558 HG13 ' HB2' ' A' ' 10' ' ' CYS . 2.5 p -75.28 137.75 22.3 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 CA-C-O 121.19 0.519 . . . . 0.0 112.178 -175.581 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.483 ' H ' ' HD2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -70.55 97.09 1.26 Allowed 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 114.79 -1.095 . . . . 0.0 109.933 178.725 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -91.79 2.19 8.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 120.995 0.426 . . . . 0.0 110.734 -179.334 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.438 0 C-N-CA 120.912 -0.661 . . . . 0.0 111.536 177.974 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.4 p . . . . . 0 N--CA 1.445 -0.716 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 54.2 m-80 -57.19 -34.94 69.0 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.017 0.437 . . . . 0.0 109.914 177.339 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -77.37 -40.75 42.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.979 -0.555 . . . . 0.0 112.172 -176.403 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -70.75 -27.17 63.74 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 179.191 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -72.07 -31.75 66.4 Favored 'General case' 0 N--CA 1.438 -1.046 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.591 176.178 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -66.86 -44.08 81.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.754 0.311 . . . . 0.0 110.305 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -62.97 -36.38 83.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.158 0.504 . . . . 0.0 110.729 177.135 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 14.9 tpt . . . . . 0 C--N 1.325 -0.458 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.731 -175.948 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.441 ' CG2' ' HA ' ' A' ' 3' ' ' LEU . 2.6 m . . . . . 0 N--CA 1.443 -0.816 0 CA-C-O 121.416 0.626 . . . . 0.0 110.31 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 13.6 t60 -120.88 95.66 4.8 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.372 -177.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 12.9 m -109.31 137.74 39.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-O 121.169 0.509 . . . . 0.0 111.765 -175.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.548 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 3.1 mm? -96.24 109.03 21.58 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.24 176.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.587 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 13.8 t -123.11 170.46 10.18 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.84 -174.005 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.5 mt -87.17 123.39 39.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.035 176.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.452 ' SG ' ' HB3' ' A' ' 57' ' ' ASP . 19.7 p -72.27 165.3 24.72 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.323 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -55.34 -39.77 70.4 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.254 0.55 . . . . 0.0 109.773 179.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.452 ' HB3' ' SG ' ' A' ' 55' ' ' CYS . 31.2 t70 -63.36 -38.66 92.03 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.056 179.599 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.714 ' O ' HD21 ' A' ' 62' ' ' LEU . 8.1 m -68.68 -55.75 10.39 Favored 'General case' 0 C--O 1.222 -0.342 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.89 177.422 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.548 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 4.0 tt0 -49.05 -31.93 8.63 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.245 0.545 . . . . 0.0 111.547 -178.207 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -65.6 -56.04 14.35 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.419 0.628 . . . . 0.0 110.959 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.3 -31.3 67.36 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.435 174.203 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.714 HD21 ' O ' ' A' ' 58' ' ' CYS . 0.8 OUTLIER -62.48 -61.9 2.12 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 113.985 -1.462 . . . . 0.0 112.021 -176.324 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 33.7 t70 . . . . . 0 C--N 1.326 -0.445 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.752 -179.657 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.428 ' HA ' ' CG2' ' A' ' 49' ' ' VAL . 5.6 mp . . . . . 0 CA--C 1.503 -0.828 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 67.3 m80 -89.27 124.12 34.11 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.642 -178.159 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.714 ' HB2' ' N ' ' A' ' 15' ' ' GLY . 14.3 m-30 -91.66 137.54 32.28 Favored 'General case' 0 C--N 1.309 -1.192 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.433 177.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.557 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 68.0 m-85 -140.4 122.99 16.21 Favored 'General case' 0 C--N 1.311 -1.108 0 N-CA-C 106.546 -1.65 . . . . 0.0 106.546 175.546 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.584 ' HB3' ' HB2' ' A' ' 10' ' ' CYS . 49.4 t -71.64 130.13 40.41 Favored 'General case' 0 CA--C 1.502 -0.888 0 C-N-CA 119.238 -0.985 . . . . 0.0 112.129 -172.534 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.446 ' NH2' HD11 ' A' ' 62' ' ' LEU . 32.4 ptt180 -55.17 125.94 22.71 Favored 'General case' 0 N--CA 1.438 -1.036 0 CA-C-N 113.744 -1.571 . . . . 0.0 109.691 174.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.424 ' HB3' ' O ' ' A' ' 8' ' ' ARG . 50.5 t-80 79.82 -21.74 0.31 Allowed 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 114.385 -1.279 . . . . 0.0 111.594 175.177 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.584 ' HB2' ' HB3' ' A' ' 7' ' ' CYS . 99.4 m -94.44 -40.34 9.96 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.063 0.459 . . . . 0.0 111.602 178.466 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 81.6 0.07 88.73 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.114 -176.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.462 HG13 ' CB ' ' A' ' 10' ' ' CYS . 2.2 p -70.34 140.6 18.24 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.542 0 CA-C-O 120.861 0.362 . . . . 0.0 111.462 -177.508 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -81.8 93.84 6.92 Favored 'General case' 0 CA--C 1.501 -0.918 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 -179.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.7 p -104.74 11.26 8.63 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.446 0 CA-C-N 114.663 -1.153 . . . . 0.0 110.363 -169.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.714 ' N ' ' HB2' ' A' ' 5' ' ' TYR . . . . . . . . 0 CA--C 1.506 -0.527 0 CA-C-N 114.705 -1.134 . . . . 0.0 110.57 171.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.504 ' O ' ' HG3' ' A' ' 37' ' ' ARG . 9.0 t . . . . . 0 N--CA 1.448 -0.532 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -49.9 -34.98 22.02 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 118.059 0.391 . . . . 0.0 111.612 -176.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -72.77 -55.54 6.58 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.153 0.502 . . . . 0.0 111.264 176.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.417 ' O ' ' HB2' ' A' ' 40' ' ' MET . 21.6 tt0 -65.5 -29.58 70.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.905 -175.143 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.504 ' HG3' ' O ' ' A' ' 33' ' ' THR . 17.8 mtm180 -72.02 -33.13 67.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.01 0.434 . . . . 0.0 110.43 177.148 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -78.35 -47.8 16.94 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.468 -179.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -73.68 -56.77 4.57 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.648 -178.217 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.417 ' HB2' ' O ' ' A' ' 36' ' ' GLU . 26.1 mmt . . . . . 0 C--N 1.327 -0.391 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.199 -175.201 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.428 ' CG2' ' HA ' ' A' ' 3' ' ' LEU . 2.5 m . . . . . 0 N--CA 1.45 -0.459 0 CA-C-O 121.018 0.437 . . . . 0.0 109.941 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 49.8 p-80 -136.77 123.99 21.8 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.406 -176.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 15.6 m -128.44 136.14 60.75 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.523 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.557 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 83.0 mt -89.89 115.47 27.23 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.679 178.233 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.435 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 12.2 t -127.86 -171.28 2.4 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.678 -173.538 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.4 mt -102.08 120.82 52.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.873 -178.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.509 ' SG ' ' HB3' ' A' ' 57' ' ' ASP . 16.1 p -73.9 165.13 25.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.81 174.813 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -53.27 -41.53 65.63 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.701 0.286 . . . . 0.0 111.253 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.509 ' HB3' ' SG ' ' A' ' 55' ' ' CYS . 16.7 t70 -57.26 -48.87 77.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.058 178.094 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.446 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 69.5 m -67.9 -36.3 79.97 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.195 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.575 ' HA ' HE21 ' A' ' 59' ' ' GLN . 0.0 OUTLIER -52.63 -34.82 53.11 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.995 173.896 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -72.38 -44.67 62.2 Favored 'General case' 0 N--CA 1.439 -1.025 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.805 -179.422 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.36 -32.68 74.45 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 177.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.446 HD11 ' NH2' ' A' ' 8' ' ' ARG . 0.5 OUTLIER -63.3 -58.77 6.06 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 113.81 -1.541 . . . . 0.0 111.709 176.574 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.6 t70 . . . . . 0 C--N 1.316 -0.87 0 CA-C-N 114.512 -1.222 . . . . 0.0 110.93 177.982 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.463 ' N ' HD12 ' A' ' 3' ' ' LEU . 5.7 mp . . . . . 0 CA--C 1.515 -0.389 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 9.1 m170 -89.17 122.49 32.51 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 -177.169 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.53 ' HB2' ' N ' ' A' ' 15' ' ' GLY . 3.8 m-30 -90.93 121.44 32.76 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.454 -179.201 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.481 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 64.9 m-85 -127.99 128.45 45.05 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 174.694 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.615 ' HB3' ' HB2' ' A' ' 10' ' ' CYS . 24.6 t -73.44 144.55 46.26 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 -168.069 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 34.7 ttp85 -54.74 112.97 1.14 Allowed 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 113.658 -1.61 . . . . 0.0 109.977 168.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 81.91 -46.31 0.19 Allowed 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.078 0.951 . . . . 0.0 111.597 174.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.615 ' HB2' ' HB3' ' A' ' 7' ' ' CYS . 48.9 m -70.72 -35.18 72.59 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.091 0.472 . . . . 0.0 111.441 -178.766 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 75.76 -2.5 54.26 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.961 -0.638 . . . . 0.0 112.159 -175.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.567 HG12 ' HB2' ' A' ' 10' ' ' CYS . 2.5 p -65.17 135.28 28.54 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 CA-C-O 121.448 0.642 . . . . 0.0 112.051 -177.123 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.462 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 54.0 mttp -72.84 98.79 2.51 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 114.403 -1.271 . . . . 0.0 109.71 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -82.33 -3.46 7.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.375 0.607 . . . . 0.0 109.99 -177.659 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.53 ' N ' ' HB2' ' A' ' 5' ' ' TYR . . . . . . . . 0 N--CA 1.442 -0.926 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.173 179.186 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.448 -0.548 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -58.79 -30.56 67.67 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.574 0.226 . . . . 0.0 110.874 179.154 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -56.26 -44.14 79.41 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.137 176.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -72.8 -40.86 65.54 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 120.901 -0.32 . . . . 0.0 110.552 177.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 32.9 mtm180 -59.22 -40.11 84.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.285 -173.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -78.39 -40.51 35.9 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.454 -0.499 . . . . 0.0 111.759 -177.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -79.45 -58.12 3.36 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -175.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 3.7 mpp? . . . . . 0 C--N 1.327 -0.382 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -173.287 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.421 0 CA-C-O 120.602 0.239 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 42.3 p-80 -127.19 138.51 53.14 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 178.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.424 HG23 ' HA ' ' A' ' 5' ' ' TYR . 1.3 m -133.42 124.73 49.24 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.72 -179.79 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.481 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 3.1 mm? -84.95 109.7 18.35 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.282 177.346 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 14.5 t -133.13 -174.34 3.46 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.366 -177.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.3 mt -100.29 119.64 48.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.308 -175.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.401 ' SG ' ' HB3' ' A' ' 57' ' ' ASP . 19.6 p -68.24 166.14 16.99 Favored 'General case' 0 CA--C 1.522 -0.105 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.842 176.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.421 ' O ' ' HB3' ' A' ' 59' ' ' GLN . 42.6 mt-10 -58.5 -32.67 69.03 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.696 0.284 . . . . 0.0 110.564 -178.277 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.401 ' HB3' ' SG ' ' A' ' 55' ' ' CYS . 23.2 t70 -66.57 -44.72 81.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.727 178.101 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.411 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 33.2 m -65.09 -42.0 94.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.029 0.443 . . . . 0.0 110.065 174.661 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.421 ' HB3' ' O ' ' A' ' 56' ' ' GLU . 21.6 tp60 -51.6 -36.18 44.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.784 173.506 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -73.97 -43.96 56.39 Favored 'General case' 0 N--CA 1.434 -1.243 0 CA-C-O 120.902 0.382 . . . . 0.0 111.416 179.036 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.98 -29.02 69.43 Favored 'General case' 0 CA--C 1.507 -0.705 0 CA-C-O 122.628 1.204 . . . . 0.0 108.516 177.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.411 ' HB2' ' O ' ' A' ' 58' ' ' CYS . 0.5 OUTLIER -75.16 -60.2 2.4 Favored 'General case' 0 N--CA 1.427 -1.6 0 CA-C-N 113.514 -1.675 . . . . 0.0 112.065 -179.384 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.6 t70 . . . . . 0 C--N 1.318 -0.781 0 CA-C-N 114.733 -1.122 . . . . 0.0 112.552 -173.234 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.426 HD11 ' N ' ' A' ' 3' ' ' LEU . 6.3 mp . . . . . 0 CA--C 1.514 -0.438 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.482 ' HB3' ' CE2' ' A' ' 6' ' ' TYR . 77.0 m80 -87.63 123.74 32.8 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 179.624 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.477 ' CD2' HG21 ' A' ' 53' ' ' THR . 2.4 m-30 -101.77 112.25 24.78 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.199 -0.91 . . . . 0.0 111.039 -174.252 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.542 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 80.6 m-85 -124.0 135.4 53.6 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 174.677 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.6 ' HB3' ' HB2' ' A' ' 10' ' ' CYS . 9.1 t -82.02 131.96 35.25 Favored 'General case' 0 CA--C 1.505 -0.771 0 C-N-CA 120.07 -0.652 . . . . 0.0 112.68 -171.819 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.442 ' HD2' ' O ' ' A' ' 8' ' ' ARG . 3.3 ppt_? -66.6 124.28 22.39 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-N 114.671 -1.149 . . . . 0.0 108.849 170.779 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.415 ' HB3' ' O ' ' A' ' 8' ' ' ARG . 45.2 t60 90.51 -17.07 0.2 Allowed 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 114.289 -1.323 . . . . 0.0 110.856 172.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.6 ' HB2' ' HB3' ' A' ' 7' ' ' CYS . 63.0 m -110.6 -39.69 4.82 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.993 0.425 . . . . 0.0 111.4 179.351 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 81.25 3.98 90.56 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.866 -0.683 . . . . 0.0 111.833 -174.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.572 HG13 ' HB2' ' A' ' 10' ' ' CYS . 1.9 p -74.58 132.48 33.28 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.459 0 CA-C-O 121.532 0.682 . . . . 0.0 112.391 -177.733 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.495 ' HG3' ' CD1' ' A' ' 6' ' ' TYR . 0.1 OUTLIER -75.56 95.16 3.28 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 114.362 -1.29 . . . . 0.0 109.519 177.72 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -75.67 -31.6 23.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.335 -172.304 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.416 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.087 -176.255 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 96.3 m . . . . . 0 CA--C 1.531 0.239 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 15.1 p-10 -77.05 -28.84 54.94 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 170.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.409 ' O ' ' HB2' ' A' ' 39' ' ' ASP . 10.5 mt-10 -62.26 -36.61 82.59 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.22 -1.354 . . . . 0.0 109.33 174.234 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -65.43 -50.73 64.32 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.431 -1.259 . . . . 0.0 109.995 175.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -64.85 -54.56 29.05 Favored 'General case' 0 N--CA 1.442 -0.83 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.784 -175.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -75.5 -57.76 3.69 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.934 -173.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.409 ' HB2' ' O ' ' A' ' 35' ' ' GLU . 5.1 m-20 -73.91 -56.06 5.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.929 -173.815 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 18.7 ttt . . . . . 0 C--N 1.324 -0.513 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.621 -174.748 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.413 ' CG2' ' HA ' ' A' ' 3' ' ' LEU . 2.2 m . . . . . 0 N--CA 1.445 -0.72 0 CA-C-O 121.463 0.649 . . . . 0.0 109.944 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -125.4 92.5 3.63 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.115 -0.948 . . . . 0.0 108.806 -176.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.5 m -109.8 134.13 52.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-O 121.326 0.584 . . . . 0.0 112.051 -172.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.542 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 86.2 mt -90.52 115.78 27.92 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.259 174.577 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.477 HG21 ' CD2' ' A' ' 5' ' ' TYR . 14.6 t -128.53 -173.4 2.95 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.706 -173.14 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.427 HD12 HD13 ' A' ' 62' ' ' LEU . 1.7 mt -100.62 122.15 52.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.602 -179.267 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 18.8 p -72.84 166.19 23.43 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 174.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -56.96 -41.26 78.01 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 117.687 0.221 . . . . 0.0 111.29 -175.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -60.36 -39.78 88.41 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.963 0.411 . . . . 0.0 110.879 177.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 13.1 m -66.2 -45.24 81.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.927 176.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.799 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 18.4 tt0 -59.04 -30.97 68.43 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.873 0.368 . . . . 0.0 111.683 173.564 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -71.26 -41.61 69.85 Favored 'General case' 0 N--CA 1.429 -1.487 0 O-C-N 121.191 -0.943 . . . . 0.0 111.025 174.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.24 -31.16 61.28 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 122.207 1.003 . . . . 0.0 109.183 169.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.799 ' HB2' ' O ' ' A' ' 59' ' ' GLN . 0.4 OUTLIER -68.97 -58.72 3.73 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 113.394 -1.73 . . . . 0.0 111.416 178.476 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.2 t70 . . . . . 0 C--N 1.319 -0.752 0 CA-C-N 114.41 -1.268 . . . . 0.0 111.91 -176.776 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.495 ' CB ' ' HB ' ' A' ' 49' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.447 -0.623 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.456 ' O ' ' HB ' ' A' ' 51' ' ' VAL . 1.4 m80 -129.16 127.37 41.25 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.556 -177.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -89.08 116.13 27.13 Favored 'General case' 0 C--N 1.298 -1.672 0 CA-C-N 114.718 -1.128 . . . . 0.0 111.161 -177.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.484 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 99.1 m-85 -124.65 135.24 52.9 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 171.296 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.437 ' SG ' ' HA ' ' A' ' 54' ' ' ILE . 3.2 t -82.47 132.22 35.21 Favored 'General case' 0 CA--C 1.5 -0.944 0 C-N-CA 118.915 -1.114 . . . . 0.0 112.649 -172.532 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.455 ' HG3' ' O ' ' A' ' 8' ' ' ARG . 20.6 ptt180 -62.28 123.34 17.95 Favored 'General case' 0 N--CA 1.436 -1.138 0 CA-C-N 114.246 -1.343 . . . . 0.0 108.942 173.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 26.5 t-80 82.72 -41.21 0.11 Allowed 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.358 168.32 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.512 ' HB2' HG12 ' A' ' 12' ' ' VAL . 26.5 m -72.85 -33.34 66.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.279 0.561 . . . . 0.0 110.063 175.639 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 75.53 12.15 83.9 Favored Glycine 0 N--CA 1.448 -0.561 0 CA-C-N 115.35 -0.841 . . . . 0.0 112.221 179.042 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.512 HG12 ' HB2' ' A' ' 10' ' ' CYS . 1.3 p -83.0 130.35 35.87 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 CA-C-O 121.122 0.487 . . . . 0.0 111.433 -178.565 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.618 ' HD3' ' O ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -80.29 95.75 6.43 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.979 0.895 . . . . 0.0 109.458 178.748 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -73.52 -35.6 45.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.939 -174.812 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.828 0 N-CA-C 110.709 -0.956 . . . . 0.0 110.709 -179.905 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.3 m . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -50.96 -49.06 60.79 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 120.803 0.335 . . . . 0.0 111.207 179.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -53.76 -39.03 65.01 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.883 -0.599 . . . . 0.0 112.017 179.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -67.12 -46.4 74.25 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.119 0.485 . . . . 0.0 110.314 178.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 74.2 mtp180 -60.89 -43.15 98.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.294 -0.867 . . . . 0.0 110.967 -178.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -72.87 -26.94 61.63 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.273 -178.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -71.85 -57.34 4.41 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.656 -0.247 . . . . 0.0 111.636 -175.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 46.8 tpp . . . . . 0 C--N 1.328 -0.362 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.801 -177.842 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.495 ' HB ' ' CB ' ' A' ' 3' ' ' LEU . 6.7 t . . . . . 0 CA--C 1.521 -0.137 0 CA-C-O 120.882 0.372 . . . . 0.0 111.051 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 18.3 t-80 -73.94 103.92 4.61 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 176.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.456 ' HB ' ' O ' ' A' ' 4' ' ' HIS . 66.4 t -107.71 123.09 62.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.446 -171.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.484 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 3.2 mm? -103.16 110.08 21.9 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.859 177.028 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 15.2 t -125.38 -170.66 2.21 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.293 -0.412 . . . . 0.0 109.957 -178.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.586 HG12 ' SG ' ' A' ' 58' ' ' CYS . 0.4 OUTLIER -114.13 114.57 47.08 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 CA-C-O 121.379 0.609 . . . . 0.0 110.388 177.257 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 22.0 p -70.66 -177.89 1.67 Allowed 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.309 177.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -69.53 -32.58 71.49 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.688 -0.233 . . . . 0.0 111.407 -176.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -56.6 -50.78 70.94 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 120.876 0.369 . . . . 0.0 111.448 -178.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.61 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 2.3 p -75.72 -51.5 12.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.822 -178.812 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.543 ' HB2' ' CG2' ' A' ' 54' ' ' ILE . 21.1 tm0? -51.91 -35.84 46.88 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.254 0.622 . . . . 0.0 112.176 -176.792 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -67.53 -56.26 10.21 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 121.061 0.458 . . . . 0.0 110.659 -176.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.9 -32.0 73.18 Favored 'General case' 0 CA--C 1.503 -0.845 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 179.05 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.61 ' HB2' ' O ' ' A' ' 58' ' ' CYS . 0.2 OUTLIER -58.64 -58.64 7.66 Favored 'General case' 0 N--CA 1.44 -0.958 0 CA-C-N 113.731 -1.577 . . . . 0.0 111.451 -177.378 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.7 t70 . . . . . 0 C--N 1.318 -0.765 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.791 -177.081 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.406 ' N ' HD12 ' A' ' 3' ' ' LEU . 6.6 mp . . . . . 0 CA--C 1.519 -0.245 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 35.7 m80 -86.01 121.48 28.7 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 -179.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.458 ' HB2' ' N ' ' A' ' 15' ' ' GLY . 7.6 m-30 -98.75 126.26 44.32 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.305 -173.443 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.527 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 81.8 m-85 -131.36 131.43 43.69 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 173.591 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.552 ' HB3' ' HB2' ' A' ' 10' ' ' CYS . 11.8 t -78.19 137.21 38.04 Favored 'General case' 0 CA--C 1.5 -0.972 0 CA-C-O 121.735 0.779 . . . . 0.0 112.882 -170.342 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.436 ' O ' ' HB3' ' A' ' 9' ' ' HIS . 34.0 ptt180 -65.89 126.48 28.67 Favored 'General case' 0 N--CA 1.435 -1.218 0 CA-C-N 113.836 -1.529 . . . . 0.0 108.674 168.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.436 ' HB3' ' O ' ' A' ' 8' ' ' ARG . 24.3 t60 86.97 -44.39 0.04 OUTLIER 'General case' 0 C--N 1.309 -1.155 0 CA-C-N 114.061 -1.427 . . . . 0.0 110.933 173.595 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.552 ' HB2' ' HB3' ' A' ' 7' ' ' CYS . 61.1 m -78.45 -42.47 29.81 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.275 0.559 . . . . 0.0 111.283 179.749 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 81.44 8.66 86.8 Favored Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 120.522 -0.846 . . . . 0.0 111.6 -173.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.542 HG11 ' HB2' ' A' ' 10' ' ' CYS . 2.4 p -78.09 134.65 27.8 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.571 0 CA-C-O 121.436 0.636 . . . . 0.0 111.736 -178.042 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.7 mttm -76.58 93.93 3.66 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 114.718 -1.128 . . . . 0.0 108.881 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.423 ' HB ' ' HB3' ' A' ' 5' ' ' TYR . 0.3 OUTLIER -69.94 -30.81 45.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.037 -172.717 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.458 ' N ' ' HB2' ' A' ' 5' ' ' TYR . . . . . . . . 0 C--N 1.329 0.18 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.319 -178.321 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.448 ' O ' ' HB3' ' A' ' 36' ' ' GLU . 58.7 m . . . . . 0 CA--C 1.537 0.453 0 CA-C-O 120.416 0.15 . . . . 0.0 111.195 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.406 ' N ' HG22 ' A' ' 33' ' ' THR . 94.1 m-20 -74.54 -36.83 63.14 Favored 'General case' 0 CA--C 1.511 -0.526 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 176.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -73.52 -26.08 60.71 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.824 -1.08 . . . . 0.0 108.998 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.448 ' HB3' ' O ' ' A' ' 33' ' ' THR . 39.3 tt0 -56.61 -46.43 80.91 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.341 -1.3 . . . . 0.0 110.943 178.57 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 52.3 mtm180 -68.04 -31.97 71.99 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.988 -177.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -73.36 -43.49 60.6 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.167 -178.554 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -67.33 -31.94 72.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.555 179.234 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 15.7 tpt . . . . . 0 C--O 1.233 0.189 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.032 177.25 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.402 ' CG2' ' HA ' ' A' ' 3' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.449 -0.497 0 CA-C-O 121.053 0.454 . . . . 0.0 110.265 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -117.28 108.08 15.19 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.008 -175.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.4 m -127.68 143.84 39.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.272 0.558 . . . . 0.0 112.002 -176.512 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.527 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 2.8 mm? -98.48 122.65 41.94 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 175.174 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.437 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 13.8 t -142.8 -172.48 3.66 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 120.907 0.384 . . . . 0.0 111.36 -173.248 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 7.1 mt -88.17 128.92 40.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.993 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 17.6 p -82.75 166.63 18.89 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 173.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 52.9 mp0 -55.06 -45.71 75.34 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.801 0.334 . . . . 0.0 110.794 -177.212 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.412 ' O ' ' HB3' ' A' ' 60' ' ' GLU . 25.1 t70 -61.26 -40.9 95.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.311 179.478 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.677 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 4.6 m -61.02 -53.82 52.45 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.53 176.452 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.407 ' OE1' ' HB2' ' A' ' 63' ' ' ASP . 0.0 OUTLIER -53.2 -37.12 61.71 Favored 'General case' 0 N--CA 1.467 0.376 0 O-C-N 123.712 0.633 . . . . 0.0 110.846 177.916 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.412 ' HB3' ' O ' ' A' ' 57' ' ' ASP . 8.8 tp10 -58.1 -56.99 14.93 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.764 0.792 . . . . 0.0 111.438 -179.672 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.45 -28.22 68.42 Favored 'General case' 0 N--CA 1.44 -0.94 0 CA-C-N 114.275 -1.33 . . . . 0.0 108.203 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.677 ' HB2' ' O ' ' A' ' 58' ' ' CYS . 0.3 OUTLIER -70.07 -57.97 4.36 Favored 'General case' 0 N--CA 1.434 -1.242 0 CA-C-N 113.956 -1.474 . . . . 0.0 111.294 -173.118 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.407 ' HB2' ' OE1' ' A' ' 59' ' ' GLN . 38.8 t70 . . . . . 0 C--N 1.324 -0.525 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.735 -178.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.455 ' HA ' ' HB ' ' A' ' 49' ' ' VAL . 7.1 mp . . . . . 0 CA--C 1.513 -0.457 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.433 ' HB2' ' O ' ' A' ' 49' ' ' VAL . 40.0 m80 -93.2 122.08 35.22 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 108.423 -0.955 . . . . 0.0 108.423 176.403 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.502 ' H ' ' HA3' ' A' ' 15' ' ' GLY . 13.1 m-30 -99.74 129.8 45.89 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.639 -174.566 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.408 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 77.1 m-85 -127.4 132.67 50.08 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-O 121.62 0.724 . . . . 0.0 110.676 176.781 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.642 ' HB3' ' O ' ' A' ' 12' ' ' VAL . 0.0 OUTLIER -76.88 117.86 18.9 Favored 'General case' 0 N--CA 1.437 -1.111 0 CA-C-N 114.521 -1.218 . . . . 0.0 112.137 -174.394 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 32.9 ptt180 -66.18 131.59 46.52 Favored 'General case' 0 N--CA 1.436 -1.131 0 CA-C-N 115.223 -0.899 . . . . 0.0 108.662 166.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 44.6 t-80 90.46 -58.77 0.02 OUTLIER 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 115.316 -0.857 . . . . 0.0 113.26 168.46 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -83.6 -24.77 31.35 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 119.912 -0.715 . . . . 0.0 110.822 -172.071 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 83.62 33.18 22.71 Favored Glycine 0 C--N 1.334 0.435 0 C-N-CA 120.966 -0.635 . . . . 0.0 113.536 174.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.642 ' O ' ' HB3' ' A' ' 7' ' ' CYS . 2.4 p -106.38 139.81 26.55 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-O 121.961 0.886 . . . . 0.0 112.076 176.114 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 31.0 mtmm -89.76 94.77 9.96 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.102 -178.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -71.27 -22.51 22.45 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 CA-C-O 120.831 0.348 . . . . 0.0 111.063 -177.582 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.502 ' HA3' ' H ' ' A' ' 5' ' ' TYR . . . . . . . . 0 N--CA 1.447 -0.613 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.071 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.5 p . . . . . 0 N--CA 1.447 -0.589 0 CA-C-O 120.602 0.239 . . . . 0.0 110.657 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.413 ' HA ' ' HD3' ' A' ' 37' ' ' ARG . 77.9 m-20 -64.23 -23.05 67.17 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.225 0.536 . . . . 0.0 109.867 177.365 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -54.84 -55.58 28.74 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.538 172.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -67.64 -33.46 75.0 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.898 -1.046 . . . . 0.0 110.653 -177.112 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.413 ' HD3' ' HA ' ' A' ' 34' ' ' ASN . 77.7 mtp180 -56.51 -50.06 72.9 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 115.74 -0.663 . . . . 0.0 111.476 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -78.22 -38.23 43.58 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.751 0.31 . . . . 0.0 111.309 -178.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -77.82 -58.29 3.35 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -171.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 16.7 tpt . . . . . 0 C--N 1.322 -0.6 0 CA-C-O 120.835 0.35 . . . . 0.0 111.323 -173.132 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.455 ' HB ' ' HA ' ' A' ' 3' ' ' LEU . 2.3 m . . . . . 0 N--CA 1.444 -0.774 0 CA-C-O 121.284 0.564 . . . . 0.0 111.308 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 29.7 t60 -134.87 96.4 3.52 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.412 -177.437 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 26.0 m -121.33 143.03 35.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 120.819 0.342 . . . . 0.0 111.159 -176.134 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.408 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 0.9 OUTLIER -101.61 123.67 46.0 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 174.589 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 12.3 t -141.21 -179.94 6.4 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 121.111 0.481 . . . . 0.0 111.031 -172.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 11.1 mt -86.34 114.68 26.23 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.514 -178.22 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.47 ' HB3' ' HB2' ' A' ' 7' ' ' CYS . 8.5 p -79.63 -179.62 6.98 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 176.008 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.447 ' O ' ' HG2' ' A' ' 60' ' ' GLU . 41.8 mt-10 -58.0 -48.04 81.22 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.949 0.405 . . . . 0.0 110.304 177.722 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -64.67 -32.66 74.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.843 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.463 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 14.1 m -61.89 -54.8 36.99 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.065 0.46 . . . . 0.0 110.19 175.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.09 -35.56 67.14 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.583 179.577 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.447 ' HG2' ' O ' ' A' ' 56' ' ' GLU . 13.7 mm-40 -67.67 -45.81 74.15 Favored 'General case' 0 N--CA 1.437 -1.119 0 CA-C-O 120.933 0.397 . . . . 0.0 112.015 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.72 -30.47 71.57 Favored 'General case' 0 CA--C 1.509 -0.597 0 CA-C-O 122.339 1.066 . . . . 0.0 108.376 177.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.463 ' HB2' ' O ' ' A' ' 58' ' ' CYS . 0.4 OUTLIER -73.21 -59.54 2.66 Favored 'General case' 0 N--CA 1.43 -1.446 0 CA-C-N 113.132 -1.849 . . . . 0.0 112.25 -175.448 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.5 t70 . . . . . 0 C--N 1.322 -0.607 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.355 -174.018 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.432 ' HA ' ' HB ' ' A' ' 49' ' ' VAL . 6.0 mp . . . . . 0 CA--C 1.515 -0.379 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.53 ' O ' ' HB ' ' A' ' 51' ' ' VAL . 36.9 m80 -101.95 123.41 45.82 Favored 'General case' 0 CA--C 1.497 -1.065 0 C-N-CA 120.69 -0.404 . . . . 0.0 109.923 -173.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.574 ' CD1' HG23 ' A' ' 53' ' ' THR . 2.8 m-85 -98.54 111.73 23.99 Favored 'General case' 0 C--N 1.302 -1.46 0 CA-C-N 115.109 -0.95 . . . . 0.0 110.516 -176.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.579 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 81.4 m-85 -120.89 127.13 51.59 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 173.291 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.531 ' HA ' ' O ' ' A' ' 53' ' ' THR . 12.2 t -77.82 127.65 32.74 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 113.24 0.829 . . . . 0.0 113.24 -167.16 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.488 ' O ' ' HB3' ' A' ' 9' ' ' HIS . 0.7 OUTLIER -75.26 126.16 30.45 Favored 'General case' 0 N--CA 1.436 -1.164 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 168.717 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.488 ' HB3' ' O ' ' A' ' 8' ' ' ARG . 44.8 t60 109.69 -32.28 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 124.935 1.294 . . . . 0.0 111.597 171.505 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.762 ' SG ' HG13 ' A' ' 12' ' ' VAL . 11.7 p -128.08 -10.6 5.35 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 119.768 -0.773 . . . . 0.0 112.12 179.801 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 68.17 29.45 73.33 Favored Glycine 0 C--N 1.333 0.377 0 C-N-CA 121.296 -0.478 . . . . 0.0 114.065 174.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.762 HG13 ' SG ' ' A' ' 10' ' ' CYS . 7.7 p -88.37 146.25 6.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.347 0.594 . . . . 0.0 111.648 177.706 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -81.38 104.57 11.92 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.117 174.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -96.1 -7.69 9.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.018 0.437 . . . . 0.0 110.516 -179.046 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.489 ' N ' ' HB2' ' A' ' 5' ' ' TYR . . . . . . . . 0 N--CA 1.445 -0.758 0 C-N-CA 120.808 -0.71 . . . . 0.0 111.961 -179.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.414 HG21 ' N ' ' A' ' 34' ' ' ASN . 83.7 m . . . . . 0 CA--C 1.543 0.682 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.414 ' N ' HG21 ' A' ' 33' ' ' THR . 86.2 m-20 -81.01 -34.6 32.8 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-O 121.718 0.771 . . . . 0.0 109.367 -176.232 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.499 ' CD ' ' H ' ' A' ' 35' ' ' GLU . 1.1 pm0 -70.75 -24.09 62.54 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 114.648 -1.16 . . . . 0.0 110.168 176.261 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -59.08 -41.03 87.07 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.306 173.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 59.8 mtm180 -63.93 -33.58 76.02 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.497 176.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -77.83 -20.48 53.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.454 179.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -78.46 -16.11 57.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.71 177.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 67.4 mtt . . . . . 0 C--N 1.333 -0.131 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.693 179.26 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.439 ' O ' HG23 ' A' ' 49' ' ' VAL . 18.8 m . . . . . 0 N--CA 1.441 -0.901 0 CA-C-O 121.881 0.848 . . . . 0.0 111.284 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -119.4 95.98 5.02 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 177.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.53 ' HB ' ' O ' ' A' ' 4' ' ' HIS . 37.2 t -112.64 121.52 65.11 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.154 0 CA-C-N 115.195 -0.911 . . . . 0.0 111.599 -167.693 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.579 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 24.4 mt -97.1 118.97 34.71 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 175.624 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.574 HG23 ' CD1' ' A' ' 5' ' ' TYR . 9.4 t -134.21 -176.83 4.33 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.105 -171.791 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.482 HD12 HH21 ' A' ' 8' ' ' ARG . 20.6 mt -107.22 123.16 62.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.832 -179.192 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 13.8 p -76.19 164.16 26.36 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 176.306 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 46.3 tt0 -49.11 -47.95 44.87 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 123.381 0.426 . . . . 0.0 111.153 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -60.79 -41.73 96.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.694 -0.685 . . . . 0.0 112.025 -176.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.46 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 97.9 m -72.87 -46.25 53.87 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.918 179.199 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.58 -36.45 45.45 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 121.067 0.46 . . . . 0.0 110.632 174.334 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -72.33 -44.43 62.67 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.942 -178.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.97 -33.97 76.93 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-O 122.245 1.021 . . . . 0.0 108.611 177.195 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.46 ' HB2' ' O ' ' A' ' 58' ' ' CYS . 0.5 OUTLIER -63.66 -61.78 2.09 Favored 'General case' 0 N--CA 1.435 -1.184 0 CA-C-N 113.334 -1.757 . . . . 0.0 111.532 177.289 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.7 t70 . . . . . 0 C--N 1.314 -0.97 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.503 -179.668 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 . . . . . 0 N--CA 1.48 1.032 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 15.1 m -69.58 103.21 2.02 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.683 -179.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.402 ' HE3' ' OG1' ' A' ' 24' ' ' THR . 19.7 ptm -138.33 152.46 48.49 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.795 -178.131 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -172.74 -152.53 0.06 Allowed 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.487 -177.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.622 HD23 ' CG1' ' A' ' 49' ' ' VAL . 23.7 mt -67.53 154.14 42.08 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 176.672 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 25.4 m170 -88.59 120.14 29.7 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 107.467 -1.309 . . . . 0.0 107.467 174.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.51 ' HB2' ' N ' ' A' ' 15' ' ' GLY . 7.0 m-30 -100.47 118.26 36.32 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.765 -172.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.713 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 96.5 m-85 -126.27 130.14 50.3 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 173.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 16.3 t -76.45 143.8 40.31 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 122.04 0.924 . . . . 0.0 113.232 -166.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.527 HH21 HD13 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -67.73 119.31 12.25 Favored 'General case' 0 N--CA 1.439 -0.996 0 CA-C-N 113.457 -1.701 . . . . 0.0 109.966 172.524 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 28.9 t60 88.05 -47.22 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 114.447 -1.252 . . . . 0.0 112.849 167.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.783 ' SG ' HG12 ' A' ' 12' ' ' VAL . 1.7 p -92.17 -12.78 31.9 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 119.476 -0.89 . . . . 0.0 110.853 -173.726 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.44 32.41 79.12 Favored Glycine 0 C--N 1.332 0.344 0 CA-C-N 115.449 -0.796 . . . . 0.0 114.284 172.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.783 HG12 ' SG ' ' A' ' 10' ' ' CYS . 3.9 p -91.95 143.7 10.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 117.57 0.685 . . . . 0.0 110.976 175.53 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 34.3 mtmm -84.38 97.3 9.41 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.382 -0.827 . . . . 0.0 109.838 178.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -80.92 -16.65 12.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -175.206 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.51 ' N ' ' HB2' ' A' ' 5' ' ' TYR . . . -128.35 61.06 0.66 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.257 -179.158 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.0 t -171.69 96.26 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 179.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.486 ' HG ' ' N ' ' A' ' 18' ' ' GLU . 1.7 pt? -138.77 -43.66 0.48 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.41 0.624 . . . . 0.0 110.627 177.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.486 ' N ' ' HG ' ' A' ' 17' ' ' LEU . 10.6 pt-20 -99.83 23.9 9.11 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.826 -177.338 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.5 m -65.94 -15.83 63.33 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.399 -178.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.9 m -57.93 -40.77 81.27 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.19 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.41 ' SD ' ' N ' ' A' ' 21' ' ' MET . 1.0 OUTLIER -115.14 -24.4 8.54 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.371 0.605 . . . . 0.0 110.09 -179.299 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 59.0 t -94.0 80.07 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.773 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.549 176.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.8 m -75.24 79.07 2.35 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.795 -179.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.402 ' OG1' ' HE3' ' A' ' 1' ' ' MET . 12.0 t -132.09 5.5 4.17 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 115.157 -0.928 . . . . 0.0 109.593 176.629 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -96.81 -23.76 16.23 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.277 -173.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 24.0 t -104.08 132.28 50.49 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.924 -174.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.8 tt -79.85 138.05 37.1 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.344 178.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -74.26 77.92 0.99 Allowed Glycine 0 N--CA 1.447 -0.603 0 N-CA-C 111.711 -0.556 . . . . 0.0 111.711 177.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -51.92 -70.12 0.09 Allowed 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 122.835 0.454 . . . . 0.0 111.695 -178.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -141.64 -86.25 0.17 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.522 0.677 . . . . 0.0 110.251 179.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 13.7 t-80 -144.99 65.1 1.27 Allowed 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 114.848 -1.069 . . . . 0.0 110.253 -177.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.414 ' HB2' ' HG2' ' A' ' 36' ' ' GLU . 3.6 mm? -90.68 -85.44 0.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.862 -177.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.572 ' O ' ' HG3' ' A' ' 37' ' ' ARG . 44.3 p -111.98 -175.77 2.77 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 122.4 -0.187 . . . . 0.0 110.874 -179.754 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -64.93 -27.19 68.68 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 175.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -65.53 -47.25 76.55 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.733 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.414 ' HG2' ' HB2' ' A' ' 32' ' ' LEU . 3.4 mp0 -65.01 -34.62 78.87 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.943 177.171 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.572 ' HG3' ' O ' ' A' ' 33' ' ' THR . 90.1 mtt180 -61.8 -33.13 73.57 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.047 176.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -73.69 -40.1 63.89 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.993 0.425 . . . . 0.0 110.912 -178.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -78.92 -10.28 59.76 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.788 179.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.42 ' O ' ' HG2' ' A' ' 40' ' ' MET . 45.8 ttm -61.98 -10.54 10.0 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 122.914 0.485 . . . . 0.0 111.731 -175.441 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.445 ' C ' ' H ' ' A' ' 43' ' ' TYR . 13.2 tt -52.14 153.58 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.169 173.735 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.0 t -77.54 36.7 0.21 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.078 0.466 . . . . 0.0 111.873 -172.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.445 ' H ' ' C ' ' A' ' 41' ' ' ILE . 48.2 t80 -169.87 107.5 0.37 Allowed 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 176.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.469 ' CD ' ' HB2' ' A' ' 48' ' ' ASP . 98.6 mttt -48.03 107.6 0.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 O-C-N 124.051 0.844 . . . . 0.0 111.838 -174.014 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -74.3 -28.01 60.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.749 -178.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -63.05 -15.67 57.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.993 176.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 100.74 -24.34 32.39 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 121.055 -0.593 . . . . 0.0 113.047 174.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.469 ' HB2' ' CD ' ' A' ' 44' ' ' LYS . 33.1 t70 54.65 58.25 5.03 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 121.91 0.862 . . . . 0.0 109.131 -173.299 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.622 ' CG1' HD23 ' A' ' 3' ' ' LEU . 0.0 OUTLIER -136.31 111.34 11.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 114.837 -1.074 . . . . 0.0 111.04 -174.296 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -123.9 91.46 3.47 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 179.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.8 m -106.56 139.04 29.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.505 -173.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.713 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 10.5 mp -99.96 115.09 28.87 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.62 176.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 13.6 t -132.11 -179.64 5.54 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.519 -172.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.527 HD13 HH21 ' A' ' 8' ' ' ARG . 31.5 mt -94.77 125.49 47.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.832 -179.635 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.587 ' SG ' ' HB3' ' A' ' 57' ' ' ASP . 17.3 p -82.3 175.21 10.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.294 175.61 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -56.17 -45.52 79.67 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.045 0.45 . . . . 0.0 109.997 178.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.587 ' HB3' ' SG ' ' A' ' 55' ' ' CYS . 4.4 t70 -57.54 -49.37 76.55 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.219 -0.9 . . . . 0.0 112.061 179.75 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 92.2 m -73.34 -35.14 65.98 Favored 'General case' 0 C--O 1.218 -0.587 0 C-N-CA 120.368 -0.533 . . . . 0.0 111.067 -176.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.781 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 0.2 OUTLIER -55.72 -38.31 69.57 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-O 121.178 0.513 . . . . 0.0 109.884 170.746 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -76.97 -33.24 57.65 Favored 'General case' 0 N--CA 1.428 -1.549 0 O-C-N 121.022 -1.049 . . . . 0.0 111.394 178.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.571 ' HB2' ' CD2' ' A' ' 68' ' ' TYR . . . -56.23 -30.3 62.18 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 122.081 0.943 . . . . 0.0 108.616 167.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.781 ' HB2' ' O ' ' A' ' 59' ' ' GLN . 0.1 OUTLIER -77.06 -59.18 2.89 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 113.737 -1.574 . . . . 0.0 111.469 -178.765 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -72.79 -27.43 61.98 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.142 -0.935 . . . . 0.0 112.316 -173.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 54.2 mtm180 -92.5 -22.5 19.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 121.987 -0.446 . . . . 0.0 111.62 -178.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -133.67 126.0 18.76 Favored Pre-proline 0 C--N 1.324 -0.511 0 N-CA-C 110.229 -0.286 . . . . 0.0 110.229 179.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.05 102.88 0.08 OUTLIER 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.804 2.336 . . . . 0.0 112.699 -178.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 62.67 26.35 15.61 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.93 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.571 ' CD2' ' HB2' ' A' ' 61' ' ' ALA . 16.9 t80 53.06 66.3 1.27 Allowed 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.958 -176.762 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 63.2 m-70 65.73 -176.38 0.18 Allowed 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.888 177.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -106.01 -177.09 3.26 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.237 -179.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -76.74 -61.35 2.0 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.943 0.401 . . . . 0.0 110.233 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 23.3 t60 -152.72 -49.05 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.732 -178.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.1 m . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.562 -0.732 . . . . 0.0 111.044 -175.584 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' -1' ' ' GLN . . . . . 0.466 ' H1 ' ' CD ' ' A' ' 18' ' ' GLU . 77.9 mt-30 . . . . . 0 N--CA 1.478 0.947 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 49.2 m 64.9 46.89 2.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.387 0.613 . . . . 0.0 111.294 179.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.45 ' SD ' ' HA ' ' A' ' 16' ' ' SER . 71.8 mtm -120.84 149.09 43.12 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.172 173.208 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -117.93 -56.54 2.18 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.458 0.647 . . . . 0.0 110.333 -178.002 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.449 ' HA ' ' HB ' ' A' ' 49' ' ' VAL . 7.7 mp -117.86 153.28 33.79 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.021 178.161 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.607 ' HB2' ' O ' ' A' ' 49' ' ' VAL . 67.3 m170 -95.17 121.99 37.39 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 178.526 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.544 ' CD2' HG22 ' A' ' 53' ' ' THR . 4.2 m-30 -95.55 123.88 39.31 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 115.219 -0.901 . . . . 0.0 110.518 -176.46 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.535 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 70.9 m-85 -128.34 134.43 48.87 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 174.24 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.605 ' HB3' ' HB2' ' A' ' 10' ' ' CYS . 11.8 t -80.19 135.98 36.39 Favored 'General case' 0 CA--C 1.506 -0.724 0 CA-C-O 121.57 0.7 . . . . 0.0 112.684 -172.012 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.2 ppt_? -67.7 123.05 19.42 Favored 'General case' 0 N--CA 1.436 -1.14 0 CA-C-N 114.692 -1.14 . . . . 0.0 108.884 171.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 20.3 t-80 85.49 -7.65 0.84 Allowed 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.585 -1.188 . . . . 0.0 111.292 172.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.605 ' HB2' ' HB3' ' A' ' 7' ' ' CYS . 62.6 m -116.13 -41.86 3.12 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.152 0.501 . . . . 0.0 110.619 175.603 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 84.88 -4.83 84.45 Favored Glycine 0 N--CA 1.444 -0.803 0 C-N-CA 120.714 -0.755 . . . . 0.0 111.825 -174.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.513 HG12 ' HB2' ' A' ' 10' ' ' CYS . 2.1 p -63.19 131.9 28.85 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.504 0 CA-C-O 121.462 0.649 . . . . 0.0 111.962 -177.544 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.509 ' HD2' ' N ' ' A' ' 13' ' ' LYS . 2.1 mptp? -76.41 95.71 3.88 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 114.336 -1.302 . . . . 0.0 108.82 179.267 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -73.92 -37.4 47.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.593 -0.731 . . . . 0.0 111.034 -171.403 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.513 ' N ' ' HB2' ' A' ' 5' ' ' TYR . . . -103.92 -46.98 1.3 Allowed Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.444 -0.884 . . . . 0.0 112.754 -175.167 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.45 ' HA ' ' SD ' ' A' ' 1' ' ' MET . 2.5 p -87.55 81.17 7.83 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.423 0.63 . . . . 0.0 110.726 -178.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.514 HD21 ' H ' ' A' ' 17' ' ' LEU . 2.6 pt? -102.22 -21.18 14.42 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.145 -177.455 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.466 ' CD ' ' H1 ' ' A' ' -1' ' ' GLN . 45.4 mt-10 -62.43 -30.51 71.28 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.555 -1.202 . . . . 0.0 110.216 176.273 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.9 m -148.56 113.09 5.32 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.074 -0.966 . . . . 0.0 109.438 175.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.7 m -121.2 -19.78 6.97 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.013 -178.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -149.79 18.72 0.9 Allowed 'General case' 0 CA--C 1.515 -0.398 0 CA-C-O 122.159 0.98 . . . . 0.0 108.914 174.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 28.5 m -137.76 24.3 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 CA-C-N 113.964 -1.471 . . . . 0.0 109.822 -174.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.0 m -73.57 111.29 8.58 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.112 -0.949 . . . . 0.0 110.963 -175.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.0 p -83.37 9.06 11.85 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.457 0.646 . . . . 0.0 110.93 179.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -84.78 -19.57 32.38 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 122.071 0.939 . . . . 0.0 108.883 175.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.3 t -74.91 90.06 2.4 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.23 -1.35 . . . . 0.0 110.698 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 69.5 mt -103.28 -79.9 0.53 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.775 177.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 65.07 105.91 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.863 -0.684 . . . . 0.0 111.431 -171.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.729 ' CD2' HD11 ' A' ' 32' ' ' LEU . 20.3 m-30 -79.18 170.56 16.46 Favored 'General case' 0 N--CA 1.435 -1.198 0 CA-C-O 121.617 0.722 . . . . 0.0 109.349 -178.222 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -126.65 -49.06 1.51 Allowed 'General case' 0 C--N 1.303 -1.434 0 CA-C-N 114.689 -1.141 . . . . 0.0 111.905 -173.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 16.4 t-80 -124.19 21.37 8.84 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.058 0.456 . . . . 0.0 111.025 -173.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.729 HD11 ' CD2' ' A' ' 29' ' ' PHE . 10.4 mt -90.5 160.12 16.15 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 173.698 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.49 ' O ' ' HG3' ' A' ' 37' ' ' ARG . 7.3 t -80.12 179.81 7.43 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.969 0.414 . . . . 0.0 111.513 -171.608 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 24.4 p-10 -55.5 -52.49 63.5 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.827 -175.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.429 ' HG2' HG23 ' A' ' 33' ' ' THR . 13.1 pt-20 -64.31 -24.88 67.81 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.693 0.283 . . . . 0.0 111.145 -178.166 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.4 ' HG2' HG21 ' A' ' 33' ' ' THR . 34.7 mm-40 -76.67 -30.75 56.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.287 0.565 . . . . 0.0 110.319 177.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.49 ' HG3' ' O ' ' A' ' 33' ' ' THR . 88.2 mtt180 -84.57 -43.04 14.85 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.045 -178.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 19.3 m120 -76.67 -33.6 58.27 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -174.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -75.91 -45.66 34.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.016 0.436 . . . . 0.0 110.467 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -86.22 23.02 1.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.859 179.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.649 ' O ' ' HB2' ' A' ' 42' ' ' SER . 15.2 tt -62.89 174.36 0.38 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.646 -178.359 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.649 ' HB2' ' O ' ' A' ' 41' ' ' ILE . 21.3 m 83.96 -20.24 0.32 Allowed 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.763 0.825 . . . . 0.0 111.706 -178.297 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -75.58 44.37 0.28 Allowed 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.951 -175.114 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -103.75 -177.67 3.44 Favored 'General case' 0 C--N 1.318 -0.778 0 O-C-N 122.201 -0.312 . . . . 0.0 110.921 -175.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -62.9 -40.03 96.32 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.775 0.321 . . . . 0.0 111.6 -176.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -81.15 -17.58 49.32 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.927 0.394 . . . . 0.0 110.519 179.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.6 25.27 61.07 Favored Glycine 0 N--CA 1.451 -0.332 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.969 178.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.472 ' HB2' ' HA ' ' A' ' 42' ' ' SER . 21.0 t70 68.93 -64.77 0.31 Allowed 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.345 0.658 . . . . 0.0 111.606 -177.653 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.607 ' O ' ' HB2' ' A' ' 4' ' ' HIS . 10.5 m -65.02 94.5 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.888 0 CA-C-O 121.72 0.771 . . . . 0.0 110.845 178.305 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 36.3 t-80 -124.06 91.41 3.45 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.096 -177.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.8 m -112.1 126.85 69.54 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.802 -177.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.535 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 3.2 mm? -92.55 114.85 27.51 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.348 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.544 HG22 ' CD2' ' A' ' 5' ' ' TYR . 13.7 t -133.02 -171.04 2.58 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.568 -173.613 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -103.61 127.03 58.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.236 0.541 . . . . 0.0 111.059 -178.528 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 22.3 p -76.11 169.3 18.45 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.953 -179.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 -53.82 -42.13 68.09 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.953 0.406 . . . . 0.0 110.253 178.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -61.42 -48.38 81.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.029 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.449 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 30.5 m -61.91 -52.85 62.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.761 176.769 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -54.68 -34.21 61.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.642 -179.7 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -68.44 -46.17 70.56 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 111.79 0.293 . . . . 0.0 111.79 -179.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.41 -33.4 75.62 Favored 'General case' 0 CA--C 1.512 -0.511 0 CA-C-O 122.194 0.997 . . . . 0.0 108.531 178.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.449 ' HB2' ' O ' ' A' ' 58' ' ' CYS . 0.4 OUTLIER -65.08 -57.95 7.31 Favored 'General case' 0 N--CA 1.437 -1.076 0 CA-C-N 113.119 -1.855 . . . . 0.0 111.941 178.857 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -57.67 -37.63 73.74 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.579 -1.191 . . . . 0.0 111.268 -179.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -61.57 -63.78 1.16 Allowed 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 175.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -161.79 126.76 2.13 Favored Pre-proline 0 C--N 1.324 -0.525 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 177.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -53.2 -22.05 18.71 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 123.585 2.856 . . . . 0.0 113.747 -177.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 -84.66 64.78 8.7 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.457 0.646 . . . . 0.0 110.184 179.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.574 ' O ' ' HB2' ' A' ' 69' ' ' HIS . 23.9 p90 -89.3 22.23 2.96 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.417 179.252 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.574 ' HB2' ' O ' ' A' ' 68' ' ' TYR . 29.4 m80 80.37 83.23 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.292 0 O-C-N 123.993 0.808 . . . . 0.0 111.389 -176.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -76.41 99.02 4.73 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.928 175.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 30.3 p90 -66.04 -42.17 89.89 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.653 -0.703 . . . . 0.0 112.245 -175.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 59.3 85.6 0.1 Allowed 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.76 0.314 . . . . 0.0 110.582 -173.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 26.6 m . . . . . 0 C--O 1.247 0.946 0 CA-C-O 118.378 -0.82 . . . . 0.0 110.128 178.575 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 . . . . . 0 N--CA 1.482 1.162 0 CA-C-O 120.766 0.317 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 22.7 m -76.18 -28.54 57.34 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.411 0.624 . . . . 0.0 109.717 174.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.2 ttt -132.42 145.25 51.07 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.626 175.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -143.79 -70.02 0.31 Allowed 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.063 -178.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.483 ' HA ' ' CG2' ' A' ' 49' ' ' VAL . 6.1 mp -90.46 155.08 19.17 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.933 -176.215 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 -95.39 122.52 38.19 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.514 177.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.604 ' HB2' ' N ' ' A' ' 15' ' ' GLY . 5.7 m-30 -95.46 128.13 42.07 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.443 -179.199 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.423 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 83.6 m-85 -130.65 135.79 48.2 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 173.63 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.593 ' HB3' ' HB2' ' A' ' 10' ' ' CYS . 35.0 t -79.81 138.33 37.2 Favored 'General case' 0 CA--C 1.511 -0.528 0 CA-C-O 121.894 0.854 . . . . 0.0 113.254 -170.448 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.494 ' O ' ' HB3' ' A' ' 9' ' ' HIS . 40.3 ttp85 -55.31 116.37 2.79 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 113.578 -1.646 . . . . 0.0 109.567 166.501 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.494 ' HB3' ' O ' ' A' ' 8' ' ' ARG . 14.1 t-160 85.26 -49.24 0.08 Allowed 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.822 0.849 . . . . 0.0 111.315 173.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.593 ' HB2' ' HB3' ' A' ' 7' ' ' CYS . 62.5 m -70.51 -40.17 73.68 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.23 0.538 . . . . 0.0 110.839 179.087 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 78.74 4.83 88.32 Favored Glycine 0 N--CA 1.447 -0.57 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.654 -174.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.541 HG11 ' HB2' ' A' ' 10' ' ' CYS . 2.6 p -71.43 135.55 27.72 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.619 0 CA-C-O 121.317 0.58 . . . . 0.0 112.127 -176.461 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.566 ' H ' ' HD3' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -72.99 94.12 1.83 Allowed 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 114.889 -1.051 . . . . 0.0 109.381 179.072 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -73.33 -21.9 19.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.139 0.495 . . . . 0.0 110.028 -176.779 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.604 ' N ' ' HB2' ' A' ' 5' ' ' TYR . . . -113.24 22.41 15.7 Favored Glycine 0 N--CA 1.447 -0.592 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.776 -176.316 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.461 ' HA ' ' OG ' ' A' ' 19' ' ' SER . 10.5 t -149.51 77.02 1.33 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.885 0.85 . . . . 0.0 109.954 176.754 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.407 HD21 ' N ' ' A' ' 17' ' ' LEU . 2.2 pt? -136.84 -26.5 1.05 Allowed 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 114.393 -1.276 . . . . 0.0 109.492 178.243 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.62 -23.95 14.89 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 114.463 -1.244 . . . . 0.0 109.955 177.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.461 ' OG ' ' HA ' ' A' ' 16' ' ' SER . 1.7 p -78.23 -20.47 51.67 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.962 -1.017 . . . . 0.0 111.625 -178.749 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.9 m -52.66 -35.85 55.85 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.129 -0.941 . . . . 0.0 111.985 -178.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 67.1 mtt -107.48 16.98 23.29 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-O 121.634 0.731 . . . . 0.0 110.358 -176.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 76.0 t -115.03 128.53 72.15 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-N 115.025 -0.988 . . . . 0.0 110.021 -179.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 30.0 m -67.75 113.43 5.51 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.566 -179.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.7 m -58.5 116.68 3.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.975 -178.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -96.33 -21.7 17.65 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.447 -177.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 46.7 t -67.4 -88.85 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.62 -177.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 50.6 mt 63.4 157.63 0.07 Allowed 'General case' 0 CA--C 1.531 0.216 0 CA-C-O 121.816 0.817 . . . . 0.0 111.912 177.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -87.66 25.13 8.74 Favored Glycine 0 N--CA 1.449 -0.435 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.916 174.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -158.3 167.44 29.75 Favored 'General case' 0 N--CA 1.444 -0.738 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.426 ' HG3' ' N ' ' A' ' 31' ' ' HIS . 4.0 pt20 -95.86 -47.05 6.31 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.143 -175.068 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.426 ' N ' ' HG3' ' A' ' 30' ' ' GLN . 43.7 t-80 -175.1 56.22 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 178.135 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.9 mp -81.2 -176.08 5.78 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.055 -177.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.3 p -68.89 170.88 8.85 Favored 'General case' 0 N--CA 1.446 -0.646 0 N-CA-C 112.651 0.611 . . . . 0.0 112.651 -174.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 25.7 m-80 -59.64 -39.93 86.0 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.67 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -61.29 -25.99 67.48 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.645 -177.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -71.32 -45.62 62.57 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 120.901 0.382 . . . . 0.0 110.4 179.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -76.29 -26.43 55.88 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-O 120.89 0.376 . . . . 0.0 111.092 -178.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -72.36 -39.13 68.31 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 175.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -78.25 -58.12 3.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.756 0.312 . . . . 0.0 111.715 -179.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 43.5 ttp -84.46 -5.97 59.33 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.92 -173.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 49.6 mm 69.76 -74.53 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.283 178.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 50.7 m -150.27 -64.12 0.21 Allowed 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 178.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 66.6 t80 67.3 128.9 0.02 OUTLIER 'General case' 0 C--N 1.334 -0.092 0 O-C-N 124.147 0.904 . . . . 0.0 111.594 179.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -90.37 122.8 33.57 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.676 174.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.43 ' C ' ' H ' ' A' ' 47' ' ' GLY . 43.0 tt0 -63.57 -11.41 24.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.095 -179.584 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -74.99 18.92 0.16 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.587 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.43 ' H ' ' C ' ' A' ' 45' ' ' GLU . . . 85.29 25.61 39.3 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 121.046 -0.597 . . . . 0.0 112.249 179.252 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 32.0 t70 61.13 113.83 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.5 0.666 . . . . 0.0 110.864 -173.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.483 ' CG2' ' HA ' ' A' ' 3' ' ' LEU . 1.5 m -114.52 93.98 2.86 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 CA-C-O 121.609 0.718 . . . . 0.0 111.287 -172.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -119.69 103.33 9.29 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.437 -177.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.6 m -119.22 142.33 34.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.126 0.489 . . . . 0.0 111.515 -177.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.423 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 84.8 mt -103.24 133.48 48.26 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.668 177.775 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.557 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 14.6 t -152.51 179.65 8.39 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.155 -177.278 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -91.56 128.91 42.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.186 179.077 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 20.6 p -73.04 162.97 28.84 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.907 178.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -53.77 -39.82 65.73 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.968 0.413 . . . . 0.0 110.35 -178.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -63.44 -46.7 85.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.206 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.648 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 11.0 m -57.69 -50.39 73.36 Favored 'General case' 0 C--O 1.223 -0.329 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 174.442 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -51.78 -43.86 63.18 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.242 176.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -67.81 -46.42 71.94 Favored 'General case' 0 N--CA 1.436 -1.16 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.864 -177.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.57 -32.62 73.5 Favored 'General case' 0 CA--C 1.504 -0.813 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 -178.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.648 ' HB2' ' O ' ' A' ' 58' ' ' CYS . 0.6 OUTLIER -60.69 -56.61 19.2 Favored 'General case' 0 N--CA 1.431 -1.379 0 CA-C-N 113.838 -1.528 . . . . 0.0 111.675 179.035 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -67.6 -31.09 70.9 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.008 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 76.4 ttt180 -73.2 -47.78 40.7 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.725 178.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 31.7 t30 -138.87 111.53 8.09 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.717 -177.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -61.62 -21.26 71.63 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 123.02 2.48 . . . . 0.0 112.063 177.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 39.2 m-70 -95.78 52.42 1.34 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.493 179.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -54.27 114.77 1.76 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.459 -174.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 41.0 t-80 -70.85 107.02 3.82 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.508 178.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.429 ' HB3' ' CE1' ' A' ' 9' ' ' HIS . 37.2 mt-10 -121.63 5.11 10.07 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.41 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 46.5 t80 69.61 -75.69 0.07 Allowed 'General case' 0 N--CA 1.464 0.23 0 O-C-N 123.804 0.69 . . . . 0.0 110.544 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 59.82 94.01 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 123.131 0.572 . . . . 0.0 111.64 178.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.3 m . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.301 -0.857 . . . . 0.0 110.314 178.432 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 . . . . . 0 N--CA 1.48 1.063 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 1.4 m -122.12 42.16 3.21 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.905 0.383 . . . . 0.0 110.728 -175.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.4 ppp? -150.24 159.84 44.14 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.997 0.427 . . . . 0.0 111.231 -178.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.45 ' O ' HG23 ' A' ' 49' ' ' VAL . . . -140.31 -52.16 0.49 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.629 176.049 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.418 ' HA ' ' CG2' ' A' ' 49' ' ' VAL . 6.5 mp -111.28 155.79 22.48 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 114.833 -1.076 . . . . 0.0 108.717 174.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 50.1 m80 -88.31 121.41 30.68 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-O 121.359 0.6 . . . . 0.0 109.426 178.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.543 ' CD1' HG21 ' A' ' 53' ' ' THR . 2.8 m-30 -93.42 117.62 30.3 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-N 114.917 -1.038 . . . . 0.0 109.972 -178.678 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -121.44 143.94 48.96 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-O 121.441 0.639 . . . . 0.0 109.955 174.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.614 ' HB3' ' O ' ' A' ' 12' ' ' VAL . 0.0 OUTLIER -81.58 121.56 26.47 Favored 'General case' 0 N--CA 1.434 -1.228 0 CA-C-N 114.988 -1.006 . . . . 0.0 111.988 -172.555 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.498 ' HG2' ' O ' ' A' ' 53' ' ' THR . 5.6 ptm180 -61.3 125.14 22.68 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 114.331 -1.304 . . . . 0.0 109.975 166.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 21.0 t60 86.57 -59.62 0.05 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.122 -0.945 . . . . 0.0 113.12 168.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -81.32 -22.16 38.7 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 119.658 -0.817 . . . . 0.0 110.714 -172.235 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.435 ' N ' ' SG ' ' A' ' 7' ' ' CYS . . . 84.14 22.39 54.86 Favored Glycine 0 C--N 1.332 0.332 0 C-N-CA 121.229 -0.51 . . . . 0.0 114.315 172.293 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.614 ' O ' ' HB3' ' A' ' 7' ' ' CYS . 2.0 p -94.25 137.35 23.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 117.83 0.815 . . . . 0.0 112.22 179.466 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.478 ' HD2' ' H ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -79.75 107.32 12.43 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.628 -178.83 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -93.6 -5.09 10.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.647 -175.63 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -100.67 4.96 56.63 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.457 -0.878 . . . . 0.0 112.683 -177.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.3 p -128.24 86.12 2.42 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.025 0.441 . . . . 0.0 111.057 -177.106 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -113.25 -18.18 12.15 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.402 0.62 . . . . 0.0 109.377 177.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -80.53 69.92 7.12 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.826 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.455 ' C ' ' H ' ' A' ' 21' ' ' MET . 45.9 p -122.22 172.09 8.54 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.656 177.172 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.9 t 73.55 -36.11 0.34 Allowed 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 123.288 0.635 . . . . 0.0 111.1 -179.031 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.455 ' H ' ' C ' ' A' ' 19' ' ' SER . 90.0 mtp -90.39 12.71 17.6 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.266 0.555 . . . . 0.0 110.743 179.037 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.427 HG21 ' H ' ' A' ' 24' ' ' THR . 6.4 p -144.09 130.98 16.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.586 -178.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.0 t -118.11 16.96 14.12 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.811 0.815 . . . . 0.0 109.488 178.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.427 ' H ' HG21 ' A' ' 22' ' ' VAL . 41.7 m -132.26 87.15 2.4 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.818 -1.083 . . . . 0.0 110.454 178.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -90.96 -32.35 16.0 Favored 'General case' 0 CA--C 1.514 -0.433 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 176.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.3 t -66.09 102.8 0.86 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.887 -1.051 . . . . 0.0 109.607 175.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 34.1 mt 64.07 96.17 0.04 OUTLIER 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 121.916 0.865 . . . . 0.0 110.279 -175.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -93.96 78.88 1.0 Allowed Glycine 0 N--CA 1.445 -0.724 0 CA-C-N 114.766 -1.107 . . . . 0.0 112.986 -171.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 7.3 p90 -147.19 -168.7 3.12 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 173.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -138.35 -47.0 0.51 Allowed 'General case' 0 C--N 1.317 -0.823 0 C-N-CA 120.743 -0.383 . . . . 0.0 111.216 -175.51 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.477 ' O ' HD22 ' A' ' 32' ' ' LEU . 53.7 t-80 -164.41 103.08 0.84 Allowed 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.465 176.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.477 HD22 ' O ' ' A' ' 31' ' ' HIS . 42.6 mt -132.0 153.63 50.16 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.077 -174.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.524 ' O ' ' HB3' ' A' ' 36' ' ' GLU . 51.5 m -130.06 -81.0 0.55 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.68 0.276 . . . . 0.0 111.038 -178.349 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -81.48 -24.24 36.87 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 173.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -67.5 -42.44 82.85 Favored 'General case' 0 C--O 1.215 -0.74 0 CA-C-N 114.087 -1.415 . . . . 0.0 108.561 173.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.524 ' HB3' ' O ' ' A' ' 33' ' ' THR . 5.9 tp10 -48.63 -43.34 36.36 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.031 -1.44 . . . . 0.0 110.488 175.614 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -66.68 -43.5 84.27 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.354 -179.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -78.34 -42.69 29.85 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -176.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.578 ' O ' ' HB3' ' A' ' 43' ' ' TYR . 3.8 m-20 -70.12 -27.95 64.99 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.819 -175.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 31.4 tpp -79.66 22.41 0.47 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.489 0.661 . . . . 0.0 110.596 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.438 ' H ' ' C ' ' A' ' 39' ' ' ASP . 39.6 mm -108.27 -73.96 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.773 178.102 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.418 ' HB3' ' OD2' ' A' ' 48' ' ' ASP . 13.9 m -107.49 -13.53 15.06 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.136 0.493 . . . . 0.0 110.986 -174.494 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.578 ' HB3' ' O ' ' A' ' 39' ' ' ASP . 40.6 t80 -85.8 -18.86 31.76 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.507 -178.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 64.0 pttt -72.89 -179.93 3.41 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.376 0.608 . . . . 0.0 111.981 -174.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -70.15 -10.69 59.6 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.495 -0.775 . . . . 0.0 112.949 -169.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -57.06 -22.32 38.18 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.375 0.607 . . . . 0.0 110.121 177.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 106.38 -37.41 3.83 Favored Glycine 0 N--CA 1.446 -0.695 0 CA-C-O 118.548 -1.14 . . . . 0.0 114.09 168.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.418 ' OD2' ' HB3' ' A' ' 42' ' ' SER . 29.0 t70 23.34 -84.62 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 124.533 1.133 . . . . 0.0 113.914 -177.224 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 2' ' ' ALA . 2.7 m -61.55 94.06 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 CA-C-O 121.195 0.522 . . . . 0.0 110.989 176.475 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -125.2 106.6 10.01 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.493 -176.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 10.1 m -120.04 137.5 53.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.124 0.488 . . . . 0.0 111.583 -177.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -93.98 114.46 26.65 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.366 176.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.543 HG21 ' CD1' ' A' ' 5' ' ' TYR . 14.8 t -125.64 172.93 9.35 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 120.955 0.407 . . . . 0.0 110.666 -175.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.448 HG13 ' HD3' ' A' ' 8' ' ' ARG . 6.7 mt -85.43 112.78 22.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.024 178.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.434 ' HB3' ' HB2' ' A' ' 7' ' ' CYS . 7.4 p -77.8 177.67 7.99 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 174.056 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -66.1 -31.38 72.21 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 118.639 0.654 . . . . 0.0 110.769 179.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -70.75 -36.38 73.11 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 176.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.412 ' SG ' ' O ' ' A' ' 8' ' ' ARG . 54.0 m -60.69 -51.22 70.28 Favored 'General case' 0 C--O 1.226 -0.147 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 172.061 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 22.6 tp60 -50.86 -35.3 31.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.367 -1.288 . . . . 0.0 111.422 176.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -76.45 -41.03 48.85 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.28 -179.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.6 -31.08 70.26 Favored 'General case' 0 CA--C 1.508 -0.653 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 175.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.2 mp -69.99 -60.02 2.56 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 113.58 -1.646 . . . . 0.0 111.26 177.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -60.29 -42.01 94.56 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 113.97 -1.468 . . . . 0.0 112.199 -178.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 30.0 tpt180 -69.85 -63.66 1.03 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.878 0.371 . . . . 0.0 110.876 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -105.84 119.15 53.36 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.095 -176.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo -68.04 57.01 0.83 Allowed 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 123.207 2.605 . . . . 0.0 113.592 -177.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 28.8 m-70 -125.84 87.89 2.76 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 175.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.4 ' CE2' ' HA ' ' A' ' 70' ' ' GLU . 24.3 p90 -144.15 179.98 6.88 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.071 -0.968 . . . . 0.0 108.999 -175.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 13.3 m-70 -80.11 78.46 6.75 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.017 0.437 . . . . 0.0 110.482 178.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.4 ' HA ' ' CE2' ' A' ' 68' ' ' TYR . 9.9 pt-20 -64.57 111.75 2.86 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.831 -179.731 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 37.8 p90 -78.0 -28.64 49.25 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.322 -179.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 27.0 t-80 -162.26 102.1 1.1 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.258 -179.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 32.8 m . . . . . 0 C--O 1.251 1.146 0 CA-C-O 118.86 -0.59 . . . . 0.0 109.857 177.215 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 . . . . . 0 N--CA 1.479 1.022 0 CA-C-O 120.699 0.285 . . . . 0.0 110.82 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 24.3 m -153.93 34.64 0.44 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.001 0.429 . . . . 0.0 110.882 -178.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.1 ttm -103.26 161.76 13.55 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 175.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.422 ' O ' ' HA ' ' A' ' 48' ' ' ASP . . . 73.86 -60.05 0.54 Allowed 'General case' 0 N--CA 1.471 0.583 0 O-C-N 123.98 0.8 . . . . 0.0 110.898 -175.632 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.466 ' HG ' ' CG2' ' A' ' 49' ' ' VAL . 1.1 mp -96.69 157.32 15.96 Favored 'General case' 0 C--N 1.312 -1.023 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 173.47 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.505 ' O ' ' HB ' ' A' ' 51' ' ' VAL . 83.2 m-70 -111.74 130.84 55.66 Favored 'General case' 0 C--N 1.309 -1.178 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.111 -173.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.579 ' CD2' HG21 ' A' ' 53' ' ' THR . 3.8 m-85 -101.56 106.21 17.26 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.28 -172.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -116.19 137.29 52.26 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 115.1 -0.954 . . . . 0.0 108.931 172.039 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.476 ' HA ' ' O ' ' A' ' 53' ' ' THR . 1.4 t -73.44 128.42 35.45 Favored 'General case' 0 C--N 1.309 -1.176 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.08 -177.214 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -78.83 120.57 23.64 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.052 164.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 47.4 t-80 103.24 -64.13 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 125.25 1.42 . . . . 0.0 112.384 175.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -81.2 -18.02 47.6 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 119.915 -0.714 . . . . 0.0 110.463 -174.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 75.81 18.66 79.5 Favored Glycine 0 C--N 1.34 0.783 0 C-N-CA 120.834 -0.698 . . . . 0.0 113.631 172.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.6 p -93.82 142.84 12.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 121.522 0.677 . . . . 0.0 112.047 179.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 32.8 mtmm -81.84 112.48 19.01 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.213 179.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -89.83 -16.78 8.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -171.36 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -100.6 -56.06 0.93 Allowed Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.086 -1.054 . . . . 0.0 111.945 -177.121 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 68.3 m -99.9 117.66 34.67 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 120.944 0.402 . . . . 0.0 110.687 178.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -109.87 -13.67 14.41 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.797 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -81.75 133.87 35.39 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.293 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 69.4 m -114.61 -15.17 12.01 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.697 172.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.3 m -67.35 -64.17 0.91 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.986 0.422 . . . . 0.0 110.495 178.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 62.2 mtt -108.75 88.68 2.79 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 175.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.6 p -124.59 7.69 4.65 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.936 0 CA-C-N 115.087 -0.961 . . . . 0.0 111.13 -172.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 32.8 t -67.13 -20.75 65.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.166 0.507 . . . . 0.0 110.357 178.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 10.2 t -79.68 -8.24 59.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.669 178.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -97.62 -15.76 20.31 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-O 121.906 0.86 . . . . 0.0 108.723 -176.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.3 t -158.71 99.48 1.56 Allowed 'General case' 0 N--CA 1.44 -0.961 0 CA-C-N 114.459 -1.246 . . . . 0.0 111.008 -172.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.547 ' HB3' ' CE1' ' A' ' 29' ' ' PHE . 36.2 mt 67.71 94.29 0.07 Allowed 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.916 0.865 . . . . 0.0 111.738 177.527 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -110.67 74.97 0.21 Allowed Glycine 0 C--N 1.312 -0.76 0 CA-C-N 114.568 -1.196 . . . . 0.0 111.733 -178.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.547 ' CE1' ' HB3' ' A' ' 27' ' ' LEU . 47.8 m-85 -86.43 -165.29 1.22 Allowed 'General case' 0 N--CA 1.442 -0.857 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -131.34 -67.53 0.69 Allowed 'General case' 0 C--N 1.311 -1.08 0 CA-C-O 121.558 0.694 . . . . 0.0 109.341 177.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 50.7 t-80 -96.79 94.82 7.48 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 114.843 -1.071 . . . . 0.0 109.844 177.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.504 ' HA ' ' HB2' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -148.0 148.81 31.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 122.587 1.184 . . . . 0.0 113.761 178.592 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.8 t -143.69 -160.79 1.16 Allowed 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 112.763 -2.017 . . . . 0.0 106.52 171.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -50.51 -47.2 57.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 118.446 0.566 . . . . 0.0 111.604 -178.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -70.7 -39.61 73.34 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.933 -176.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.504 ' HB2' ' HA ' ' A' ' 32' ' ' LEU . 5.7 mm-40 -75.75 -28.99 58.7 Favored 'General case' 0 C--O 1.223 -0.338 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 -176.542 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 53.8 ttp180 -56.54 -45.62 81.08 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.886 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.457 ' O ' HG21 ' A' ' 41' ' ' ILE . 57.9 t30 -79.24 -38.31 35.91 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.394 179.508 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -76.61 -40.84 48.12 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.087 0.402 . . . . 0.0 112.087 -173.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 87.7 mmm -79.38 -27.5 41.91 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 111.851 0.315 . . . . 0.0 111.851 -175.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.457 HG21 ' O ' ' A' ' 38' ' ' ASN . 9.8 tt -62.47 134.22 27.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 121.562 0.696 . . . . 0.0 110.405 -177.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.7 p -165.89 58.39 0.11 Allowed 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 115.059 -0.973 . . . . 0.0 108.412 179.045 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 30.6 t80 75.18 172.03 0.27 Allowed 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 114.753 -1.112 . . . . 0.0 109.043 -172.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.574 ' HB3' ' OD1' ' A' ' 48' ' ' ASP . 0.9 OUTLIER -73.14 131.97 42.68 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.153 0.502 . . . . 0.0 110.377 179.865 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -60.58 -24.66 65.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.019 -0.991 . . . . 0.0 113.384 -167.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.444 ' HB2' ' OD1' ' A' ' 48' ' ' ASP . 34.5 m-80 -88.28 0.67 55.87 Favored 'General case' 0 C--N 1.321 -0.64 0 O-C-N 122.126 -0.359 . . . . 0.0 111.963 -170.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.31 27.45 67.98 Favored Glycine 0 N--CA 1.451 -0.366 0 N-CA-C 109.893 -1.283 . . . . 0.0 109.893 -172.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.574 ' OD1' ' HB3' ' A' ' 44' ' ' LYS . 3.2 m-20 -49.79 158.03 0.52 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 114.107 -1.047 . . . . 0.0 112.751 -174.522 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.466 ' CG2' ' HG ' ' A' ' 3' ' ' LEU . 4.0 t -125.27 111.03 26.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.17 -179.326 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 12.9 t60 -73.74 114.75 12.37 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 177.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.505 ' HB ' ' O ' ' A' ' 4' ' ' HIS . 14.5 t -127.91 126.2 66.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.791 -168.261 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.1 mt -95.42 109.3 21.5 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 173.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.579 HG21 ' CD2' ' A' ' 5' ' ' TYR . 8.2 t -123.22 160.21 27.06 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.157 -174.342 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.5 mt -86.62 113.89 25.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-O 121.593 0.711 . . . . 0.0 109.875 179.04 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 5.3 p -78.84 164.09 24.77 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 114.896 -1.047 . . . . 0.0 108.783 177.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.416 ' HA ' ' HB3' ' A' ' 59' ' ' GLN . 31.7 tt0 -50.2 -37.05 33.3 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -173.579 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -58.95 -49.45 77.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.522 0.201 . . . . 0.0 111.526 -178.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -74.52 -34.09 62.93 Favored 'General case' 0 C--O 1.218 -0.598 0 C-N-CA 120.435 -0.506 . . . . 0.0 109.723 178.57 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.739 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 24.2 tp60 -56.25 -35.54 67.51 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 122.982 0.513 . . . . 0.0 112.299 173.062 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -78.2 -39.9 39.2 Favored 'General case' 0 C--N 1.315 -0.901 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.756 176.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -52.93 -31.36 39.72 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 122.308 1.051 . . . . 0.0 109.082 168.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.739 ' HB2' ' O ' ' A' ' 59' ' ' GLN . 0.2 OUTLIER -71.19 -60.82 2.02 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 113.424 -1.716 . . . . 0.0 111.36 -179.759 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -69.92 -37.73 76.03 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.62 -1.173 . . . . 0.0 111.59 -173.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.465 ' HG3' ' O ' ' A' ' 66' ' ' PRO . 31.2 tpt180 -123.13 83.31 2.11 Favored 'General case' 0 N--CA 1.437 -1.116 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.721 -177.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.3 -47.53 97.99 Favored Pre-proline 0 CA--C 1.535 0.388 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.347 174.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.465 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 38.7 Cg_exo -59.33 140.69 95.66 Favored 'Trans proline' 0 C--N 1.357 1.009 0 C-N-CA 121.889 1.726 . . . . 0.0 111.611 173.39 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.43 ' HB2' ' O ' ' A' ' 66' ' ' PRO . 21.1 m-70 71.45 10.74 6.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.602 -177.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -127.16 135.81 51.21 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 171.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 15.5 m-70 -77.5 98.4 5.32 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.837 177.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -82.48 159.25 22.93 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.986 -175.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 43.3 m-85 -139.12 170.87 15.18 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.344 -0.843 . . . . 0.0 109.82 178.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 51.3 t60 -77.23 62.66 2.33 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.234 0.54 . . . . 0.0 110.315 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.8 t . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.245 -0.883 . . . . 0.0 109.893 179.141 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 . . . . . 0 N--CA 1.481 1.098 0 N-CA-C 110.67 -0.122 . . . . 0.0 110.67 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 61.9 m 57.95 58.02 3.82 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.359 0.6 . . . . 0.0 110.962 -178.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 85.0 mmm -110.71 147.29 34.68 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.623 178.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.568 ' O ' HG22 ' A' ' 49' ' ' VAL . . . -152.97 -72.05 0.14 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.829 179.639 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.469 ' HA ' ' HB ' ' A' ' 49' ' ' VAL . 5.7 mp -122.55 156.9 33.24 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.19 -0.671 . . . . 0.0 109.19 176.657 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.486 ' HB2' ' O ' ' A' ' 49' ' ' VAL . 27.2 m170 -111.41 121.63 45.72 Favored 'General case' 0 CA--C 1.5 -0.966 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 -173.785 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.705 ' HB2' ' N ' ' A' ' 15' ' ' GLY . 3.0 m-30 -99.53 128.73 45.65 Favored 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.124 -177.196 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.48 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 78.6 m-85 -130.29 124.28 32.0 Favored 'General case' 0 C--N 1.313 -0.99 0 N-CA-C 107.518 -1.29 . . . . 0.0 107.518 174.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.616 ' HB3' ' HB2' ' A' ' 10' ' ' CYS . 42.4 t -73.28 142.94 47.18 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 113.653 0.983 . . . . 0.0 113.653 -164.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.463 ' O ' ' HB3' ' A' ' 9' ' ' HIS . 16.9 ttp85 -58.18 114.86 2.58 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 113.654 -1.612 . . . . 0.0 109.627 167.64 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.463 ' HB3' ' O ' ' A' ' 8' ' ' ARG . 16.2 t-80 84.0 -27.43 0.1 Allowed 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.789 0.835 . . . . 0.0 112.283 172.49 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.616 ' HB2' ' HB3' ' A' ' 7' ' ' CYS . 60.7 m -94.44 -32.91 13.33 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.254 0.55 . . . . 0.0 110.901 178.198 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 73.07 0.73 53.79 Favored Glycine 0 N--CA 1.446 -0.688 0 CA-C-N 115.498 -0.774 . . . . 0.0 112.053 -173.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.589 HG12 ' HB2' ' A' ' 10' ' ' CYS . 3.2 p -69.2 136.69 25.78 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 CA-C-O 121.456 0.646 . . . . 0.0 112.091 -174.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.512 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 50.9 mttm -75.79 95.12 3.4 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.682 -1.145 . . . . 0.0 110.035 -177.277 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -81.46 -12.91 12.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.522 -177.684 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.705 ' N ' ' HB2' ' A' ' 5' ' ' TYR . . . -135.3 45.56 1.09 Allowed Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.932 -0.651 . . . . 0.0 111.73 -176.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.0 t -164.84 87.3 0.44 Allowed 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 178.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.415 ' H ' HD23 ' A' ' 17' ' ' LEU . 1.2 pt? -114.14 -21.19 10.63 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.608 -177.597 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -84.2 42.85 0.9 Allowed 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.232 177.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.422 ' HA ' ' O ' ' A' ' 22' ' ' VAL . 42.5 m -102.62 -2.54 28.18 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.58 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.2 m -55.16 -58.45 7.64 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 114.515 -1.221 . . . . 0.0 112.546 -175.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 25.8 ptm -100.3 -14.86 18.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.078 0.466 . . . . 0.0 110.464 -177.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.422 ' O ' ' HA ' ' A' ' 19' ' ' SER . 6.0 p -133.81 104.65 6.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 121.454 0.645 . . . . 0.0 110.624 -178.587 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.411 ' C ' ' H ' ' A' ' 25' ' ' ASP . 41.1 m -60.91 119.64 8.63 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.136 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.3 m -81.75 21.05 0.87 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.855 0.836 . . . . 0.0 110.606 -175.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.411 ' H ' ' C ' ' A' ' 23' ' ' SER . 7.6 m-20 -92.24 -16.02 26.72 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.19 -0.914 . . . . 0.0 108.708 176.697 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 42.6 t -58.69 140.16 55.09 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 114.393 -1.276 . . . . 0.0 111.126 -179.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.1 mp -73.29 164.54 26.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.095 177.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -78.44 59.82 4.03 Favored Glycine 0 N--CA 1.454 -0.159 0 C-N-CA 121.086 -0.578 . . . . 0.0 113.426 -174.002 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -117.72 -126.5 0.28 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 176.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.597 HE21 ' HA ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -125.67 -84.36 0.63 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.666 0.27 . . . . 0.0 110.336 176.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 12.6 t60 -123.7 88.27 2.88 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 178.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -101.49 163.57 12.2 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.521 0.677 . . . . 0.0 111.352 -174.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.404 ' O ' ' HG2' ' A' ' 37' ' ' ARG . 41.4 p -132.88 -169.4 2.25 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 114.596 -1.184 . . . . 0.0 109.113 178.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 10.4 p30 -58.63 -26.73 64.02 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.214 0.531 . . . . 0.0 109.866 173.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -76.34 -54.67 6.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.436 -178.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -65.7 -32.21 73.64 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.153 -0.93 . . . . 0.0 111.589 -172.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.414 ' O ' ' HB ' ' A' ' 41' ' ' ILE . 14.0 ptm180 -73.16 -24.5 60.58 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-O 121.08 0.467 . . . . 0.0 110.665 179.419 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -74.22 -52.2 13.1 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.428 -178.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -78.54 -30.36 46.91 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.041 -175.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 24.6 mmt -103.52 22.59 14.02 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 121.22 -0.192 . . . . 0.0 111.374 -179.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.414 ' HB ' ' O ' ' A' ' 37' ' ' ARG . 11.3 tp -60.85 119.98 5.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.904 0.859 . . . . 0.0 110.72 -177.303 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 18.2 t -161.69 23.88 0.12 Allowed 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.16 -0.927 . . . . 0.0 108.51 177.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.412 ' HB3' ' H ' ' A' ' 44' ' ' LYS . 10.5 t80 58.8 -94.64 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.3 -1.318 . . . . 0.0 111.251 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.413 ' CG ' ' HB2' ' A' ' 48' ' ' ASP . 20.5 mmtm -141.2 127.75 20.11 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 175.667 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -68.82 -14.63 63.15 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.933 0.396 . . . . 0.0 111.365 -179.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -93.02 0.75 57.45 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.726 178.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.56 -11.12 71.07 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.006 -177.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.413 ' HB2' ' CG ' ' A' ' 44' ' ' LYS . 38.8 t70 69.1 153.28 0.1 Allowed 'General case' 0 N--CA 1.463 0.207 0 C-N-CA 123.999 0.92 . . . . 0.0 111.377 -179.584 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.568 HG22 ' O ' ' A' ' 2' ' ' ALA . 2.1 m -113.63 89.49 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.938 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 175.019 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -110.83 97.68 7.02 Favored 'General case' 0 C--N 1.319 -0.717 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.448 ' HB ' ' O ' ' A' ' 4' ' ' HIS . 71.8 t -113.86 120.49 63.83 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.262 0 CA-C-N 114.856 -1.065 . . . . 0.0 111.257 -167.289 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.48 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 57.7 mt -95.96 130.87 42.82 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 176.447 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.531 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 13.8 t -155.29 -176.23 5.84 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 -177.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -95.01 127.76 46.72 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-O 121.106 0.479 . . . . 0.0 111.073 -178.342 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.68 ' SG ' ' HB3' ' A' ' 57' ' ' ASP . 18.8 p -74.19 164.5 26.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.904 176.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.402 ' HA ' ' HB3' ' A' ' 59' ' ' GLN . 35.3 tt0 -54.94 -38.78 68.13 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.794 0.33 . . . . 0.0 110.389 178.738 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.68 ' HB3' ' SG ' ' A' ' 55' ' ' CYS . 14.5 t70 -55.89 -49.8 72.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 176.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 57.7 m -66.25 -43.96 85.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.12 0.486 . . . . 0.0 110.626 176.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.402 ' HB3' ' HA ' ' A' ' 56' ' ' GLU . 50.7 tp60 -50.98 -35.71 35.25 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.033 -0.985 . . . . 0.0 111.37 175.637 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -73.94 -39.84 63.49 Favored 'General case' 0 N--CA 1.438 -1.066 0 CA-C-N 116.051 -0.522 . . . . 0.0 112.015 -179.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.452 ' O ' ' HD2' ' A' ' 66' ' ' PRO . . . -65.06 -32.86 74.79 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 122.147 0.975 . . . . 0.0 108.454 176.067 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.3 mp -62.39 -59.7 4.61 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-N 113.444 -1.707 . . . . 0.0 111.691 178.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -66.01 -15.57 63.14 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 114.382 -1.281 . . . . 0.0 111.294 179.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 53.4 ttp180 -72.49 -73.93 0.18 Allowed 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -176.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.405 ' HB2' ' HD3' ' A' ' 66' ' ' PRO . 94.9 m-20 -123.26 -60.95 0.03 OUTLIER Pre-proline 0 CA--C 1.536 0.418 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 -173.009 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.468 ' HB2' ' H ' ' A' ' 67' ' ' HIS . 44.5 Cg_endo -83.34 -150.82 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 C-N-CA 121.385 1.39 . . . . 0.0 112.281 -172.137 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.468 ' H ' ' HB2' ' A' ' 66' ' ' PRO . 1.9 p80 -152.2 114.88 4.58 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.284 0.564 . . . . 0.0 111.317 -175.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -111.55 -51.08 2.88 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 174.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 63.1 t60 -94.41 104.2 16.18 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 114.651 -1.159 . . . . 0.0 108.919 178.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.498 ' HB3' ' CE1' ' A' ' 72' ' ' HIS . 23.7 mm-40 -72.46 84.17 1.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.113 -176.088 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -82.16 -32.89 29.79 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.603 177.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.498 ' CE1' ' HB3' ' A' ' 70' ' ' GLU . 30.7 m170 51.96 87.17 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.242 0 O-C-N 123.667 0.604 . . . . 0.0 111.744 178.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.6 t . . . . . 0 C--O 1.247 0.969 0 CA-C-O 118.422 -0.799 . . . . 0.0 109.918 178.394 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 . . . . . 0 N--CA 1.478 0.957 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 20.4 m -78.64 -76.32 0.2 Allowed 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 121.045 -0.262 . . . . 0.0 110.611 -179.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.5 mtt -144.53 165.06 29.06 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 177.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -72.56 -51.95 17.65 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.28 0.562 . . . . 0.0 110.735 -179.244 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.42 ' HA ' ' CB ' ' A' ' 49' ' ' VAL . 6.5 mp -129.99 155.4 46.16 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.453 179.655 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.604 ' HB2' ' O ' ' A' ' 49' ' ' VAL . 42.1 m170 -101.52 125.75 48.22 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.039 178.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.692 ' HB2' ' N ' ' A' ' 15' ' ' GLY . 10.0 m-30 -91.9 133.63 35.5 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.178 -177.245 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.581 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 89.2 m-85 -133.38 126.2 30.79 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 173.296 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.645 ' HB3' ' HB2' ' A' ' 10' ' ' CYS . 9.9 t -75.11 139.81 43.0 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 114.063 1.134 . . . . 0.0 114.063 -166.228 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.53 117.97 8.14 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 113.116 -1.856 . . . . 0.0 109.634 169.171 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 24.4 t-80 80.59 6.16 1.54 Allowed 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 115.327 -0.852 . . . . 0.0 111.19 171.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.645 ' HB2' ' HB3' ' A' ' 7' ' ' CYS . 61.0 m -129.08 -38.56 1.61 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.944 0.402 . . . . 0.0 111.378 177.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 80.66 -1.67 82.02 Favored Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.787 -0.72 . . . . 0.0 111.999 -175.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.542 HG12 ' HB2' ' A' ' 10' ' ' CYS . 1.6 p -71.85 131.37 34.72 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.447 0 CA-C-O 121.392 0.615 . . . . 0.0 112.113 -177.567 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.0 mtpm? -72.36 95.37 1.73 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.703 -1.135 . . . . 0.0 109.437 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -80.06 -12.86 13.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 121.132 0.491 . . . . 0.0 110.46 -176.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.692 ' N ' ' HB2' ' A' ' 5' ' ' TYR . . . -133.75 100.53 0.39 Allowed Glycine 0 N--CA 1.442 -0.952 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.375 -179.106 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.416 ' HB3' ' O ' ' A' ' 15' ' ' GLY . 46.9 t 74.81 106.78 0.07 Allowed 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.622 0.725 . . . . 0.0 110.821 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.408 HD23 ' H ' ' A' ' 17' ' ' LEU . 1.4 pt? -114.89 -18.52 11.27 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 175.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.411 ' O ' ' HB2' ' A' ' 19' ' ' SER . 45.3 mt-10 -97.65 162.4 13.3 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 114.615 -1.175 . . . . 0.0 109.212 174.656 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.411 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 74.4 m 70.6 6.95 6.04 Favored 'General case' 0 N--CA 1.466 0.335 0 O-C-N 123.51 0.506 . . . . 0.0 112.128 178.326 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.7 p -68.12 -41.66 81.39 Favored 'General case' 0 C--N 1.315 -0.935 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.933 -176.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 27.1 ptm -119.98 4.31 10.94 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.352 0.596 . . . . 0.0 109.864 -179.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 95.1 t -66.97 -22.53 29.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.068 -0.969 . . . . 0.0 109.89 176.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.4 p -63.41 99.68 0.21 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.388 175.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.0 t -100.99 9.48 42.2 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.038 -174.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -96.44 -58.01 2.17 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 178.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.426 ' HA ' ' HG2' ' A' ' 45' ' ' GLU . 26.6 t 56.18 54.47 7.76 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.559 172.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 86.2 mt -120.28 -26.35 5.48 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.905 -1.043 . . . . 0.0 110.131 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.442 ' HA2' ' N ' ' A' ' 45' ' ' GLU . . . 80.75 9.03 86.85 Favored Glycine 0 N--CA 1.442 -0.946 0 C-N-CA 120.701 -0.761 . . . . 0.0 111.616 -176.578 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.59 ' CD1' ' HG ' ' A' ' 32' ' ' LEU . 16.0 p90 -164.9 156.34 15.07 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-O 121.275 0.56 . . . . 0.0 111.127 -178.299 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.629 ' HG2' ' OE2' ' A' ' 36' ' ' GLU . 5.1 pt20 -137.58 -31.25 0.8 Allowed 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 174.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 17.2 t-160 -136.3 -10.91 1.93 Allowed 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 114.628 -1.169 . . . . 0.0 109.013 172.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.632 ' CA ' ' HG2' ' A' ' 36' ' ' GLU . 1.2 mt 90.17 135.58 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 115.635 1.717 . . . . 0.0 115.635 161.642 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.7 t 44.54 -105.48 0.09 Allowed 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 113.338 -1.755 . . . . 0.0 114.37 166.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -54.32 -32.58 56.94 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 118.809 0.732 . . . . 0.0 111.682 -178.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -77.01 -51.47 11.04 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.035 176.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.632 ' HG2' ' CA ' ' A' ' 32' ' ' LEU . 14.2 mm-40 -50.78 -52.64 38.92 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.109 -0.95 . . . . 0.0 111.871 177.24 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.473 ' HA ' ' O ' ' A' ' 41' ' ' ILE . 41.7 ttm180 -57.72 -42.08 83.1 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.058 -0.973 . . . . 0.0 111.441 -174.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -78.25 -43.54 27.97 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.232 -177.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -78.69 -61.41 2.02 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -169.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 26.2 ttt -124.59 -46.27 1.89 Allowed 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 113.922 1.082 . . . . 0.0 113.922 -170.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.473 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 13.9 mt -133.94 132.78 56.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 C-N-CA 120.472 -0.491 . . . . 0.0 111.109 -170.54 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.1 p -73.59 4.69 4.63 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.433 -177.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -168.29 -147.75 0.07 Allowed 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 -173.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -71.99 -176.36 1.7 Allowed 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 122.31 0.244 . . . . 0.0 111.186 178.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.442 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 16.9 tp10 -46.14 -53.94 9.52 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 -168.515 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -93.67 8.74 39.74 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.932 0.396 . . . . 0.0 111.505 -177.475 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.21 -15.78 15.73 Favored Glycine 0 N--CA 1.449 -0.438 0 CA-C-N 116.106 -0.497 . . . . 0.0 113.542 175.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 31.4 t70 61.98 10.84 3.84 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 121.833 0.825 . . . . 0.0 110.689 -175.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.604 ' O ' ' HB2' ' A' ' 4' ' ' HIS . 5.1 m -77.82 94.26 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.963 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.839 -178.405 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -126.32 93.28 3.76 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.36 -178.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 12.5 m -110.87 134.52 52.89 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.251 -177.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.581 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 85.7 mt -85.57 121.63 28.54 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 175.528 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.499 HG21 ' CD2' ' A' ' 5' ' ' TYR . 14.7 t -142.62 -172.29 3.6 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.455 -175.63 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.471 HD13 HD11 ' A' ' 62' ' ' LEU . 1.1 mp -101.99 127.4 55.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 120.952 0.405 . . . . 0.0 111.751 -175.007 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.503 ' SG ' ' HB3' ' A' ' 57' ' ' ASP . 20.6 p -82.81 176.54 9.23 Favored 'General case' 0 N--CA 1.46 0.048 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.341 176.315 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -59.03 -41.85 88.78 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.111 0.481 . . . . 0.0 110.534 178.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.503 ' HB3' ' SG ' ' A' ' 55' ' ' CYS . 17.4 t70 -59.28 -42.23 90.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.882 178.013 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.431 ' HB2' HG22 ' A' ' 54' ' ' ILE . 64.4 m -74.54 -37.1 63.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.029 179.16 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.74 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 25.3 tm0? -54.83 -30.29 57.02 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.945 177.281 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -70.38 -48.73 54.88 Favored 'General case' 0 N--CA 1.433 -1.316 0 O-C-N 121.897 -0.502 . . . . 0.0 111.916 177.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.81 -33.49 61.63 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 122.356 1.074 . . . . 0.0 108.828 172.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.74 ' HB2' ' O ' ' A' ' 59' ' ' GLN . 0.2 OUTLIER -63.52 -61.83 2.07 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 113.338 -1.755 . . . . 0.0 112.367 178.02 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -74.54 -47.54 32.22 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.061 -0.972 . . . . 0.0 112.562 -173.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 76.4 mtp180 -79.43 -73.3 0.35 Allowed 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -171.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -152.01 124.17 3.92 Favored Pre-proline 0 C--N 1.324 -0.506 0 C-N-CA 121.247 -0.181 . . . . 0.0 110.923 -176.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -42.71 -58.23 1.37 Allowed 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 123.453 2.768 . . . . 0.0 113.202 -175.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 42.8 m-70 -74.59 92.86 2.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.222 0.534 . . . . 0.0 110.265 177.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 35.2 t80 -122.35 165.41 16.32 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.374 -178.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 8.7 p-80 49.71 31.11 4.11 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.166 0.986 . . . . 0.0 112.183 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -139.09 -8.38 1.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.158 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -145.46 139.74 27.07 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 50.0 m80 -76.78 -40.26 48.82 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.19 -176.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.7 p . . . . . 0 C--O 1.252 1.188 0 CA-C-O 118.487 -0.768 . . . . 0.0 110.583 178.023 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 . . . . . 0 N--CA 1.482 1.146 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 49.9 m -78.42 -37.18 44.41 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.82 0.343 . . . . 0.0 110.55 178.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -85.87 155.5 20.93 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.919 0.39 . . . . 0.0 110.261 176.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.427 ' O ' HG23 ' A' ' 49' ' ' VAL . . . -133.29 -13.57 2.68 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.064 179.156 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.5 HD11 ' N ' ' A' ' 3' ' ' LEU . 3.9 mp -118.88 156.7 29.03 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-O 121.158 0.504 . . . . 0.0 110.091 -175.202 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -93.21 126.66 38.44 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.202 178.18 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.678 ' HB2' ' N ' ' A' ' 15' ' ' GLY . 9.3 m-30 -96.42 131.01 43.43 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-N 114.988 -1.006 . . . . 0.0 109.766 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.665 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 96.7 m-85 -129.14 132.23 47.32 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 171.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.488 ' HA ' ' O ' ' A' ' 53' ' ' THR . 13.5 t -84.59 145.96 27.76 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 113.808 1.04 . . . . 0.0 113.808 -167.39 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.497 ' HG3' ' O ' ' A' ' 8' ' ' ARG . 17.5 ptt180 -71.27 123.03 21.32 Favored 'General case' 0 N--CA 1.437 -1.112 0 CA-C-N 113.911 -1.495 . . . . 0.0 108.709 169.159 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 17.7 t60 80.6 -45.5 0.25 Allowed 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.514 -0.766 . . . . 0.0 112.152 170.152 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.541 ' CB ' HG12 ' A' ' 12' ' ' VAL . 33.5 m -69.82 -37.77 76.35 Favored 'General case' 0 N--CA 1.462 0.171 0 N-CA-C 109.001 -0.741 . . . . 0.0 109.001 175.709 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 79.46 14.4 81.44 Favored Glycine 0 C--N 1.335 0.481 0 CA-C-N 115.364 -0.835 . . . . 0.0 112.343 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.541 HG12 ' CB ' ' A' ' 10' ' ' CYS . 0.4 OUTLIER -96.64 138.57 21.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.187 0.517 . . . . 0.0 112.322 -175.516 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.527 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -78.76 95.2 5.27 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.818 176.468 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.434 HG11 ' HA ' ' A' ' 55' ' ' CYS . 0.0 OUTLIER -76.22 -12.84 14.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.787 -177.271 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.678 ' N ' ' HB2' ' A' ' 5' ' ' TYR . . . -103.21 45.32 1.34 Allowed Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.158 -177.054 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.7 m -155.02 81.77 1.07 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.156 0.503 . . . . 0.0 110.121 178.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.9 pp -106.69 -15.28 14.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.379 0.609 . . . . 0.0 109.503 -177.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -80.65 130.55 35.17 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.628 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.2 p -133.32 131.16 39.83 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.431 177.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 46.8 t -160.73 -75.77 0.06 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.621 179.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 59.2 mtt -116.42 -74.54 0.6 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 177.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.7 t 49.37 62.6 0.22 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.223 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.789 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.1 p -72.48 -21.77 61.17 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.374 -176.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.2 t -164.75 144.66 7.32 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.664 -178.159 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -93.79 -15.27 25.3 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.983 0.897 . . . . 0.0 108.79 175.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.8 t -99.76 99.82 10.68 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.681 -1.145 . . . . 0.0 110.716 -178.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.2 mt -146.83 -80.85 0.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.616 175.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 77.1 105.99 0.15 Allowed Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.677 -0.773 . . . . 0.0 111.624 -174.206 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -102.0 175.85 5.4 Favored 'General case' 0 N--CA 1.44 -0.973 0 CA-C-O 121.808 0.813 . . . . 0.0 110.582 -178.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.2 pt20 -159.85 -31.09 0.06 Allowed 'General case' 0 C--N 1.307 -1.279 0 CA-C-N 114.162 -1.381 . . . . 0.0 109.516 177.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 41.1 t-80 -123.25 87.97 2.84 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.404 -0.817 . . . . 0.0 109.04 177.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.456 ' HB2' ' HB2' ' A' ' 36' ' ' GLU . 0.9 OUTLIER -129.84 179.21 5.98 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 122.176 0.989 . . . . 0.0 112.337 -173.844 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.4 m -132.06 162.67 30.21 Favored 'General case' 0 N--CA 1.441 -0.889 0 CA-C-N 113.558 -1.656 . . . . 0.0 106.945 170.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 12.5 p30 -43.55 -38.12 2.8 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 118.433 0.56 . . . . 0.0 112.309 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -67.13 -32.85 74.25 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 -178.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.456 ' HB2' ' HB2' ' A' ' 32' ' ' LEU . 8.0 mm-40 -65.71 -34.55 78.45 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-N 118.205 0.457 . . . . 0.0 110.281 -175.681 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.541 ' O ' ' HA ' ' A' ' 41' ' ' ILE . 21.8 ttt180 -71.82 -38.13 70.23 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-N 115.575 -0.738 . . . . 0.0 111.056 -179.365 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -78.28 -38.07 43.49 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.134 -179.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -78.35 -57.84 3.57 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.654 -174.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.479 ' O ' ' HB ' ' A' ' 41' ' ' ILE . 88.0 mtp -104.87 -6.57 20.07 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -173.725 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.541 ' HA ' ' O ' ' A' ' 37' ' ' ARG . 1.9 mp 74.98 119.17 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 O-C-N 123.72 0.637 . . . . 0.0 111.102 -178.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 67.1 m -95.29 75.57 3.39 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.447 0.641 . . . . 0.0 110.804 178.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.437 ' HH ' ' HA2' ' A' ' 47' ' ' GLY . 51.5 t80 -119.11 141.88 48.4 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.912 176.76 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -81.32 137.21 35.78 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.58 -176.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -68.83 -11.43 60.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.675 0.75 . . . . 0.0 109.747 173.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -62.78 -20.33 64.88 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.492 -0.777 . . . . 0.0 111.18 178.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.437 ' HA2' ' HH ' ' A' ' 43' ' ' TYR . . . 72.67 28.26 67.63 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.247 -0.977 . . . . 0.0 110.853 -176.662 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -50.95 -49.91 59.0 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.0 -0.6 . . . . 0.0 112.539 -170.031 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.476 ' HB ' ' HA ' ' A' ' 3' ' ' LEU . 14.6 m -107.33 92.57 2.13 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.052 0 CA-C-O 121.876 0.846 . . . . 0.0 111.048 178.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 10.9 t60 -133.42 102.26 5.46 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.096 -0.956 . . . . 0.0 108.968 -178.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 22.3 m -119.91 142.15 36.81 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.778 -176.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.665 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 21.9 mt -101.55 132.27 47.28 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 176.431 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.488 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 15.1 t -152.98 -170.69 3.7 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.427 -174.557 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.441 HG12 ' SG ' ' A' ' 58' ' ' CYS . 0.3 OUTLIER -113.5 138.36 43.41 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 C-N-CA 122.897 0.479 . . . . 0.0 111.022 -174.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.529 ' N ' ' SG ' ' A' ' 58' ' ' CYS . 3.2 m -72.6 -170.73 0.71 Allowed 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 123.23 0.612 . . . . 0.0 110.724 -178.449 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -78.72 -29.7 45.49 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 171.23 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.91 -50.48 34.42 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 113.831 -1.531 . . . . 0.0 112.072 -175.022 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.558 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 1.8 p -74.83 -34.8 62.4 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 122.278 -0.264 . . . . 0.0 110.61 -178.436 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.05 -34.72 72.27 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 121.211 0.529 . . . . 0.0 110.067 178.028 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -68.75 -49.22 60.51 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.578 -177.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.33 -29.85 71.09 Favored 'General case' 0 CA--C 1.51 -0.573 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 177.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.558 ' HB2' ' O ' ' A' ' 58' ' ' CYS . 0.3 OUTLIER -69.0 -59.11 3.27 Favored 'General case' 0 N--CA 1.432 -1.327 0 CA-C-N 113.758 -1.565 . . . . 0.0 111.609 -179.182 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -69.53 -32.07 70.67 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.995 -1.002 . . . . 0.0 111.353 -176.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -72.5 -39.99 67.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.333 176.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.488 ' HB2' ' HA ' ' A' ' 70' ' ' GLU . 4.1 p-10 36.63 71.25 0.96 Allowed Pre-proline 0 N--CA 1.473 0.692 0 C-N-CA 124.406 1.083 . . . . 0.0 113.781 -176.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.413 ' HD3' ' N ' ' A' ' 65' ' ' ASN . 4.3 Cg_exo -78.32 -60.6 0.03 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.64 0 C-N-CA 123.249 2.632 . . . . 0.0 110.813 173.783 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 14.0 p80 -151.17 39.05 0.66 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 174.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -107.76 -64.64 1.19 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.318 -174.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -159.54 77.69 0.7 Allowed 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.111 -179.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.488 ' HA ' ' HB2' ' A' ' 65' ' ' ASN . 5.8 mp0 -71.06 -64.9 0.82 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.953 -176.512 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -178.53 144.57 0.29 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.741 174.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -98.81 71.17 1.9 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.555 177.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 40.3 p . . . . . 0 C--O 1.249 1.069 0 C-N-CA 123.438 0.695 . . . . 0.0 112.465 178.656 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . . 28.6 pt20 . . . . . 0 N--CA 1.478 0.928 0 CA-C-O 120.785 0.326 . . . . 0.0 110.16 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 6.4 p -124.97 76.42 1.53 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.297 0.57 . . . . 0.0 110.662 -176.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.6 mtm -92.89 155.77 17.38 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.059 -178.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -109.01 -56.66 2.25 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.14 0.495 . . . . 0.0 110.913 -177.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.526 HD11 ' N ' ' A' ' 3' ' ' LEU . 1.9 mp -109.22 158.15 18.11 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.187 178.693 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.582 ' HB3' ' CE1' ' A' ' 6' ' ' TYR . 1.5 m80 -123.07 122.0 37.42 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-O 121.583 0.706 . . . . 0.0 110.326 172.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.569 ' HB2' ' N ' ' A' ' 15' ' ' GLY . 7.2 m-85 -98.33 119.59 37.27 Favored 'General case' 0 C--N 1.302 -1.479 0 CA-C-N 114.203 -1.362 . . . . 0.0 109.407 179.042 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.582 ' CE1' ' HB3' ' A' ' 4' ' ' HIS . 93.7 m-85 -126.32 141.72 51.8 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 175.278 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 6.6 t -86.76 128.66 35.03 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 119.438 -0.905 . . . . 0.0 112.889 -172.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.445 ' O ' ' HB3' ' A' ' 9' ' ' HIS . 3.9 ptm180 -57.85 118.32 5.21 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 114.37 -1.287 . . . . 0.0 110.539 170.286 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.445 ' HB3' ' O ' ' A' ' 8' ' ' ARG . 38.2 t-80 88.57 -28.53 0.05 OUTLIER 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.737 169.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.572 ' HB2' HG12 ' A' ' 12' ' ' VAL . 11.2 m -95.53 -32.02 13.05 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.207 0.527 . . . . 0.0 110.728 178.115 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 76.39 6.91 84.71 Favored Glycine 0 N--CA 1.451 -0.362 0 CA-C-N 115.659 -0.7 . . . . 0.0 112.611 -179.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.572 HG12 ' HB2' ' A' ' 10' ' ' CYS . 2.0 p -76.53 137.86 21.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.999 0.428 . . . . 0.0 111.404 -177.306 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -82.79 97.51 8.64 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.111 -177.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -76.05 -27.24 17.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.84 -176.695 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.569 ' N ' ' HB2' ' A' ' 5' ' ' TYR . . . -137.28 75.22 0.39 Allowed Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.718 -178.052 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.417 ' H ' HD23 ' A' ' 17' ' ' LEU . 8.6 t -148.52 30.25 0.83 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.77 0.795 . . . . 0.0 109.04 171.566 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.524 ' HG ' ' HG3' ' A' ' 18' ' ' GLU . 2.6 pt? -174.9 -25.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.54 -1.209 . . . . 0.0 109.737 -174.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.524 ' HG3' ' HG ' ' A' ' 17' ' ' LEU . 37.2 mt-10 -120.9 -90.22 0.59 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 114.959 -1.019 . . . . 0.0 111.116 179.656 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.5 m -80.09 77.43 6.8 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.33 178.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -127.27 -33.03 2.42 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.24 -173.368 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 21.7 ptp -115.07 6.69 15.26 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.159 0.504 . . . . 0.0 111.083 -174.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.7 p -70.88 109.82 3.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.645 178.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 95.2 p 53.86 -170.99 0.05 OUTLIER 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.785 0.834 . . . . 0.0 111.858 -178.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 10.5 t -144.63 120.61 10.68 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.475 0.655 . . . . 0.0 110.562 175.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -99.58 -1.83 37.22 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.001 176.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.515 ' HB2' ' CG2' ' A' ' 49' ' ' VAL . 42.3 t -68.74 -75.04 0.11 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.922 -1.035 . . . . 0.0 110.862 -176.3 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.0 mp 53.23 85.59 0.05 OUTLIER 'General case' 0 C--O 1.233 0.21 0 O-C-N 123.532 0.52 . . . . 0.0 111.382 -177.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -77.78 61.37 3.68 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.895 -0.669 . . . . 0.0 111.464 178.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.517 ' HB3' ' HB2' ' A' ' 32' ' ' LEU . 51.1 m-85 -133.07 125.86 30.55 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 -175.146 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.496 HE21 ' HA ' ' A' ' 30' ' ' GLN . 0.1 OUTLIER -75.02 -60.08 2.45 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 176.742 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 48.7 m-70 -135.82 49.02 2.16 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.207 0.527 . . . . 0.0 110.619 173.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.526 HD12 ' N ' ' A' ' 32' ' ' LEU . 2.6 mp -119.91 -175.34 2.95 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 178.116 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -146.63 -173.63 4.26 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.602 -177.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 20.6 p30 -59.7 -26.57 65.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.387 177.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -68.44 -33.76 74.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.812 0.339 . . . . 0.0 110.362 177.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.428 ' HG3' ' HB3' ' A' ' 32' ' ' LEU . 45.6 mm-40 -78.79 -27.34 44.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.023 0.439 . . . . 0.0 110.301 177.239 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.544 ' O ' ' HA ' ' A' ' 41' ' ' ILE . 76.2 ttt180 -61.92 -39.68 92.86 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.15 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -79.0 -25.78 43.33 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.947 0.403 . . . . 0.0 110.664 176.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -75.47 -57.7 3.73 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.882 -176.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.413 ' O ' ' HB ' ' A' ' 41' ' ' ILE . 16.2 tpt -115.6 -20.07 10.32 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.182 -176.297 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.544 ' HA ' ' O ' ' A' ' 37' ' ' ARG . 65.2 mt 76.68 -43.63 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 C-N-CA 123.233 0.613 . . . . 0.0 111.34 -178.698 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 39.2 m 73.66 -18.49 0.38 Allowed 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.676 0.791 . . . . 0.0 112.496 173.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.434 ' H ' ' C ' ' A' ' 41' ' ' ILE . 66.6 t80 71.22 144.62 0.06 Allowed 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 123.481 0.713 . . . . 0.0 111.285 178.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 49.6 mtpt -72.9 89.98 1.43 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.63 174.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -59.51 -42.13 91.49 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.28 -175.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.43 ' C ' ' H ' ' A' ' 48' ' ' ASP . 4.7 m-20 -81.25 -22.69 38.54 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.874 0.369 . . . . 0.0 110.474 179.638 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.38 -34.52 0.96 Allowed Glycine 0 CA--C 1.521 0.446 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.955 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.43 ' H ' ' C ' ' A' ' 46' ' ' ASN . 37.4 m-20 -126.88 164.63 21.0 Favored 'General case' 0 N--CA 1.439 -1.021 0 C-N-CA 122.67 0.388 . . . . 0.0 111.065 -177.801 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.525 ' HB ' ' CB ' ' A' ' 3' ' ' LEU . 25.6 t -119.08 106.66 19.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 165.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 9.2 t-80 -74.82 91.95 2.47 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.581 -175.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.424 HG22 ' HA ' ' A' ' 5' ' ' TYR . 2.9 m -115.34 125.26 72.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.17 178.265 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 41.8 mt -110.99 131.72 54.81 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.733 179.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.0 t -141.23 172.21 12.99 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 -176.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.56 HG23 ' SG ' ' A' ' 58' ' ' CYS . 0.8 OUTLIER -96.67 124.59 49.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.352 0.596 . . . . 0.0 110.544 178.178 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.441 ' SG ' HG13 ' A' ' 12' ' ' VAL . 18.5 p -87.81 -171.96 3.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.258 -0.883 . . . . 0.0 111.341 -179.409 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -59.03 -53.82 54.08 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.71 -177.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -51.78 -49.73 62.09 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.697 -173.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.56 ' SG ' HG23 ' A' ' 54' ' ' ILE . 2.2 p -73.75 -48.11 34.17 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 119.57 -0.252 . . . . 0.0 111.084 -175.212 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.554 ' CA ' ' HB2' ' A' ' 62' ' ' LEU . 1.2 tm0? -48.78 -31.97 7.87 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 123.19 0.596 . . . . 0.0 111.605 176.72 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -70.76 -52.55 20.02 Favored 'General case' 0 N--CA 1.441 -0.899 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.872 -178.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.57 -31.55 66.26 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 122.243 1.021 . . . . 0.0 109.648 172.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.554 ' HB2' ' CA ' ' A' ' 59' ' ' GLN . 0.7 OUTLIER -64.07 -60.61 3.02 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 113.051 -1.886 . . . . 0.0 110.663 -179.32 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.55 ' OD2' ' HD3' ' A' ' 66' ' ' PRO . 3.8 t70 -58.95 -41.07 86.55 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.405 -1.27 . . . . 0.0 110.436 176.203 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.427 ' HG2' ' O ' ' A' ' 64' ' ' ARG . 50.1 ttp180 70.02 3.58 4.42 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 113.028 0.751 . . . . 0.0 113.028 167.238 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -82.28 -48.87 0.88 Allowed Pre-proline 0 CA--C 1.54 0.568 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -177.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.55 ' HD3' ' OD2' ' A' ' 63' ' ' ASP . 14.7 Cg_exo -67.89 -57.61 0.16 Allowed 'Trans proline' 0 C--N 1.358 1.037 0 C-N-CA 121.688 1.592 . . . . 0.0 111.691 -178.568 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 6.1 p80 -168.62 151.49 5.26 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 177.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 9.8 p90 -152.67 173.16 15.58 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 178.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -76.81 88.04 3.42 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.509 0.671 . . . . 0.0 110.111 176.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -66.93 -16.67 64.49 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.915 -1.038 . . . . 0.0 112.027 -178.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -97.13 -23.15 16.36 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 120.85 0.357 . . . . 0.0 110.535 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 64.6 t-80 -141.01 78.43 1.65 Allowed 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 -178.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.4 m . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.608 -0.711 . . . . 0.0 111.042 -174.648 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 . . . . . 0 N--CA 1.481 1.091 0 CA-C-O 120.641 0.258 . . . . 0.0 110.358 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 23.0 t -168.6 169.23 10.4 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 -178.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.0 ptt? -137.19 150.57 47.99 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.157 0.503 . . . . 0.0 110.546 -177.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.481 ' O ' HG22 ' A' ' 49' ' ' VAL . . . -98.66 -62.54 1.23 Allowed 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.45 -179.273 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.465 HD11 ' C ' ' A' ' 2' ' ' ALA . 6.8 mp -125.54 155.26 40.92 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 114.69 -1.141 . . . . 0.0 109.261 178.786 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 44.8 m80 -88.72 121.47 31.13 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 178.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.48 ' HB2' ' C ' ' A' ' 14' ' ' VAL . 4.1 m-30 -99.04 116.85 32.21 Favored 'General case' 0 C--N 1.309 -1.157 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.932 -177.529 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.491 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 85.2 m-85 -118.11 128.98 55.26 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-O 121.167 0.508 . . . . 0.0 109.961 175.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.604 ' HB3' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -81.5 116.75 21.44 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.457 0.646 . . . . 0.0 112.615 -168.329 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.02 113.03 0.82 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 113.963 -1.471 . . . . 0.0 111.9 -177.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 63.8 t60 63.14 23.93 14.16 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 122.196 0.998 . . . . 0.0 109.699 171.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.604 ' HB3' ' HB3' ' A' ' 7' ' ' CYS . 37.1 t -128.64 -24.38 3.02 Favored 'General case' 0 N--CA 1.438 -1.045 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.372 -169.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 80.1 4.5 89.74 Favored Glycine 0 C--N 1.333 0.38 0 C-N-CA 120.913 -0.661 . . . . 0.0 114.646 168.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.544 HG13 ' SG ' ' A' ' 10' ' ' CYS . 2.0 p -107.51 144.96 15.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 117.277 0.538 . . . . 0.0 110.998 179.705 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.2 mtmm -96.19 110.54 22.81 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.943 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.48 ' C ' ' HB2' ' A' ' 5' ' ' TYR . 0.1 OUTLIER -99.47 12.96 5.49 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.392 -177.633 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.453 ' N ' ' HB2' ' A' ' 5' ' ' TYR . . . -58.59 -46.45 93.23 Favored Glycine 0 N--CA 1.447 -0.625 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.719 178.617 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.6 t 64.51 -174.79 0.17 Allowed 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 121.56 0.695 . . . . 0.0 111.556 173.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -126.74 -3.27 6.59 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.91 -1.041 . . . . 0.0 109.417 178.244 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.434 ' O ' ' HG2' ' A' ' 21' ' ' MET . 6.2 mm-40 -101.57 -3.01 29.2 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 114.724 -1.125 . . . . 0.0 110.337 176.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.6 p -62.8 -27.1 69.07 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -173.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.3 p -58.58 -25.11 62.22 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -179.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.434 ' HG2' ' O ' ' A' ' 18' ' ' GLU . 21.7 ptp -105.17 -15.6 15.02 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-O 121.482 0.658 . . . . 0.0 109.68 -177.238 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 46.4 t -94.44 -28.49 4.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.41 -0.813 . . . . 0.0 110.614 -178.197 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 32.5 t -120.27 105.17 10.68 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 115.089 -0.959 . . . . 0.0 110.378 -178.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.6 p -98.66 43.16 1.07 Allowed 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.602 -0.727 . . . . 0.0 109.682 176.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -97.55 -65.44 0.96 Allowed 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 114.964 -1.016 . . . . 0.0 108.934 -175.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.1 t 71.84 -48.69 0.68 Allowed 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 115.099 -0.955 . . . . 0.0 112.381 171.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.2 mp -72.81 113.25 9.63 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.862 0.363 . . . . 0.0 110.614 176.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -84.78 48.75 4.11 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.876 -0.678 . . . . 0.0 111.82 178.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.467 ' HB3' HD23 ' A' ' 32' ' ' LEU . 68.0 m-85 -130.91 146.12 52.23 Favored 'General case' 0 N--CA 1.441 -0.916 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 -176.735 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -119.88 -38.54 2.95 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.453 -176.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 19.6 t60 -141.99 104.75 4.54 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 178.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.505 ' HG ' ' HB2' ' A' ' 36' ' ' GLU . 2.6 pt? -148.03 154.97 40.96 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.82 -173.695 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.457 ' O ' ' HB3' ' A' ' 36' ' ' GLU . 17.4 m -156.51 -76.94 0.09 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.635 0.255 . . . . 0.0 111.576 -177.507 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.446 ' N ' HG22 ' A' ' 33' ' ' THR . 86.9 m-20 -69.0 -28.0 66.2 Favored 'General case' 0 CA--C 1.51 -0.569 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 178.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -72.37 -42.5 65.2 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.086 -1.415 . . . . 0.0 108.744 175.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.505 ' HB2' ' HG ' ' A' ' 32' ' ' LEU . 41.6 tt0 -52.99 -33.05 49.65 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 113.685 -1.598 . . . . 0.0 111.702 -179.345 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.42 ' O ' ' HG2' ' A' ' 40' ' ' MET . 99.1 mtt180 -62.34 -36.85 83.51 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.756 0.312 . . . . 0.0 111.131 -179.35 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -81.36 -44.32 17.76 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.157 0.503 . . . . 0.0 110.887 174.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -72.77 -11.59 60.67 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 115.762 -0.654 . . . . 0.0 112.607 -173.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.42 ' HG2' ' O ' ' A' ' 37' ' ' ARG . 27.2 ptm -62.94 -16.75 60.39 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -174.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.451 ' O ' HG21 ' A' ' 41' ' ' ILE . 21.1 mt -85.26 41.21 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.386 0.612 . . . . 0.0 110.473 -178.475 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 58.6 m 54.94 26.2 7.67 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.143 179.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -102.43 145.21 29.88 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.123 -179.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.1 pttm -110.62 110.27 20.89 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.066 0.46 . . . . 0.0 110.824 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -54.64 -28.66 48.56 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.528 178.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -69.28 -17.32 63.73 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.299 -177.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.96 -35.12 2.94 Favored Glycine 0 N--CA 1.453 -0.226 0 N-CA-C 111.93 -0.468 . . . . 0.0 111.93 -177.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -141.57 157.21 45.39 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 177.024 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.481 HG22 ' O ' ' A' ' 2' ' ' ALA . 1.3 m -96.91 97.56 6.5 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 CA-C-O 121.08 0.467 . . . . 0.0 110.853 -176.108 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 11.6 t60 -120.93 114.55 21.71 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.19 -177.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.1 m -132.4 144.2 37.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.974 0.416 . . . . 0.0 111.266 -179.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.491 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 85.9 mt -105.05 136.98 43.52 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.43 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 14.8 t -148.41 -171.64 3.89 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.723 -0.217 . . . . 0.0 110.761 -176.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.635 HG23 ' SG ' ' A' ' 58' ' ' CYS . 2.0 mt -132.32 113.69 21.9 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 CA-C-O 121.383 0.611 . . . . 0.0 110.964 -178.711 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 22.8 p -73.52 -176.57 2.35 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.499 175.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -59.69 -46.07 90.19 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.633 -176.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -58.78 -49.79 76.37 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 112.392 0.516 . . . . 0.0 112.392 -174.045 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.635 ' SG ' HG23 ' A' ' 54' ' ' ILE . 6.5 p -74.49 -38.59 62.82 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.007 0.432 . . . . 0.0 110.409 -178.39 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -51.95 -34.34 41.62 Favored 'General case' 0 C--O 1.226 -0.17 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.941 170.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -69.84 -44.13 70.52 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 -177.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.36 -31.56 72.41 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-O 122.367 1.079 . . . . 0.0 108.895 177.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.23 -58.58 4.2 Favored 'General case' 0 N--CA 1.438 -1.029 0 CA-C-N 113.34 -1.755 . . . . 0.0 111.88 178.719 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -59.52 -34.06 72.15 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.559 -1.2 . . . . 0.0 111.767 -177.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.538 ' HG3' ' O ' ' A' ' 68' ' ' TYR . 52.4 ttp180 66.69 101.42 0.05 OUTLIER 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.192 0.52 . . . . 0.0 112.171 172.73 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.405 ' HB3' ' CD ' ' A' ' 66' ' ' PRO . 26.0 t-20 -156.23 -60.32 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.541 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.811 176.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.405 ' CD ' ' HB3' ' A' ' 65' ' ' ASN . 61.2 Cg_endo -72.91 -30.05 11.55 Favored 'Trans proline' 0 C--N 1.357 0.998 0 C-N-CA 121.526 1.484 . . . . 0.0 112.473 174.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 21.3 p80 -156.39 -169.92 3.18 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.82 -177.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.538 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 68.7 t80 69.0 112.58 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.393 0 O-C-N 124.454 1.097 . . . . 0.0 110.256 -174.214 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.469 ' HA ' ' O ' ' A' ' 73' ' ' THR . 39.9 t-80 53.08 56.14 7.92 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 -176.621 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -61.29 -81.1 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.039 -0.982 . . . . 0.0 111.598 -170.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 13.7 p90 -95.35 -35.65 11.69 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.044 0.45 . . . . 0.0 110.086 179.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 26.9 m80 -153.64 -51.35 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.453 -0.794 . . . . 0.0 108.909 177.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.469 ' O ' ' HA ' ' A' ' 69' ' ' HIS . 1.6 p . . . . . 0 C--O 1.248 0.979 0 CA-C-N 115.206 -0.906 . . . . 0.0 111.191 178.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 . . . . . 0 N--CA 1.48 1.028 0 N-CA-C 110.186 -0.301 . . . . 0.0 110.186 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 30.5 t 64.49 -177.66 0.17 Allowed 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.386 -177.238 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.7 mmt -79.95 174.9 11.12 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 178.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.444 ' C ' HD11 ' A' ' 3' ' ' LEU . . . -55.46 -60.06 3.95 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.322 0.582 . . . . 0.0 111.148 -178.748 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.444 HD11 ' C ' ' A' ' 2' ' ' ALA . 6.4 mp -132.82 154.4 50.35 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.484 177.688 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 39.1 m80 -88.35 123.05 32.54 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 177.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.702 ' HB2' ' N ' ' A' ' 15' ' ' GLY . 9.5 m-30 -98.42 125.23 43.5 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.281 -178.409 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.595 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 95.1 m-85 -125.44 134.04 52.24 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 108.885 -0.784 . . . . 0.0 108.885 173.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.691 ' HA ' ' O ' ' A' ' 53' ' ' THR . 39.5 t -83.28 144.35 29.78 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 -165.251 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.484 ' CZ ' HD11 ' A' ' 54' ' ' ILE . 32.2 ttp180 -66.45 120.77 13.94 Favored 'General case' 0 N--CA 1.44 -0.959 0 CA-C-N 113.563 -1.653 . . . . 0.0 109.63 171.442 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.466 ' HB3' ' O ' ' A' ' 8' ' ' ARG . 52.2 t60 91.47 -47.78 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 115.245 -0.889 . . . . 0.0 112.196 166.659 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.798 ' SG ' HG12 ' A' ' 12' ' ' VAL . 4.5 p -96.04 -23.06 16.98 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 119.78 -0.768 . . . . 0.0 110.682 -177.256 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 79.0 18.17 75.42 Favored Glycine 0 C--N 1.333 0.371 0 CA-C-N 115.992 -0.549 . . . . 0.0 114.182 173.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.798 HG12 ' SG ' ' A' ' 10' ' ' CYS . 7.0 p -75.39 144.68 11.76 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-N 117.605 0.702 . . . . 0.0 110.966 179.038 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.497 ' HG2' ' CD1' ' A' ' 6' ' ' TYR . 87.5 mttt -84.82 95.48 9.0 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.243 178.265 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -76.01 -22.94 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.961 -173.489 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.702 ' N ' ' HB2' ' A' ' 5' ' ' TYR . . . -137.89 92.74 0.21 Allowed Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.263 -175.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.8 t 73.25 130.54 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.551 0.691 . . . . 0.0 111.31 178.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 pp -108.69 -7.36 15.63 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.186 -177.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -80.84 144.23 32.18 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.036 -0.984 . . . . 0.0 111.714 -176.097 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.5 m 64.22 39.02 7.73 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.854 173.141 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.9 m -72.79 -61.67 1.73 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.277 179.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 18.0 ptp -121.35 9.5 10.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.705 0.764 . . . . 0.0 109.779 -178.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 58.6 t -58.74 -45.5 91.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 114.563 -1.199 . . . . 0.0 111.19 -179.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.43 ' HB3' ' O ' ' A' ' 27' ' ' LEU . 56.6 m -103.61 49.6 0.82 Allowed 'General case' 0 C--N 1.309 -1.171 0 CA-C-N 115.293 -0.867 . . . . 0.0 111.232 -176.455 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.3 t -83.29 -23.04 32.79 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.743 -179.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -96.95 -33.6 11.52 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.816 0.817 . . . . 0.0 109.281 -179.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.9 t -94.11 -160.22 0.75 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.543 -1.208 . . . . 0.0 110.132 -179.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.43 ' O ' ' HB3' ' A' ' 23' ' ' SER . 6.0 mp -92.96 177.93 5.92 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.001 178.263 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -76.16 72.99 1.81 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.946 -0.645 . . . . 0.0 113.176 -175.578 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.441 ' CD2' HD21 ' A' ' 32' ' ' LEU . 79.8 m-85 -137.26 -159.92 1.0 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 175.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -123.01 -67.83 0.92 Allowed 'General case' 0 CA--C 1.509 -0.625 0 CA-C-O 121.802 0.811 . . . . 0.0 109.14 179.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 50.0 t60 -146.34 76.66 1.45 Allowed 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 113.92 -1.491 . . . . 0.0 108.519 178.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.441 HD21 ' CD2' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -80.29 163.88 23.62 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.594 0.711 . . . . 0.0 111.889 -176.166 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.0 m -113.53 168.69 9.55 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 114.663 -1.153 . . . . 0.0 108.454 178.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 29.2 p-10 -46.6 -43.33 17.23 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 111.983 0.364 . . . . 0.0 111.983 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -63.02 -34.78 78.3 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -178.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -78.81 -29.44 44.83 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-O 120.887 0.375 . . . . 0.0 110.203 -178.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 36.4 mtm180 -67.46 -44.11 79.4 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 174.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -65.84 -30.77 71.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.643 176.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -70.39 -46.29 64.29 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.206 -177.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.417 ' HG2' ' CZ ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -82.2 -14.29 55.81 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.042 -179.057 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 42.6 mt 70.65 -76.99 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.565 177.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 48.8 m -157.26 18.24 0.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.34 0.59 . . . . 0.0 109.682 -179.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -121.26 136.75 54.92 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.931 -176.143 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -71.19 87.11 0.79 Allowed 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 175.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -59.46 -30.96 68.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.911 -175.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -64.17 -22.16 66.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.299 0.571 . . . . 0.0 110.419 177.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.37 -4.61 48.46 Favored Glycine 0 N--CA 1.45 -0.394 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.3 -178.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 28.3 t70 56.62 82.16 0.12 Allowed 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 122.047 0.927 . . . . 0.0 110.0 -173.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.415 ' HB ' ' HA ' ' A' ' 3' ' ' LEU . 5.1 m -75.7 93.74 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.313 -1.013 0 CA-C-N 114.495 -1.229 . . . . 0.0 111.25 -178.055 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -127.71 97.83 4.98 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.287 -0.87 . . . . 0.0 109.12 -177.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 17.6 m -118.05 144.33 26.39 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-O 120.946 0.403 . . . . 0.0 111.28 -175.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.595 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 38.3 mt -104.83 132.84 50.58 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.101 179.243 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.691 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 14.1 t -152.79 172.44 16.72 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 -178.164 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.484 HD11 ' CZ ' ' A' ' 8' ' ' ARG . 1.8 mt -90.81 128.77 42.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 120.781 0.324 . . . . 0.0 110.984 -178.313 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 13.8 p -82.68 171.89 13.52 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.303 178.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -56.79 -47.83 79.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 123.278 0.361 . . . . 0.0 110.904 -176.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -57.71 -46.05 84.91 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.661 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 98.2 m -70.16 -40.88 74.48 Favored 'General case' 0 C--O 1.216 -0.659 0 C-N-CA 121.02 -0.272 . . . . 0.0 110.925 -179.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.812 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 0.2 OUTLIER -55.94 -37.0 68.39 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 121.222 0.534 . . . . 0.0 110.431 174.197 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -75.55 -38.93 58.92 Favored 'General case' 0 N--CA 1.426 -1.648 0 O-C-N 120.785 -1.197 . . . . 0.0 110.694 178.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.49 ' HB3' ' HB2' ' A' ' 68' ' ' TYR . . . -55.88 -31.48 62.85 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 122.527 1.156 . . . . 0.0 109.207 169.67 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.812 ' HB2' ' O ' ' A' ' 59' ' ' GLN . 0.3 OUTLIER -68.62 -59.12 3.36 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 113.582 -1.644 . . . . 0.0 110.955 177.541 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -71.24 -52.24 20.11 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.376 -1.284 . . . . 0.0 113.126 -170.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 75.5 mtt85 -143.84 -24.86 0.56 Allowed 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 -174.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.466 ' O ' ' HA ' ' A' ' 61' ' ' ALA . 80.4 m-20 -82.22 131.54 55.88 Favored Pre-proline 0 C--N 1.319 -0.743 0 CA-C-O 121.178 0.513 . . . . 0.0 111.654 -175.691 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -79.76 -173.09 1.72 Allowed 'Trans proline' 0 N--CA 1.462 -0.36 0 C-N-CA 122.73 2.287 . . . . 0.0 112.89 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 60.1 m-70 64.85 39.5 6.0 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.777 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.49 ' HB2' ' HB3' ' A' ' 61' ' ' ALA . 68.2 t80 -93.45 -41.26 9.9 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.516 0.674 . . . . 0.0 109.404 174.194 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 8.4 p80 -135.51 134.36 39.41 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 114.935 -1.029 . . . . 0.0 108.727 176.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -80.24 77.23 6.99 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.208 0.528 . . . . 0.0 111.313 -173.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -98.15 139.07 34.5 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.031 178.046 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 24.4 t-80 -88.0 84.45 6.96 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.088 0.47 . . . . 0.0 110.286 -178.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.3 t . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.591 -0.719 . . . . 0.0 109.597 176.852 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 . . . . . 0 N--CA 1.481 1.124 0 N-CA-C 110.859 -0.052 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 12.5 t 63.77 175.89 0.17 Allowed 'General case' 0 C--N 1.341 0.217 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 -174.001 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.3 mtt -97.11 143.78 27.6 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 174.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -118.16 -6.91 10.86 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-O 121.316 0.579 . . . . 0.0 110.259 179.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.563 HD11 ' N ' ' A' ' 3' ' ' LEU . 0.5 OUTLIER -121.63 156.35 33.16 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 179.843 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 36.5 m170 -101.82 123.25 45.46 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 177.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -90.87 122.32 33.48 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.719 -175.238 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.672 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 68.3 m-85 -131.6 138.25 48.74 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 173.746 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.576 ' HB3' ' HB2' ' A' ' 10' ' ' CYS . 34.5 t -77.85 142.93 38.21 Favored 'General case' 0 CA--C 1.503 -0.842 0 CA-C-O 121.554 0.693 . . . . 0.0 112.553 -172.214 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 35.8 ptt180 -72.25 124.42 25.03 Favored 'General case' 0 N--CA 1.436 -1.129 0 CA-C-N 114.259 -1.337 . . . . 0.0 108.903 169.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 88.08 -43.28 0.03 OUTLIER 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 114.089 -1.414 . . . . 0.0 110.885 175.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.576 ' HB2' ' HB3' ' A' ' 7' ' ' CYS . 68.0 m -79.08 -43.08 24.88 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.251 0.548 . . . . 0.0 111.089 177.492 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 79.99 9.67 86.44 Favored Glycine 0 N--CA 1.446 -0.654 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.89 -172.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.535 HG13 ' HB2' ' A' ' 10' ' ' CYS . 2.9 p -76.56 137.85 21.8 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.492 0 CA-C-O 121.497 0.665 . . . . 0.0 112.382 -176.813 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.455 ' HE3' ' CB ' ' A' ' 16' ' ' SER . 18.7 mtpp -73.31 96.89 2.37 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.593 -1.185 . . . . 0.0 109.585 -179.563 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -82.79 -9.47 11.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.026 0.441 . . . . 0.0 110.366 -176.515 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -166.5 79.78 0.11 Allowed Glycine 0 N--CA 1.442 -0.929 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -177.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.455 ' CB ' ' HE3' ' A' ' 13' ' ' LYS . 21.1 m -141.35 90.47 2.31 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-O 121.016 0.436 . . . . 0.0 110.309 -178.302 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -110.68 -17.71 13.32 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 177.12 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -126.56 60.69 1.33 Allowed 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 114.575 -1.193 . . . . 0.0 109.637 176.125 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.4 m -140.29 -22.37 0.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -177.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 41.3 t -60.72 -72.23 0.12 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.681 -0.236 . . . . 0.0 111.477 -176.381 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 22.9 mmt -112.03 26.84 10.2 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.168 0.508 . . . . 0.0 111.435 -178.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.4 p -61.74 136.07 25.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 115.232 -0.895 . . . . 0.0 110.88 -178.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.6 m -72.59 99.71 2.6 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.207 -178.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.6 t -158.24 99.45 1.63 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.519 176.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -96.67 -29.97 13.51 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.531 -0.758 . . . . 0.0 110.596 -172.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.403 ' HB3' ' HB2' ' A' ' 39' ' ' ASP . 22.8 t -92.84 -60.77 1.73 Allowed 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.056 -0.974 . . . . 0.0 110.066 -175.585 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.419 HD12 ' CZ ' ' A' ' 29' ' ' PHE . 2.4 tt 62.91 101.9 0.03 OUTLIER 'General case' 0 C--O 1.233 0.235 0 O-C-N 123.976 0.797 . . . . 0.0 111.485 178.088 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.403 ' HA2' ' HG3' ' A' ' 36' ' ' GLU . . . -68.64 82.39 0.21 Allowed Glycine 0 N--CA 1.446 -0.679 0 CA-C-N 115.486 -0.779 . . . . 0.0 112.25 175.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.464 ' HB2' ' OE1' ' A' ' 36' ' ' GLU . 66.0 m-85 -67.14 -89.39 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.772 0.32 . . . . 0.0 111.387 177.251 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -159.82 -45.98 0.05 Allowed 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 120.759 0.314 . . . . 0.0 111.42 -176.187 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 32.4 t-80 -155.88 58.01 0.6 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.121 0.486 . . . . 0.0 110.376 -177.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.52 ' H ' ' CD ' ' A' ' 36' ' ' GLU . 38.2 tp -88.81 -74.43 0.47 Allowed 'General case' 0 N--CA 1.439 -1.007 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.458 -178.335 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.5 p -156.74 -173.29 4.41 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.419 -174.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.497 ' N ' HD21 ' A' ' 34' ' ' ASN . 0.9 OUTLIER -67.48 -28.32 67.75 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 174.459 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -56.97 -55.48 34.12 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.835 175.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.52 ' CD ' ' H ' ' A' ' 32' ' ' LEU . 19.1 tt0 -51.76 -44.15 63.23 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.288 -1.324 . . . . 0.0 112.034 -179.423 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -56.65 -36.55 69.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.628 -176.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 44.3 t-20 -65.05 -42.51 94.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.946 0.403 . . . . 0.0 110.274 -178.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.403 ' HB2' ' HB3' ' A' ' 26' ' ' SER . 23.1 t70 -76.37 -37.14 57.65 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.021 -178.588 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 49.5 ttm -64.48 -42.36 95.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.09 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 14.6 mm -74.31 152.3 6.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.198 179.529 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 85.1 p 56.99 21.54 6.35 Favored 'General case' 0 C--O 1.233 0.209 0 O-C-N 124.203 0.939 . . . . 0.0 109.369 -167.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 45.2 t80 75.87 146.97 0.09 Allowed 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 114.569 -1.196 . . . . 0.0 111.753 171.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.14 86.28 3.0 Favored 'General case' 0 C--O 1.232 0.172 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 177.202 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -67.49 -11.56 58.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.872 -0.604 . . . . 0.0 112.229 -174.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.43 ' HB2' ' OD1' ' A' ' 48' ' ' ASP . 0.7 OUTLIER -78.87 -10.69 59.88 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.308 -179.042 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.59 26.63 16.97 Favored Glycine 0 C--N 1.332 0.334 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.115 179.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.43 ' OD1' ' HB2' ' A' ' 46' ' ' ASN . 5.0 m-20 -81.61 69.46 8.27 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -172.279 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.412 ' HB ' ' CB ' ' A' ' 3' ' ' LEU . 2.9 t -115.84 94.28 3.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.162 0.506 . . . . 0.0 109.712 172.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -83.33 92.25 7.48 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.805 -177.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.0 m -102.99 134.92 42.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.099 -178.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.672 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 83.8 mt -98.26 108.83 21.63 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.577 177.464 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.407 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 15.2 t -125.07 -176.34 3.54 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.718 -173.437 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 40.1 mt -87.87 126.37 41.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.555 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 17.2 p -83.06 167.7 17.61 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 176.287 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -54.08 -42.95 69.9 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.993 0.425 . . . . 0.0 110.612 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -66.27 -35.39 80.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.141 -178.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.467 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 11.5 m -70.02 -54.16 14.41 Favored 'General case' 0 C--O 1.214 -0.779 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.759 177.132 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.641 ' HA ' ' HB2' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -49.06 -33.12 10.85 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.301 0.64 . . . . 0.0 110.726 174.144 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -60.88 -55.62 30.87 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-O 120.868 0.366 . . . . 0.0 110.968 176.039 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.28 -32.32 73.87 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.82 0.819 . . . . 0.0 109.965 174.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.641 ' HB2' ' HA ' ' A' ' 59' ' ' GLN . 0.4 OUTLIER -61.22 -62.53 1.77 Allowed 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 113.896 -1.502 . . . . 0.0 112.277 -173.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -74.9 -38.37 61.86 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.994 -177.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 27.4 tpt180 -73.93 -36.59 64.7 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.712 -176.007 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.443 ' N ' ' HD3' ' A' ' 66' ' ' PRO . 51.1 m-80 53.31 64.24 7.21 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.595 -177.073 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.443 ' HD3' ' N ' ' A' ' 65' ' ' ASN . 2.1 Cg_endo -82.39 -74.11 0.01 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.809 0 C-N-CA 122.597 2.198 . . . . 0.0 110.961 177.242 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.419 ' O ' ' N ' ' A' ' 69' ' ' HIS . 45.5 m-70 -126.6 -32.52 2.62 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.652 174.603 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 22.8 p90 55.51 -60.92 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 125.765 1.626 . . . . 0.0 114.799 172.402 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.419 ' N ' ' O ' ' A' ' 67' ' ' HIS . 17.7 t-80 -56.93 -41.11 77.62 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 122.998 0.519 . . . . 0.0 110.804 -179.698 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -143.62 148.17 35.44 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.584 -0.734 . . . . 0.0 109.519 -178.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -80.29 107.0 12.73 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.754 0.312 . . . . 0.0 110.63 -178.218 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 15.7 t60 64.19 101.33 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.374 -0.83 . . . . 0.0 112.017 175.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.5 m . . . . . 0 C--O 1.251 1.139 0 CA-C-O 118.299 -0.858 . . . . 0.0 109.612 174.639 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 . . . . . 0 N--CA 1.482 1.157 0 CA-C-O 120.917 0.389 . . . . 0.0 110.07 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 4.3 p -88.84 155.32 19.61 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 175.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.435 ' SD ' ' N ' ' A' ' 1' ' ' MET . 1.0 OUTLIER -68.3 129.38 39.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.047 0.451 . . . . 0.0 109.975 -178.549 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -120.87 -26.99 5.1 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-N 115.154 -0.93 . . . . 0.0 111.005 -176.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.476 ' N ' HD13 ' A' ' 3' ' ' LEU . 5.5 mp -93.13 144.96 24.77 Favored 'General case' 0 CA--C 1.507 -0.693 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.683 -177.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.447 ' HB3' ' CE2' ' A' ' 6' ' ' TYR . 13.8 m-70 -80.24 123.32 27.84 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.476 -178.283 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.51 ' CD1' HG23 ' A' ' 53' ' ' THR . 2.9 m-30 -96.68 120.16 36.49 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-N 115.038 -0.983 . . . . 0.0 111.011 -175.026 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.548 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 90.3 m-85 -130.74 135.01 47.38 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 173.47 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.628 ' HB3' ' HB2' ' A' ' 10' ' ' CYS . 34.0 t -76.88 140.42 40.57 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 114.082 1.141 . . . . 0.0 114.082 -167.272 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.6 tmm_? -59.09 115.8 3.41 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 113.309 -1.769 . . . . 0.0 109.348 166.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 21.9 t-80 85.93 -47.02 0.06 Allowed 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.921 0.888 . . . . 0.0 111.756 173.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.628 ' HB2' ' HB3' ' A' ' 7' ' ' CYS . 77.4 m -70.92 -42.56 69.74 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.422 0.63 . . . . 0.0 110.596 177.695 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 78.25 9.65 86.82 Favored Glycine 0 N--CA 1.443 -0.834 0 CA-C-N 115.196 -0.911 . . . . 0.0 111.614 -172.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.558 HG13 ' HB2' ' A' ' 10' ' ' CYS . 2.5 p -75.28 137.75 22.3 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 CA-C-O 121.19 0.519 . . . . 0.0 112.178 -175.581 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.483 ' HD2' ' H ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -70.55 97.09 1.26 Allowed 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 114.79 -1.095 . . . . 0.0 109.933 178.725 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -91.79 2.19 8.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 120.995 0.426 . . . . 0.0 110.734 -179.334 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -91.52 31.99 5.51 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.912 -0.661 . . . . 0.0 111.536 177.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.7 t 69.19 117.48 0.04 OUTLIER 'General case' 0 C--O 1.233 0.21 0 CA-C-O 121.731 0.777 . . . . 0.0 111.479 -177.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -102.01 -7.19 22.57 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.631 176.02 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -61.63 142.85 56.89 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.656 -1.157 . . . . 0.0 111.552 -177.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.406 ' C ' ' H ' ' A' ' 21' ' ' MET . 18.4 m -65.97 151.17 47.39 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.006 178.576 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.1 t 75.29 -10.85 1.17 Allowed 'General case' 0 N--CA 1.464 0.247 0 O-C-N 123.783 0.677 . . . . 0.0 110.564 -178.005 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.406 ' H ' ' C ' ' A' ' 19' ' ' SER . 65.2 mtt -105.57 -37.97 6.6 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 175.29 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 69.2 t -71.28 111.86 5.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.135 -0.939 . . . . 0.0 109.15 167.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 25.4 m -92.07 1.11 57.41 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.914 0.387 . . . . 0.0 111.374 -174.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.7 m 58.65 43.71 18.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 122.163 0.982 . . . . 0.0 109.442 -176.204 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -93.58 -7.62 43.55 Favored 'General case' 0 CA--C 1.511 -0.557 0 CA-C-N 114.755 -1.111 . . . . 0.0 109.195 -176.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.444 ' HA ' ' HB3' ' A' ' 46' ' ' ASN . 43.2 t -70.87 58.31 0.21 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 114.377 -1.283 . . . . 0.0 112.33 -175.021 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 28.9 mt -115.49 152.56 32.75 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.265 0.555 . . . . 0.0 110.126 171.293 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 176.92 92.38 0.08 OUTLIER Glycine 0 N--CA 1.436 -1.341 0 N-CA-C 109.94 -1.264 . . . . 0.0 109.94 -178.234 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -70.76 174.64 5.77 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-O 122.13 0.967 . . . . 0.0 110.71 -173.509 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -144.34 -54.31 0.34 Allowed 'General case' 0 C--N 1.304 -1.396 0 CA-C-N 113.824 -1.535 . . . . 0.0 109.336 -169.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 75.0 m-70 -112.38 98.56 7.36 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 113.881 -1.509 . . . . 0.0 110.228 -178.031 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.542 ' HB2' ' HB2' ' A' ' 36' ' ' GLU . 0.7 OUTLIER -150.51 151.42 32.65 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.522 -176.852 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.4 p -87.77 -178.5 6.07 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.136 178.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 54.2 m-80 -57.19 -34.94 69.0 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.017 0.437 . . . . 0.0 109.914 177.339 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -77.37 -40.75 42.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.979 -0.555 . . . . 0.0 112.172 -176.403 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.542 ' HB2' ' HB2' ' A' ' 32' ' ' LEU . 46.9 mt-10 -70.75 -27.17 63.74 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 179.191 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.464 ' HA ' HD13 ' A' ' 32' ' ' LEU . 42.4 ttm180 -72.07 -31.75 66.4 Favored 'General case' 0 N--CA 1.438 -1.046 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.591 176.178 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -66.86 -44.08 81.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.754 0.311 . . . . 0.0 110.305 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -62.97 -36.38 83.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.158 0.504 . . . . 0.0 110.729 177.135 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 14.9 tpt -94.14 7.28 45.81 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.731 -175.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.497 ' O ' ' HB2' ' A' ' 42' ' ' SER . 51.1 mm 69.16 -70.16 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.558 -175.731 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.497 ' HB2' ' O ' ' A' ' 41' ' ' ILE . 32.4 t 162.06 -31.14 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 123.953 0.901 . . . . 0.0 108.914 179.763 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.526 ' OH ' ' HA2' ' A' ' 47' ' ' GLY . 62.5 t80 -83.12 144.43 29.87 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.938 -1.028 . . . . 0.0 111.091 -174.254 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -79.0 111.44 15.21 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.276 175.246 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -51.82 -29.74 20.52 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 -172.017 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.444 ' HB3' ' HA ' ' A' ' 26' ' ' SER . 8.1 p30 -77.68 -5.64 51.18 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.916 -0.313 . . . . 0.0 111.393 -176.646 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.526 ' HA2' ' OH ' ' A' ' 43' ' ' TYR . . . 87.05 -1.73 86.75 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.238 179.553 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 29.2 t70 54.42 45.92 26.08 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.775 0.798 . . . . 0.0 110.147 -176.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.441 ' CG2' ' HA ' ' A' ' 3' ' ' LEU . 2.6 m -115.8 93.49 2.58 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.816 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.31 179.671 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 13.6 t60 -120.88 95.66 4.8 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.372 -177.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 12.9 m -109.31 137.74 39.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-O 121.169 0.509 . . . . 0.0 111.765 -175.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.548 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 3.1 mm? -96.24 109.03 21.58 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.24 176.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.587 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 13.8 t -123.11 170.46 10.18 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.84 -174.005 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.5 mt -87.17 123.39 39.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.035 176.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.452 ' SG ' ' HB3' ' A' ' 57' ' ' ASP . 19.7 p -72.27 165.3 24.72 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.323 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -55.34 -39.77 70.4 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.254 0.55 . . . . 0.0 109.773 179.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.452 ' HB3' ' SG ' ' A' ' 55' ' ' CYS . 31.2 t70 -63.36 -38.66 92.03 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.056 179.599 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.714 ' O ' HD21 ' A' ' 62' ' ' LEU . 8.1 m -68.68 -55.75 10.39 Favored 'General case' 0 C--O 1.222 -0.342 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.89 177.422 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.548 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 4.0 tt0 -49.05 -31.93 8.63 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.245 0.545 . . . . 0.0 111.547 -178.207 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -65.6 -56.04 14.35 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.419 0.628 . . . . 0.0 110.959 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.3 -31.3 67.36 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.435 174.203 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.714 HD21 ' O ' ' A' ' 58' ' ' CYS . 0.8 OUTLIER -62.48 -61.9 2.12 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 113.985 -1.462 . . . . 0.0 112.021 -176.324 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -59.05 -31.91 69.28 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.752 -179.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 54.4 ttp180 -67.23 -67.83 0.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.44 177.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -136.06 125.32 15.87 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.354 -175.393 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_exo -56.23 -40.49 84.41 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.919 2.412 . . . . 0.0 111.915 178.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 36.3 m170 -109.24 63.46 0.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.345 176.21 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 54.7 p90 -69.21 -15.35 63.37 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.248 -177.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 49.1 t60 -127.12 52.39 1.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.174 0.512 . . . . 0.0 109.811 -176.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -83.77 37.37 0.59 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.426 -177.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -66.9 -47.32 72.17 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.266 0.555 . . . . 0.0 109.546 176.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 52.0 t60 -141.1 90.61 2.33 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.292 176.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.2 t . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.065 -0.969 . . . . 0.0 110.12 -178.988 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . . 27.9 pt20 . . . . . 0 N--CA 1.481 1.102 0 CA-C-O 120.456 0.17 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 38.1 m -141.16 147.65 38.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.753 0.311 . . . . 0.0 110.719 -177.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.2 ptt? -105.78 141.35 37.36 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.405 0.622 . . . . 0.0 110.407 176.013 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.413 ' O ' HG23 ' A' ' 49' ' ' VAL . . . -97.1 -32.21 12.08 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.29 -178.082 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.428 ' HA ' ' CG2' ' A' ' 49' ' ' VAL . 5.6 mp -135.11 155.03 51.41 Favored 'General case' 0 CA--C 1.503 -0.828 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 175.318 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 67.3 m80 -89.27 124.12 34.11 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.642 -178.159 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.714 ' HB2' ' N ' ' A' ' 15' ' ' GLY . 14.3 m-30 -91.66 137.54 32.28 Favored 'General case' 0 C--N 1.309 -1.192 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.433 177.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.557 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 68.0 m-85 -140.4 122.99 16.21 Favored 'General case' 0 C--N 1.311 -1.108 0 N-CA-C 106.546 -1.65 . . . . 0.0 106.546 175.546 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.584 ' HB3' ' HB2' ' A' ' 10' ' ' CYS . 49.4 t -71.64 130.13 40.41 Favored 'General case' 0 CA--C 1.502 -0.888 0 C-N-CA 119.238 -0.985 . . . . 0.0 112.129 -172.534 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.446 ' NH2' HD11 ' A' ' 62' ' ' LEU . 32.4 ptt180 -55.17 125.94 22.71 Favored 'General case' 0 N--CA 1.438 -1.036 0 CA-C-N 113.744 -1.571 . . . . 0.0 109.691 174.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.424 ' HB3' ' O ' ' A' ' 8' ' ' ARG . 50.5 t-80 79.82 -21.74 0.31 Allowed 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 114.385 -1.279 . . . . 0.0 111.594 175.177 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.584 ' HB2' ' HB3' ' A' ' 7' ' ' CYS . 99.4 m -94.44 -40.34 9.96 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.063 0.459 . . . . 0.0 111.602 178.466 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 81.6 0.07 88.73 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.114 -176.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.462 HG13 ' CB ' ' A' ' 10' ' ' CYS . 2.2 p -70.34 140.6 18.24 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.542 0 CA-C-O 120.861 0.362 . . . . 0.0 111.462 -177.508 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -81.8 93.84 6.92 Favored 'General case' 0 CA--C 1.501 -0.918 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 -179.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.7 p -104.74 11.26 8.63 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.446 0 CA-C-N 114.663 -1.153 . . . . 0.0 110.363 -169.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.714 ' N ' ' HB2' ' A' ' 5' ' ' TYR . . . -93.89 -20.97 29.52 Favored Glycine 0 CA--C 1.506 -0.527 0 CA-C-N 114.705 -1.134 . . . . 0.0 110.57 171.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.9 p -95.39 70.58 3.15 Favored 'General case' 0 N--CA 1.445 -0.725 0 CA-C-O 121.59 0.709 . . . . 0.0 110.268 177.023 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.462 HD21 ' H ' ' A' ' 17' ' ' LEU . 2.6 pt? -111.92 -24.69 9.82 Favored 'General case' 0 CA--C 1.508 -0.649 0 CA-C-N 115.333 -0.848 . . . . 0.0 109.088 -179.151 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -91.97 -29.16 16.78 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 114.775 -1.102 . . . . 0.0 108.039 171.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.7 m -85.46 68.53 10.48 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 114.327 -1.306 . . . . 0.0 108.963 170.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.0 m -78.65 -53.24 7.38 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.598 -173.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 26.5 ptt? -117.14 7.74 13.1 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.659 0.742 . . . . 0.0 109.012 177.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 90.2 t -69.15 116.32 9.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 114.592 -1.185 . . . . 0.0 110.2 178.052 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.6 p -67.03 147.87 52.65 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.117 177.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.3 p -75.85 80.29 2.76 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.166 0.507 . . . . 0.0 111.203 -178.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -92.29 -32.93 14.83 Favored 'General case' 0 CA--C 1.508 -0.654 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 177.052 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.8 t -77.66 73.87 4.23 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 114.49 -1.232 . . . . 0.0 109.876 178.041 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 98.3 mt -129.7 167.43 18.03 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.225 176.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -80.57 51.71 4.27 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.748 -176.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.574 ' CD2' HD22 ' A' ' 32' ' ' LEU . 45.9 m-85 -128.53 -165.0 1.44 Allowed 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.406 ' HG3' ' N ' ' A' ' 31' ' ' HIS . 3.9 pt20 -105.98 -50.06 3.26 Favored 'General case' 0 C--N 1.316 -0.858 0 C-N-CA 120.187 -0.605 . . . . 0.0 110.309 -176.431 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.406 ' N ' ' HG3' ' A' ' 30' ' ' GLN . 44.8 t-80 -177.31 63.3 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 106.591 -1.633 . . . . 0.0 106.591 -177.799 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.574 HD22 ' CD2' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -59.71 153.08 21.13 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 114.962 -1.017 . . . . 0.0 113.259 -168.284 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.504 ' O ' ' HG3' ' A' ' 37' ' ' ARG . 9.0 t -136.32 -174.81 3.79 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 114.21 -1.359 . . . . 0.0 108.283 -178.796 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -49.9 -34.98 22.02 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 118.059 0.391 . . . . 0.0 111.612 -176.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -72.77 -55.54 6.58 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.153 0.502 . . . . 0.0 111.264 176.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.417 ' O ' ' HB2' ' A' ' 40' ' ' MET . 21.6 tt0 -65.5 -29.58 70.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.905 -175.143 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.504 ' HG3' ' O ' ' A' ' 33' ' ' THR . 17.8 mtm180 -72.02 -33.13 67.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.01 0.434 . . . . 0.0 110.43 177.148 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -78.35 -47.8 16.94 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.468 -179.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -73.68 -56.77 4.57 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.648 -178.217 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.479 ' HB3' ' CE1' ' A' ' 29' ' ' PHE . 26.1 mmt -82.12 -11.89 58.5 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.199 -175.201 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 63.9 mt 73.74 134.64 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 O-C-N 123.987 0.805 . . . . 0.0 111.257 179.281 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.414 ' OG ' ' HB3' ' A' ' 37' ' ' ARG . 19.8 m -79.2 48.32 0.86 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.045 0.45 . . . . 0.0 110.935 178.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -158.47 155.9 29.34 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.539 -175.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -69.76 104.81 2.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.837 0.351 . . . . 0.0 110.326 178.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -70.1 -28.1 65.13 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.264 -173.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -87.34 4.53 42.57 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.203 0.525 . . . . 0.0 110.438 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.25 -35.31 2.98 Favored Glycine 0 N--CA 1.447 -0.568 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.805 -178.018 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.498 ' CG ' ' H ' ' A' ' 49' ' ' VAL . 27.4 t70 53.25 -153.03 0.27 Allowed 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 122.882 0.473 . . . . 0.0 110.478 177.054 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.498 ' H ' ' CG ' ' A' ' 48' ' ' ASP . 2.5 m -77.97 108.39 11.23 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 CA-C-O 121.018 0.437 . . . . 0.0 109.941 175.716 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 49.8 p-80 -136.77 123.99 21.8 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.406 -176.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 15.6 m -128.44 136.14 60.75 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.523 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.557 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 83.0 mt -89.89 115.47 27.23 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.679 178.233 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.435 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 12.2 t -127.86 -171.28 2.4 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.678 -173.538 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.4 mt -102.08 120.82 52.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.873 -178.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.509 ' SG ' ' HB3' ' A' ' 57' ' ' ASP . 16.1 p -73.9 165.13 25.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.81 174.813 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -53.27 -41.53 65.63 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.701 0.286 . . . . 0.0 111.253 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.509 ' HB3' ' SG ' ' A' ' 55' ' ' CYS . 16.7 t70 -57.26 -48.87 77.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.058 178.094 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.446 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 69.5 m -67.9 -36.3 79.97 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.195 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.575 ' HA ' HE21 ' A' ' 59' ' ' GLN . 0.0 OUTLIER -52.63 -34.82 53.11 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.995 173.896 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -72.38 -44.67 62.2 Favored 'General case' 0 N--CA 1.439 -1.025 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.805 -179.422 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.36 -32.68 74.45 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 177.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.446 ' HB2' ' O ' ' A' ' 58' ' ' CYS . 0.5 OUTLIER -63.3 -58.77 6.06 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 113.81 -1.541 . . . . 0.0 111.709 176.574 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -56.84 -31.59 64.91 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 114.512 -1.222 . . . . 0.0 110.93 177.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -72.06 -58.59 3.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.656 177.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -127.83 95.71 34.02 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.09 178.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -55.56 152.44 33.66 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 123.426 2.75 . . . . 0.0 113.642 -174.44 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 63.1 m-70 64.54 80.51 0.23 Allowed 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.215 -178.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -90.88 75.44 6.42 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 178.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 32.1 m170 57.56 55.01 5.94 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.09 -176.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -143.2 139.8 30.45 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.16 -174.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -94.9 135.1 36.82 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 177.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 32.0 p-80 -71.82 114.1 9.56 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.17 0.51 . . . . 0.0 110.647 179.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 34.6 p . . . . . 0 C--O 1.253 1.238 0 CA-C-O 118.679 -0.676 . . . . 0.0 110.423 -179.259 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . . 25.3 mp0 . . . . . 0 N--CA 1.478 0.968 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 32.8 m -105.68 45.92 0.95 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.406 0.622 . . . . 0.0 110.101 177.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.445 ' SD ' HD13 ' A' ' 17' ' ' LEU . 26.2 ptt? -148.93 160.04 43.64 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.351 -0.841 . . . . 0.0 109.297 -178.199 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.436 ' O ' HG21 ' A' ' 49' ' ' VAL . . . -144.0 -72.9 0.27 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.015 0.436 . . . . 0.0 110.819 178.256 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.463 ' N ' HD12 ' A' ' 3' ' ' LEU . 5.7 mp -120.23 155.63 32.81 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.909 179.304 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.493 ' NE2' HD11 ' A' ' 17' ' ' LEU . 9.1 m170 -89.17 122.49 32.51 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 -177.169 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.53 ' HB2' ' N ' ' A' ' 15' ' ' GLY . 3.8 m-30 -90.93 121.44 32.76 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.454 -179.201 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.481 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 64.9 m-85 -127.99 128.45 45.05 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 174.694 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.615 ' HB3' ' HB2' ' A' ' 10' ' ' CYS . 24.6 t -73.44 144.55 46.26 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 -168.069 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 34.7 ttp85 -54.74 112.97 1.14 Allowed 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 113.658 -1.61 . . . . 0.0 109.977 168.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 81.91 -46.31 0.19 Allowed 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.078 0.951 . . . . 0.0 111.597 174.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.615 ' HB2' ' HB3' ' A' ' 7' ' ' CYS . 48.9 m -70.72 -35.18 72.59 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.091 0.472 . . . . 0.0 111.441 -178.766 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 75.76 -2.5 54.26 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.961 -0.638 . . . . 0.0 112.159 -175.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.567 HG12 ' HB2' ' A' ' 10' ' ' CYS . 2.5 p -65.17 135.28 28.54 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 CA-C-O 121.448 0.642 . . . . 0.0 112.051 -177.123 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.462 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 54.0 mttp -72.84 98.79 2.51 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 114.403 -1.271 . . . . 0.0 109.71 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -82.33 -3.46 7.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.375 0.607 . . . . 0.0 109.99 -177.659 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.53 ' N ' ' HB2' ' A' ' 5' ' ' TYR . . . -143.73 93.14 0.17 Allowed Glycine 0 N--CA 1.442 -0.926 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.173 179.186 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 43.9 t -79.78 135.31 36.46 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.162 0.506 . . . . 0.0 110.847 -178.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.493 HD11 ' NE2' ' A' ' 4' ' ' HIS . 2.1 pt? -146.46 -38.56 0.22 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.007 176.495 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -73.25 -46.93 47.23 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.272 -0.876 . . . . 0.0 109.809 176.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.0 m -67.81 -17.15 64.42 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.377 -0.828 . . . . 0.0 110.598 178.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.3 m -96.15 11.45 34.29 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.604 -177.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 24.7 ptm -150.1 -35.31 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 121.141 -0.224 . . . . 0.0 111.093 178.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.8 t 62.76 97.55 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.448 -0.55 0 C-N-CA 123.135 0.574 . . . . 0.0 111.764 178.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.9 t 75.31 121.8 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 114.683 -1.144 . . . . 0.0 111.004 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 10.8 p -82.08 154.14 25.75 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.751 179.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -89.08 -22.42 22.92 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 -178.138 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 43.0 t -59.63 116.41 4.01 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.21 177.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 42.3 tp -69.23 -59.72 2.83 Favored 'General case' 0 N--CA 1.432 -1.361 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.428 178.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 61.6 54.91 31.98 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.169 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.405 ' HB2' ' OE2' ' A' ' 36' ' ' GLU . 0.3 OUTLIER -73.17 -83.12 0.05 OUTLIER 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.994 0.426 . . . . 0.0 110.26 179.466 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 172.95 -43.03 0.01 OUTLIER 'General case' 0 N--CA 1.443 -0.779 0 CA-C-N 115.146 -0.934 . . . . 0.0 109.174 -175.164 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 54.2 t60 -171.13 55.0 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.039 -176.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 50.8 tp -59.03 -67.54 0.36 Allowed 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 121.332 0.587 . . . . 0.0 109.946 178.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -160.86 -175.66 5.07 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.083 -0.962 . . . . 0.0 109.081 177.365 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -58.79 -30.56 67.67 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.574 0.226 . . . . 0.0 110.874 179.154 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -56.26 -44.14 79.41 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.137 176.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.405 ' OE2' ' HB2' ' A' ' 29' ' ' PHE . 29.5 tt0 -72.8 -40.86 65.54 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 120.901 -0.32 . . . . 0.0 110.552 177.811 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.494 ' HA ' ' HA ' ' A' ' 41' ' ' ILE . 32.9 mtm180 -59.22 -40.11 84.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.285 -173.81 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -78.39 -40.51 35.9 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.454 -0.499 . . . . 0.0 111.759 -177.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -79.45 -58.12 3.36 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -175.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 3.7 mpp? -111.46 -12.84 13.95 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -173.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.518 HG21 ' H ' ' A' ' 42' ' ' SER . 9.6 tt 50.37 -72.97 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 124.888 1.275 . . . . 0.0 112.945 -172.202 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.518 ' H ' HG21 ' A' ' 41' ' ' ILE . 45.5 m -157.56 26.08 0.29 Allowed 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 176.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.61 ' OH ' ' HA2' ' A' ' 47' ' ' GLY . 55.2 t80 -123.15 130.5 52.85 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.849 -172.443 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 66.0 mmtt -72.01 133.32 45.24 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.311 177.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -67.55 -11.64 58.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.036 0.446 . . . . 0.0 110.63 179.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -69.42 -20.83 63.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.319 178.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.61 ' HA2' ' OH ' ' A' ' 43' ' ' TYR . . . 92.24 -31.57 5.95 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.939 -0.648 . . . . 0.0 114.095 171.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 24.8 t70 51.66 60.39 3.89 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 122.187 0.994 . . . . 0.0 109.094 -170.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.436 HG21 ' O ' ' A' ' 2' ' ' ALA . 0.0 OUTLIER -130.06 117.21 39.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 114.743 -1.117 . . . . 0.0 110.874 -174.428 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 42.3 p-80 -127.19 138.51 53.14 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 178.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.424 HG23 ' HA ' ' A' ' 5' ' ' TYR . 1.3 m -133.42 124.73 49.24 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.72 -179.79 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.481 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 3.1 mm? -84.95 109.7 18.35 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.282 177.346 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 14.5 t -133.13 -174.34 3.46 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.366 -177.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.3 mt -100.29 119.64 48.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.308 -175.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.401 ' SG ' ' HB3' ' A' ' 57' ' ' ASP . 19.6 p -68.24 166.14 16.99 Favored 'General case' 0 CA--C 1.522 -0.105 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.842 176.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.421 ' O ' ' HB3' ' A' ' 59' ' ' GLN . 42.6 mt-10 -58.5 -32.67 69.03 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.696 0.284 . . . . 0.0 110.564 -178.277 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.401 ' HB3' ' SG ' ' A' ' 55' ' ' CYS . 23.2 t70 -66.57 -44.72 81.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.727 178.101 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.411 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 33.2 m -65.09 -42.0 94.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.029 0.443 . . . . 0.0 110.065 174.661 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.421 ' HB3' ' O ' ' A' ' 56' ' ' GLU . 21.6 tp60 -51.6 -36.18 44.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.784 173.506 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -73.97 -43.96 56.39 Favored 'General case' 0 N--CA 1.434 -1.243 0 CA-C-O 120.902 0.382 . . . . 0.0 111.416 179.036 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.77 ' O ' ' HB3' ' A' ' 65' ' ' ASN . . . -60.98 -29.02 69.43 Favored 'General case' 0 CA--C 1.507 -0.705 0 CA-C-O 122.628 1.204 . . . . 0.0 108.516 177.482 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.411 ' HB2' ' O ' ' A' ' 58' ' ' CYS . 0.5 OUTLIER -75.16 -60.2 2.4 Favored 'General case' 0 N--CA 1.427 -1.6 0 CA-C-N 113.514 -1.675 . . . . 0.0 112.065 -179.384 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -66.17 -42.21 89.25 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 114.733 -1.122 . . . . 0.0 112.552 -173.234 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -132.38 83.95 2.11 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.56 0.695 . . . . 0.0 111.383 -175.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.77 ' HB3' ' O ' ' A' ' 61' ' ' ALA . 6.9 p30 -124.51 143.95 44.7 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.036 -177.295 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -76.11 -31.65 4.72 Favored 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 122.478 2.118 . . . . 0.0 112.212 174.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 8.3 p80 -174.23 46.11 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.097 0.475 . . . . 0.0 111.491 177.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -84.65 -41.92 15.85 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.947 0.403 . . . . 0.0 110.699 -178.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 9.1 p80 -144.85 143.99 30.89 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -70.89 93.04 0.95 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.158 0.504 . . . . 0.0 111.165 -177.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 7.1 p90 -73.55 -15.09 61.3 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.501 176.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 57.4 t60 -81.1 -20.2 42.0 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.95 176.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.8 m . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.946 -0.55 . . . . 0.0 110.266 -177.817 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . . 78.6 mm-40 . . . . . 0 N--CA 1.48 1.053 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 21.2 m -109.8 6.38 23.43 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.505 176.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.8 ttp -136.22 144.76 45.05 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-O 121.563 0.697 . . . . 0.0 111.997 -175.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.432 ' O ' HG22 ' A' ' 49' ' ' VAL . . . -124.73 -54.34 1.65 Allowed 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 114.354 -1.294 . . . . 0.0 109.112 173.703 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.426 HD11 ' N ' ' A' ' 3' ' ' LEU . 6.3 mp -105.62 152.12 23.51 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 114.967 -1.015 . . . . 0.0 108.912 174.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.482 ' HB3' ' CE2' ' A' ' 6' ' ' TYR . 77.0 m80 -87.63 123.74 32.8 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 179.624 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.477 ' CD2' HG21 ' A' ' 53' ' ' THR . 2.4 m-30 -101.77 112.25 24.78 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.199 -0.91 . . . . 0.0 111.039 -174.252 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.542 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 80.6 m-85 -124.0 135.4 53.6 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 174.677 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.6 ' HB3' ' HB2' ' A' ' 10' ' ' CYS . 9.1 t -82.02 131.96 35.25 Favored 'General case' 0 CA--C 1.505 -0.771 0 C-N-CA 120.07 -0.652 . . . . 0.0 112.68 -171.819 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.442 ' HD2' ' O ' ' A' ' 8' ' ' ARG . 3.3 ppt_? -66.6 124.28 22.39 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-N 114.671 -1.149 . . . . 0.0 108.849 170.779 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.415 ' HB3' ' O ' ' A' ' 8' ' ' ARG . 45.2 t60 90.51 -17.07 0.2 Allowed 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 114.289 -1.323 . . . . 0.0 110.856 172.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.6 ' HB2' ' HB3' ' A' ' 7' ' ' CYS . 63.0 m -110.6 -39.69 4.82 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.993 0.425 . . . . 0.0 111.4 179.351 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 81.25 3.98 90.56 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.866 -0.683 . . . . 0.0 111.833 -174.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.572 HG13 ' HB2' ' A' ' 10' ' ' CYS . 1.9 p -74.58 132.48 33.28 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.459 0 CA-C-O 121.532 0.682 . . . . 0.0 112.391 -177.733 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.495 ' HG3' ' CD1' ' A' ' 6' ' ' TYR . 0.1 OUTLIER -75.56 95.16 3.28 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 114.362 -1.29 . . . . 0.0 109.519 177.72 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -75.67 -31.6 23.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.335 -172.304 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -144.32 51.8 0.62 Allowed Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.087 -176.255 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 43.2 m -148.23 75.63 1.34 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.436 0.636 . . . . 0.0 109.517 178.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -105.41 -15.71 14.94 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.278 -0.874 . . . . 0.0 109.741 -176.403 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.1 mp0 -65.86 -17.09 64.41 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.337 -1.302 . . . . 0.0 111.232 -176.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.5 p -57.31 -28.78 63.36 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.619 178.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 37.5 t -63.13 -25.33 68.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.967 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 53.9 mtm -108.03 -29.6 8.9 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-O 121.48 0.657 . . . . 0.0 109.447 -178.258 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 59.7 t -107.02 97.48 5.71 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.88 0 CA-C-N 114.589 -1.187 . . . . 0.0 110.439 -176.56 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.5 m -75.14 -30.0 60.65 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.638 178.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.0 m -89.26 80.37 6.89 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.309 0.576 . . . . 0.0 110.425 -179.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -96.62 -21.11 17.83 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 178.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 20.1 t -119.46 126.92 52.48 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 114.372 -1.286 . . . . 0.0 109.5 -178.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.0 tt -67.29 -70.46 0.25 Allowed 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.792 -0.448 . . . . 0.0 109.792 178.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 69.98 125.21 0.04 OUTLIER Glycine 0 CA--C 1.519 0.319 0 C-N-CA 120.706 -0.759 . . . . 0.0 113.023 178.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.544 ' CD1' HD12 ' A' ' 32' ' ' LEU . 8.6 p90 -139.89 130.08 25.14 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.557 0.694 . . . . 0.0 111.235 -178.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -100.58 -62.63 1.22 Allowed 'General case' 0 N--CA 1.438 -1.062 0 CA-C-N 114.915 -1.039 . . . . 0.0 109.063 178.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 40.2 t-80 -101.04 112.68 25.2 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 170.213 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.544 HD12 ' CD1' ' A' ' 29' ' ' PHE . 1.6 pt? -127.33 130.68 49.93 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-O 121.615 0.722 . . . . 0.0 110.673 -175.786 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 96.3 m -157.37 -89.55 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.199 -0.91 . . . . 0.0 109.442 -175.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 15.1 p-10 -77.05 -28.84 54.94 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 170.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.409 ' O ' ' HB2' ' A' ' 39' ' ' ASP . 10.5 mt-10 -62.26 -36.61 82.59 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.22 -1.354 . . . . 0.0 109.33 174.234 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -65.43 -50.73 64.32 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.431 -1.259 . . . . 0.0 109.995 175.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -64.85 -54.56 29.05 Favored 'General case' 0 N--CA 1.442 -0.83 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.784 -175.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -75.5 -57.76 3.69 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.934 -173.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.409 ' HB2' ' O ' ' A' ' 35' ' ' GLU . 5.1 m-20 -73.91 -56.06 5.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.929 -173.815 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 18.7 ttt -77.12 -43.38 34.32 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.621 -174.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 47.8 mt 65.77 -76.85 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.384 -174.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 67.6 m -160.97 11.74 0.09 Allowed 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 122.544 0.338 . . . . 0.0 110.49 178.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 30.2 p90 -131.5 162.63 29.81 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.289 0.566 . . . . 0.0 111.597 -173.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -100.43 148.21 24.99 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.4 175.181 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -64.97 -18.93 65.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.299 0.571 . . . . 0.0 110.805 -178.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -74.32 -8.39 56.08 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.162 176.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.1 -3.37 38.47 Favored Glycine 0 N--CA 1.449 -0.465 0 N-CA-C 111.346 -0.701 . . . . 0.0 111.346 -176.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 29.3 t70 57.04 22.22 7.11 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 121.782 0.801 . . . . 0.0 110.565 -176.307 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.432 HG22 ' O ' ' A' ' 2' ' ' ALA . 2.2 m -106.67 92.64 2.17 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.72 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.944 178.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -125.4 92.5 3.63 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.115 -0.948 . . . . 0.0 108.806 -176.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.5 m -109.8 134.13 52.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-O 121.326 0.584 . . . . 0.0 112.051 -172.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.542 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 86.2 mt -90.52 115.78 27.92 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.259 174.577 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.477 HG21 ' CD2' ' A' ' 5' ' ' TYR . 14.6 t -128.53 -173.4 2.95 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.706 -173.14 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.427 HD12 HD13 ' A' ' 62' ' ' LEU . 1.7 mt -100.62 122.15 52.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.602 -179.267 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 18.8 p -72.84 166.19 23.43 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 174.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -56.96 -41.26 78.01 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 117.687 0.221 . . . . 0.0 111.29 -175.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -60.36 -39.78 88.41 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.963 0.411 . . . . 0.0 110.879 177.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 13.1 m -66.2 -45.24 81.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.927 176.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.799 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 18.4 tt0 -59.04 -30.97 68.43 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.873 0.368 . . . . 0.0 111.683 173.564 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -71.26 -41.61 69.85 Favored 'General case' 0 N--CA 1.429 -1.487 0 O-C-N 121.191 -0.943 . . . . 0.0 111.025 174.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.24 -31.16 61.28 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 122.207 1.003 . . . . 0.0 109.183 169.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.799 ' HB2' ' O ' ' A' ' 59' ' ' GLN . 0.4 OUTLIER -68.97 -58.72 3.73 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 113.394 -1.73 . . . . 0.0 111.416 178.476 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -67.76 -32.83 73.7 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.41 -1.268 . . . . 0.0 111.91 -176.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.468 ' O ' ' HB2' ' A' ' 65' ' ' ASN . 19.5 ttm180 -114.74 -129.54 0.3 Allowed 'General case' 0 N--CA 1.444 -0.772 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 176.765 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.468 ' HB2' ' O ' ' A' ' 64' ' ' ARG . 45.7 t-20 169.95 82.86 0.03 OUTLIER Pre-proline 0 C--N 1.33 -0.266 0 C-N-CA 123.242 0.617 . . . . 0.0 110.093 -179.503 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -68.82 -49.61 0.71 Allowed 'Trans proline' 0 C--N 1.333 -0.259 0 C-N-CA 122.681 2.254 . . . . 0.0 110.833 172.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -162.79 37.46 0.1 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.483 -0.781 . . . . 0.0 108.98 175.055 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -90.09 95.54 10.26 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.025 -0.988 . . . . 0.0 111.067 -172.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 67.1 m-70 50.93 49.62 20.77 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.907 175.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -89.02 16.71 6.62 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.087 -174.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -81.8 46.79 1.02 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.338 0.59 . . . . 0.0 111.137 179.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 6.7 p-80 -137.53 28.64 2.71 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.327 0.584 . . . . 0.0 110.078 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.7 p . . . . . 0 C--O 1.248 0.998 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.66 -179.213 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' -1' ' ' GLN . . . . . 0.439 ' O ' ' HG2' ' A' ' -1' ' ' GLN . 5.0 pm0 . . . . . 0 N--CA 1.479 0.977 0 CA-C-O 121.479 0.657 . . . . 0.0 110.549 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 26.0 t -148.87 114.86 5.74 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.539 177.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -114.07 174.71 5.81 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.71 -178.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.73 -12.12 56.22 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.233 0.54 . . . . 0.0 110.469 179.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.495 ' CB ' ' HB ' ' A' ' 49' ' ' VAL . 0.3 OUTLIER -118.14 157.91 26.04 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.572 -176.749 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.456 ' O ' ' HB ' ' A' ' 51' ' ' VAL . 1.4 m80 -129.16 127.37 41.25 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.556 -177.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -89.08 116.13 27.13 Favored 'General case' 0 C--N 1.298 -1.672 0 CA-C-N 114.718 -1.128 . . . . 0.0 111.161 -177.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.484 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 99.1 m-85 -124.65 135.24 52.9 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 171.296 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.437 ' SG ' ' HA ' ' A' ' 54' ' ' ILE . 3.2 t -82.47 132.22 35.21 Favored 'General case' 0 CA--C 1.5 -0.944 0 C-N-CA 118.915 -1.114 . . . . 0.0 112.649 -172.532 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.455 ' HG3' ' O ' ' A' ' 8' ' ' ARG . 20.6 ptt180 -62.28 123.34 17.95 Favored 'General case' 0 N--CA 1.436 -1.138 0 CA-C-N 114.246 -1.343 . . . . 0.0 108.942 173.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 26.5 t-80 82.72 -41.21 0.11 Allowed 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.358 168.32 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.512 ' HB2' HG12 ' A' ' 12' ' ' VAL . 26.5 m -72.85 -33.34 66.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.279 0.561 . . . . 0.0 110.063 175.639 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 75.53 12.15 83.9 Favored Glycine 0 N--CA 1.448 -0.561 0 CA-C-N 115.35 -0.841 . . . . 0.0 112.221 179.042 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.512 HG12 ' HB2' ' A' ' 10' ' ' CYS . 1.3 p -83.0 130.35 35.87 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 CA-C-O 121.122 0.487 . . . . 0.0 111.433 -178.565 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.618 ' O ' ' HD3' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -80.29 95.75 6.43 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.979 0.895 . . . . 0.0 109.458 178.748 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -73.52 -35.6 45.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.939 -174.812 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 76.74 -65.81 2.83 Favored Glycine 0 N--CA 1.444 -0.828 0 N-CA-C 110.709 -0.956 . . . . 0.0 110.709 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.3 t -179.3 160.89 1.04 Allowed 'General case' 0 N--CA 1.442 -0.844 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.406 ' N ' HD23 ' A' ' 17' ' ' LEU . 2.5 pt? -166.38 -26.08 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.5 0.667 . . . . 0.0 110.117 -178.278 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -134.51 93.92 3.12 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.107 -0.951 . . . . 0.0 110.067 176.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.9 p -112.59 17.14 19.43 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.409 -177.1 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.1 m -56.7 -42.57 79.37 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.13 -0.941 . . . . 0.0 111.548 -178.417 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 25.5 ptt? -111.82 -0.43 15.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.343 0.592 . . . . 0.0 110.051 -179.281 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 40.0 t -103.61 86.79 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.865 -179.123 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.4 m -133.62 101.95 5.31 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.246 -178.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.6 m -84.16 112.74 20.52 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.094 177.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -85.99 -27.41 24.86 Favored 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 179.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.1 t -81.72 53.44 2.15 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 114.359 -1.292 . . . . 0.0 109.673 177.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 40.0 tp -141.64 96.63 3.01 Favored 'General case' 0 N--CA 1.432 -1.369 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.968 -173.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -86.4 9.2 71.37 Favored Glycine 0 N--CA 1.452 -0.238 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 175.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.431 ' CD1' HD12 ' A' ' 32' ' ' LEU . 22.6 m-85 65.0 -83.14 0.03 OUTLIER 'General case' 0 C--O 1.233 0.224 0 C-N-CA 124.209 1.004 . . . . 0.0 111.223 -179.015 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.446 ' O ' ' HB3' ' A' ' 43' ' ' TYR . 79.1 mt-30 -144.59 -89.24 0.11 Allowed 'General case' 0 CA--C 1.517 -0.302 0 CA-C-O 121.6 0.714 . . . . 0.0 111.073 -175.261 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 69.0 m80 -133.02 69.26 1.48 Allowed 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.771 176.09 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.431 HD12 ' CD1' ' A' ' 29' ' ' PHE . 62.9 mt -63.64 -77.83 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.38 176.542 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.3 m -157.32 157.72 34.68 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.734 -0.667 . . . . 0.0 109.772 178.087 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -50.96 -49.06 60.79 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 120.803 0.335 . . . . 0.0 111.207 179.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -53.76 -39.03 65.01 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.883 -0.599 . . . . 0.0 112.017 179.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -67.12 -46.4 74.25 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.119 0.485 . . . . 0.0 110.314 178.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.535 ' HG2' ' HA ' ' A' ' 42' ' ' SER . 74.2 mtp180 -60.89 -43.15 98.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.294 -0.867 . . . . 0.0 110.967 -178.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -72.87 -26.94 61.63 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.273 -178.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -71.85 -57.34 4.41 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.656 -0.247 . . . . 0.0 111.636 -175.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 46.8 tpp -120.29 -46.94 2.38 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.801 -177.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.412 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 14.8 tt 178.06 160.35 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 -179.3 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.535 ' HA ' ' HG2' ' A' ' 37' ' ' ARG . 67.7 m -68.43 -63.14 1.12 Allowed 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -178.503 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.446 ' HB3' ' O ' ' A' ' 30' ' ' GLN . 30.5 p90 -151.73 -165.42 2.23 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.866 -0.334 . . . . 0.0 111.497 -172.691 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -42.41 121.77 2.03 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.74 0.816 . . . . 0.0 112.105 177.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -70.11 -44.51 68.83 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.544 -178.348 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -103.95 6.39 36.22 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.857 0.836 . . . . 0.0 109.664 -179.251 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.57 ' O ' ' HB2' ' A' ' 48' ' ' ASP . . . 90.48 -36.23 3.64 Favored Glycine 0 N--CA 1.447 -0.578 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.492 -177.637 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.57 ' HB2' ' O ' ' A' ' 47' ' ' GLY . 13.1 t70 165.64 153.82 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 123.925 0.89 . . . . 0.0 108.706 175.743 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.495 ' HB ' ' CB ' ' A' ' 3' ' ' LEU . 6.7 t -105.76 106.65 20.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.051 179.209 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 18.3 t-80 -73.94 103.92 4.61 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 176.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.456 ' HB ' ' O ' ' A' ' 4' ' ' HIS . 66.4 t -107.71 123.09 62.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.446 -171.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.484 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 3.2 mm? -103.16 110.08 21.9 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.859 177.028 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 15.2 t -125.38 -170.66 2.21 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.293 -0.412 . . . . 0.0 109.957 -178.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.586 HG12 ' SG ' ' A' ' 58' ' ' CYS . 0.4 OUTLIER -114.13 114.57 47.08 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 CA-C-O 121.379 0.609 . . . . 0.0 110.388 177.257 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 22.0 p -70.66 -177.89 1.67 Allowed 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.309 177.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -69.53 -32.58 71.49 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.688 -0.233 . . . . 0.0 111.407 -176.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -56.6 -50.78 70.94 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 120.876 0.369 . . . . 0.0 111.448 -178.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.61 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 2.3 p -75.72 -51.5 12.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.822 -178.812 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.543 ' HB2' ' CG2' ' A' ' 54' ' ' ILE . 21.1 tm0? -51.91 -35.84 46.88 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.254 0.622 . . . . 0.0 112.176 -176.792 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -67.53 -56.26 10.21 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 121.061 0.458 . . . . 0.0 110.659 -176.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.9 -32.0 73.18 Favored 'General case' 0 CA--C 1.503 -0.845 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 179.05 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.61 ' HB2' ' O ' ' A' ' 58' ' ' CYS . 0.2 OUTLIER -58.64 -58.64 7.66 Favored 'General case' 0 N--CA 1.44 -0.958 0 CA-C-N 113.731 -1.577 . . . . 0.0 111.451 -177.378 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -73.15 -28.73 62.4 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.791 -177.081 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -74.36 -45.9 44.07 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 111.702 0.26 . . . . 0.0 111.702 -177.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -151.34 160.6 31.61 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 120.96 0.41 . . . . 0.0 111.652 -174.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -74.31 167.01 28.16 Favored 'Trans proline' 0 N--CA 1.461 -0.393 0 C-N-CA 122.585 2.19 . . . . 0.0 111.012 170.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 62.05 53.99 2.86 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 120.899 0.38 . . . . 0.0 110.517 -178.035 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 39.0 p90 -62.16 135.07 57.34 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.52 -178.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 16.3 t-80 74.41 -37.85 0.37 Allowed 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 123.917 0.887 . . . . 0.0 111.458 178.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -81.38 50.59 1.48 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.31 0.576 . . . . 0.0 110.341 176.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -133.72 131.85 39.9 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.406 -178.348 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 16.7 p-80 -57.15 -24.14 52.24 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.836 -177.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 27.8 m . . . . . 0 C--O 1.248 0.984 0 CA-C-O 118.749 -0.643 . . . . 0.0 109.472 177.003 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 . . . . . 0 N--CA 1.482 1.14 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 25.8 t -76.54 -35.17 58.41 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 176.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.5 mtt -92.78 161.61 14.45 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.377 -0.829 . . . . 0.0 108.773 172.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.441 ' O ' HG21 ' A' ' 49' ' ' VAL . . . -96.7 -64.44 1.05 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.186 0.517 . . . . 0.0 110.107 177.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.439 HD12 ' C ' ' A' ' 2' ' ' ALA . 6.6 mp -127.27 153.16 46.48 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.446 177.516 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 35.7 m80 -86.01 121.48 28.7 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 -179.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.458 ' HB2' ' N ' ' A' ' 15' ' ' GLY . 7.6 m-30 -98.75 126.26 44.32 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.305 -173.443 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.527 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 81.8 m-85 -131.36 131.43 43.69 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 173.591 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.552 ' HB3' ' HB2' ' A' ' 10' ' ' CYS . 11.8 t -78.19 137.21 38.04 Favored 'General case' 0 CA--C 1.5 -0.972 0 CA-C-O 121.735 0.779 . . . . 0.0 112.882 -170.342 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.436 ' O ' ' HB3' ' A' ' 9' ' ' HIS . 34.0 ptt180 -65.89 126.48 28.67 Favored 'General case' 0 N--CA 1.435 -1.218 0 CA-C-N 113.836 -1.529 . . . . 0.0 108.674 168.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.436 ' HB3' ' O ' ' A' ' 8' ' ' ARG . 24.3 t60 86.97 -44.39 0.04 OUTLIER 'General case' 0 C--N 1.309 -1.155 0 CA-C-N 114.061 -1.427 . . . . 0.0 110.933 173.595 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.552 ' HB2' ' HB3' ' A' ' 7' ' ' CYS . 61.1 m -78.45 -42.47 29.81 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.275 0.559 . . . . 0.0 111.283 179.749 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 81.44 8.66 86.8 Favored Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 120.522 -0.846 . . . . 0.0 111.6 -173.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.542 HG11 ' HB2' ' A' ' 10' ' ' CYS . 2.4 p -78.09 134.65 27.8 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.571 0 CA-C-O 121.436 0.636 . . . . 0.0 111.736 -178.042 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.7 mttm -76.58 93.93 3.66 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 114.718 -1.128 . . . . 0.0 108.881 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.423 ' HB ' ' HB3' ' A' ' 5' ' ' TYR . 0.3 OUTLIER -69.94 -30.81 45.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.037 -172.717 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.458 ' N ' ' HB2' ' A' ' 5' ' ' TYR . . . -75.32 -9.11 84.29 Favored Glycine 0 C--N 1.329 0.18 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.319 -178.321 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 40.5 t -116.1 150.74 36.87 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 -178.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.406 ' H ' HD21 ' A' ' 17' ' ' LEU . 1.7 pt? -125.35 -20.58 4.77 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.367 0.603 . . . . 0.0 110.252 178.622 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -87.22 -74.64 0.43 Allowed 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.294 178.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.6 m 54.99 42.23 31.22 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.819 175.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 30.1 m -96.76 -64.91 1.0 Allowed 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.619 178.479 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 82.4 mmm -105.98 -12.32 15.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.765 0.317 . . . . 0.0 110.929 178.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.5 p -84.07 76.09 1.15 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 CA-C-O 122.141 0.972 . . . . 0.0 110.73 -178.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.6 m -81.47 63.8 5.93 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.341 178.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.6 t -51.35 138.54 21.13 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.092 -0.958 . . . . 0.0 111.507 -179.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -97.56 -55.61 2.77 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-N 115.405 -0.816 . . . . 0.0 108.837 -177.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 21.3 t 56.97 52.46 9.23 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 121.975 0.893 . . . . 0.0 110.391 172.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 94.0 mt -130.91 159.38 37.6 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.077 -0.965 . . . . 0.0 109.89 -179.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -86.94 45.32 3.41 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 121.298 -0.477 . . . . 0.0 113.589 -173.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.478 ' HB2' ' HA ' ' A' ' 32' ' ' LEU . 36.7 p90 -155.76 141.28 17.8 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.149 0.499 . . . . 0.0 110.635 175.482 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -103.72 -61.85 1.38 Allowed 'General case' 0 CA--C 1.509 -0.619 0 CA-C-O 122.358 1.075 . . . . 0.0 108.137 175.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.496 ' C ' HD22 ' A' ' 32' ' ' LEU . 24.0 p80 -110.23 11.08 23.66 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 113.126 -1.852 . . . . 0.0 108.721 177.067 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.496 HD22 ' C ' ' A' ' 31' ' ' HIS . 1.6 pt? 41.61 -137.44 0.19 Allowed 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 114.012 -1.449 . . . . 0.0 112.713 177.549 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.448 ' O ' ' HB3' ' A' ' 36' ' ' GLU . 58.7 m 66.72 -87.76 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 117.555 0.161 . . . . 0.0 111.195 -173.826 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.406 ' N ' HG22 ' A' ' 33' ' ' THR . 94.1 m-20 -74.54 -36.83 63.14 Favored 'General case' 0 CA--C 1.511 -0.526 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 176.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.426 ' HB2' ' HA ' ' A' ' 32' ' ' LEU . 5.7 mt-10 -73.52 -26.08 60.71 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.824 -1.08 . . . . 0.0 108.998 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.486 ' HB2' ' HB2' ' A' ' 32' ' ' LEU . 39.3 tt0 -56.61 -46.43 80.91 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.341 -1.3 . . . . 0.0 110.943 178.57 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.447 ' O ' HG13 ' A' ' 41' ' ' ILE . 52.3 mtm180 -68.04 -31.97 71.99 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.988 -177.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -73.36 -43.49 60.6 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.167 -178.554 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -67.33 -31.94 72.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.555 179.234 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 15.7 tpt -63.54 -29.12 70.43 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.032 177.25 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' ' 37' ' ' ARG . 73.0 mt -77.36 -65.2 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.516 174.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 44.5 p 176.83 -46.12 0.01 OUTLIER 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.839 -178.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -51.88 119.5 4.34 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.162 -0.927 . . . . 0.0 112.802 -173.151 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 35.4 mmtm -93.49 121.33 34.79 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 114.77 -1.104 . . . . 0.0 108.773 173.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -57.31 -28.09 62.76 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 113.291 0.849 . . . . 0.0 113.291 -174.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -94.52 -6.88 42.76 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.24 0.543 . . . . 0.0 110.352 179.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.64 27.04 63.85 Favored Glycine 0 N--CA 1.445 -0.732 0 N-CA-C 110.706 -0.957 . . . . 0.0 110.706 -172.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -56.37 135.11 54.01 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 121.318 0.58 . . . . 0.0 111.199 -174.075 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.441 HG21 ' O ' ' A' ' 2' ' ' ALA . 0.4 OUTLIER -88.47 93.89 4.48 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.265 -179.469 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -117.28 108.08 15.19 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.008 -175.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.4 m -127.68 143.84 39.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.272 0.558 . . . . 0.0 112.002 -176.512 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.527 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 2.8 mm? -98.48 122.65 41.94 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 175.174 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.437 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 13.8 t -142.8 -172.48 3.66 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 120.907 0.384 . . . . 0.0 111.36 -173.248 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 7.1 mt -88.17 128.92 40.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.993 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 17.6 p -82.75 166.63 18.89 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 173.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.461 ' HB3' ' CZ ' ' A' ' 68' ' ' TYR . 52.9 mp0 -55.06 -45.71 75.34 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.801 0.334 . . . . 0.0 110.794 -177.212 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.412 ' O ' ' HB3' ' A' ' 60' ' ' GLU . 25.1 t70 -61.26 -40.9 95.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.311 179.478 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.677 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 4.6 m -61.02 -53.82 52.45 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.53 176.452 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.407 ' OE1' ' HB2' ' A' ' 63' ' ' ASP . 0.0 OUTLIER -53.2 -37.12 61.71 Favored 'General case' 0 N--CA 1.467 0.376 0 O-C-N 123.712 0.633 . . . . 0.0 110.846 177.916 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.412 ' HB3' ' O ' ' A' ' 57' ' ' ASP . 8.8 tp10 -58.1 -56.99 14.93 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.764 0.792 . . . . 0.0 111.438 -179.672 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.45 -28.22 68.42 Favored 'General case' 0 N--CA 1.44 -0.94 0 CA-C-N 114.275 -1.33 . . . . 0.0 108.203 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.677 ' HB2' ' O ' ' A' ' 58' ' ' CYS . 0.3 OUTLIER -70.07 -57.97 4.36 Favored 'General case' 0 N--CA 1.434 -1.242 0 CA-C-N 113.956 -1.474 . . . . 0.0 111.294 -173.118 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.407 ' HB2' ' OE1' ' A' ' 59' ' ' GLN . 38.8 t70 -73.46 -24.76 60.26 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.735 -178.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 70.23 2.31 3.93 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.512 0.725 . . . . 0.0 112.474 173.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -93.82 117.18 67.21 Favored Pre-proline 0 C--N 1.319 -0.733 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 172.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.417 ' O ' ' HB2' ' A' ' 67' ' ' HIS . 80.5 Cg_exo -47.68 137.09 21.13 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 123.101 2.534 . . . . 0.0 112.497 -177.075 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.417 ' HB2' ' O ' ' A' ' 66' ' ' PRO . 26.6 m-70 70.49 82.3 0.16 Allowed 'General case' 0 C--N 1.328 -0.367 0 O-C-N 123.896 0.748 . . . . 0.0 110.494 -176.632 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.461 ' CZ ' ' HB3' ' A' ' 56' ' ' GLU . 29.3 p90 -51.23 163.11 0.26 Allowed 'General case' 0 C--O 1.236 0.392 0 CA-C-N 115.025 -0.989 . . . . 0.0 111.01 176.281 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 45.1 t60 67.6 67.26 0.38 Allowed 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.315 -0.402 . . . . 0.0 109.923 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 68.13 112.99 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.652 -179.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -74.83 94.15 2.73 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.135 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 29.4 t60 -64.77 100.76 0.42 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.253 179.129 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 26.4 m . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.648 -0.692 . . . . 0.0 110.251 -179.643 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 . . . . . 0 N--CA 1.483 1.209 0 CA-C-O 120.476 0.179 . . . . 0.0 111.058 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 17.0 m 68.08 -55.51 0.5 Allowed 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.443 0.697 . . . . 0.0 112.402 179.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.8 ptp -87.88 177.08 7.08 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.583 -0.281 . . . . 0.0 110.421 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.48 ' O ' HG23 ' A' ' 49' ' ' VAL . . . 77.54 -52.33 0.53 Allowed 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.753 0.821 . . . . 0.0 111.614 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.455 ' HA ' ' HB ' ' A' ' 49' ' ' VAL . 7.1 mp -119.62 154.17 34.39 Favored 'General case' 0 C--N 1.313 -0.986 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 177.289 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.433 ' HB2' ' O ' ' A' ' 49' ' ' VAL . 40.0 m80 -93.2 122.08 35.22 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 108.423 -0.955 . . . . 0.0 108.423 176.403 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.502 ' H ' ' HA3' ' A' ' 15' ' ' GLY . 13.1 m-30 -99.74 129.8 45.89 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.639 -174.566 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.408 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 77.1 m-85 -127.4 132.67 50.08 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-O 121.62 0.724 . . . . 0.0 110.676 176.781 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.642 ' HB3' ' O ' ' A' ' 12' ' ' VAL . 0.0 OUTLIER -76.88 117.86 18.9 Favored 'General case' 0 N--CA 1.437 -1.111 0 CA-C-N 114.521 -1.218 . . . . 0.0 112.137 -174.394 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 32.9 ptt180 -66.18 131.59 46.52 Favored 'General case' 0 N--CA 1.436 -1.131 0 CA-C-N 115.223 -0.899 . . . . 0.0 108.662 166.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 44.6 t-80 90.46 -58.77 0.02 OUTLIER 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 115.316 -0.857 . . . . 0.0 113.26 168.46 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -83.6 -24.77 31.35 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 119.912 -0.715 . . . . 0.0 110.822 -172.071 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 83.62 33.18 22.71 Favored Glycine 0 C--N 1.334 0.435 0 C-N-CA 120.966 -0.635 . . . . 0.0 113.536 174.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.642 ' O ' ' HB3' ' A' ' 7' ' ' CYS . 2.4 p -106.38 139.81 26.55 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-O 121.961 0.886 . . . . 0.0 112.076 176.114 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 31.0 mtmm -89.76 94.77 9.96 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.102 -178.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -71.27 -22.51 22.45 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 CA-C-O 120.831 0.348 . . . . 0.0 111.063 -177.582 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.502 ' HA3' ' H ' ' A' ' 5' ' ' TYR . . . -129.92 55.14 0.77 Allowed Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.071 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.1 m -148.58 59.71 1.08 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.455 0.645 . . . . 0.0 109.472 174.311 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.433 HD21 ' H ' ' A' ' 17' ' ' LEU . 1.1 pt? -114.23 -19.78 11.16 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.168 -0.924 . . . . 0.0 109.382 -177.536 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -128.23 46.79 2.52 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 114.898 -1.046 . . . . 0.0 109.683 173.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 75.1 m -102.61 16.33 26.72 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.103 -179.174 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 51.4 m -74.57 -34.7 62.96 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.604 -179.313 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 22.9 mmt -101.27 -7.36 23.1 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.939 0.4 . . . . 0.0 110.701 -179.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.5 p -141.75 128.41 19.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.086 0.47 . . . . 0.0 110.662 -177.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.493 ' H ' ' HB3' ' A' ' 26' ' ' SER . 80.8 p -144.34 -162.04 1.4 Allowed 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.044 -0.525 . . . . 0.0 109.932 -177.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.2 m -80.4 -31.46 37.7 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.993 0.425 . . . . 0.0 110.681 179.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -90.75 -35.92 14.59 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 -177.12 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.493 ' HB3' ' H ' ' A' ' 23' ' ' SER . 24.7 t -66.18 133.36 50.5 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 114.955 -1.021 . . . . 0.0 109.777 175.844 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.4 mp -84.07 127.38 33.86 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.419 -178.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.426 ' O ' ' HB2' ' A' ' 45' ' ' GLU . . . -82.18 82.47 1.61 Allowed Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.847 -0.692 . . . . 0.0 111.724 176.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 42.5 p90 -124.62 -161.01 0.98 Allowed 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 177.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.401 ' HG2' ' N ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -122.56 -52.24 1.93 Allowed 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.599 178.231 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.401 ' N ' ' HG2' ' A' ' 30' ' ' GLN . 30.3 t60 -179.93 100.23 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.423 ' HB2' ' HB3' ' A' ' 36' ' ' GLU . 1.2 pp -156.12 168.42 27.33 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 120.833 0.349 . . . . 0.0 111.495 -173.13 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.5 p -104.35 178.53 4.53 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.657 173.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.413 ' HA ' ' HD3' ' A' ' 37' ' ' ARG . 77.9 m-20 -64.23 -23.05 67.17 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.225 0.536 . . . . 0.0 109.867 177.365 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -54.84 -55.58 28.74 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.538 172.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.423 ' HB3' ' HB2' ' A' ' 32' ' ' LEU . 4.0 tp10 -67.64 -33.46 75.0 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.898 -1.046 . . . . 0.0 110.653 -177.112 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.524 ' O ' ' HB ' ' A' ' 41' ' ' ILE . 77.7 mtp180 -56.51 -50.06 72.9 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 115.74 -0.663 . . . . 0.0 111.476 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -78.22 -38.23 43.58 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.751 0.31 . . . . 0.0 111.309 -178.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -77.82 -58.29 3.35 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -171.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 16.7 tpt -96.63 -39.8 9.32 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.835 0.35 . . . . 0.0 111.323 -173.132 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.524 ' HB ' ' O ' ' A' ' 37' ' ' ARG . 48.8 mm -73.92 103.84 2.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 121.28 0.562 . . . . 0.0 110.948 -176.64 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.7 m -75.76 -30.22 59.08 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.831 177.16 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 46.9 p90 -161.07 156.51 24.67 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.227 -0.897 . . . . 0.0 108.981 178.174 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 51.4 mtpt -53.36 116.27 2.35 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 123.427 0.454 . . . . 0.0 109.802 176.096 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.426 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 45.0 mt-10 -60.53 -10.47 5.11 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 -168.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -67.52 -20.89 65.49 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.175 0.512 . . . . 0.0 109.758 173.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.39 -11.27 68.44 Favored Glycine 0 N--CA 1.448 -0.54 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.748 176.098 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 31.7 t70 57.08 73.48 0.46 Allowed 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.938 0.875 . . . . 0.0 109.367 -174.304 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 2' ' ' ALA . 2.3 m -107.76 104.51 17.19 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 114.81 -1.086 . . . . 0.0 111.308 -171.156 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 29.7 t60 -134.87 96.4 3.52 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.412 -177.437 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 26.0 m -121.33 143.03 35.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 120.819 0.342 . . . . 0.0 111.159 -176.134 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.408 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 0.9 OUTLIER -101.61 123.67 46.0 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 174.589 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 12.3 t -141.21 -179.94 6.4 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 121.111 0.481 . . . . 0.0 111.031 -172.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 11.1 mt -86.34 114.68 26.23 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.514 -178.22 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.47 ' HB3' ' HB2' ' A' ' 7' ' ' CYS . 8.5 p -79.63 -179.62 6.98 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 176.008 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.447 ' O ' ' HG2' ' A' ' 60' ' ' GLU . 41.8 mt-10 -58.0 -48.04 81.22 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.949 0.405 . . . . 0.0 110.304 177.722 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -64.67 -32.66 74.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.843 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.463 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 14.1 m -61.89 -54.8 36.99 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.065 0.46 . . . . 0.0 110.19 175.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.09 -35.56 67.14 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.583 179.577 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.447 ' HG2' ' O ' ' A' ' 56' ' ' GLU . 13.7 mm-40 -67.67 -45.81 74.15 Favored 'General case' 0 N--CA 1.437 -1.119 0 CA-C-O 120.933 0.397 . . . . 0.0 112.015 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.508 ' HA ' ' HA ' ' A' ' 65' ' ' ASN . . . -63.72 -30.47 71.57 Favored 'General case' 0 CA--C 1.509 -0.597 0 CA-C-O 122.339 1.066 . . . . 0.0 108.376 177.725 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.463 ' HB2' ' O ' ' A' ' 58' ' ' CYS . 0.4 OUTLIER -73.21 -59.54 2.66 Favored 'General case' 0 N--CA 1.43 -1.446 0 CA-C-N 113.132 -1.849 . . . . 0.0 112.25 -175.448 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -72.48 -43.02 64.24 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.355 -174.018 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.543 ' C ' ' HD2' ' A' ' 66' ' ' PRO . 82.4 mtm180 -112.54 -69.19 0.88 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.384 -176.832 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.508 ' HA ' ' HA ' ' A' ' 61' ' ' ALA . 0.2 OUTLIER 103.31 -61.57 0.0 OUTLIER Pre-proline 0 N--CA 1.483 1.196 0 C-N-CA 125.493 1.517 . . . . 0.0 112.49 178.577 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.543 ' HD2' ' C ' ' A' ' 64' ' ' ARG . 45.1 Cg_endo -68.58 -16.85 43.1 Favored 'Trans proline' 0 C--N 1.355 0.921 0 C-N-CA 121.531 1.487 . . . . 0.0 112.133 177.644 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 35.0 m-70 -121.67 113.24 19.46 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.854 178.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 46.4 p90 -146.38 -19.36 0.43 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.637 179.178 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 25.0 t-80 -164.87 77.39 0.31 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.783 0.325 . . . . 0.0 110.554 178.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -82.54 135.48 35.08 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.339 177.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 9.3 p90 -92.21 43.7 1.14 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.093 0.473 . . . . 0.0 111.677 -175.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 34.6 p-80 -149.05 144.44 26.7 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 110.008 -0.368 . . . . 0.0 110.008 178.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.6 m . . . . . 0 C--O 1.249 1.062 0 O-C-N 123.604 0.565 . . . . 0.0 110.293 -178.546 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 . . . . . 0 N--CA 1.482 1.133 0 N-CA-C 110.76 -0.089 . . . . 0.0 110.76 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 24.2 m 67.7 113.14 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.249 0 O-C-N 123.688 0.618 . . . . 0.0 110.52 -174.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 70.8 mtp -83.06 144.23 30.05 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.011 0.434 . . . . 0.0 110.454 -178.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.633 ' O ' HG22 ' A' ' 49' ' ' VAL . . . -126.49 -15.53 5.58 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.59 179.667 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.432 ' HA ' ' HB ' ' A' ' 49' ' ' VAL . 6.0 mp -108.54 158.39 17.6 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 -179.321 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.53 ' O ' ' HB ' ' A' ' 51' ' ' VAL . 36.9 m80 -101.95 123.41 45.82 Favored 'General case' 0 CA--C 1.497 -1.065 0 C-N-CA 120.69 -0.404 . . . . 0.0 109.923 -173.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.574 ' CD1' HG23 ' A' ' 53' ' ' THR . 2.8 m-85 -98.54 111.73 23.99 Favored 'General case' 0 C--N 1.302 -1.46 0 CA-C-N 115.109 -0.95 . . . . 0.0 110.516 -176.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.579 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 81.4 m-85 -120.89 127.13 51.59 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 173.291 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.531 ' HA ' ' O ' ' A' ' 53' ' ' THR . 12.2 t -77.82 127.65 32.74 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 113.24 0.829 . . . . 0.0 113.24 -167.16 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.488 ' O ' ' HB3' ' A' ' 9' ' ' HIS . 0.7 OUTLIER -75.26 126.16 30.45 Favored 'General case' 0 N--CA 1.436 -1.164 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 168.717 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.488 ' HB3' ' O ' ' A' ' 8' ' ' ARG . 44.8 t60 109.69 -32.28 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 124.935 1.294 . . . . 0.0 111.597 171.505 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.762 ' SG ' HG13 ' A' ' 12' ' ' VAL . 11.7 p -128.08 -10.6 5.35 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 119.768 -0.773 . . . . 0.0 112.12 179.801 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 68.17 29.45 73.33 Favored Glycine 0 C--N 1.333 0.377 0 C-N-CA 121.296 -0.478 . . . . 0.0 114.065 174.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.762 HG13 ' SG ' ' A' ' 10' ' ' CYS . 7.7 p -88.37 146.25 6.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.347 0.594 . . . . 0.0 111.648 177.706 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -81.38 104.57 11.92 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.117 174.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -96.1 -7.69 9.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.018 0.437 . . . . 0.0 110.516 -179.046 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.489 ' N ' ' HB2' ' A' ' 5' ' ' TYR . . . -157.66 73.17 0.23 Allowed Glycine 0 N--CA 1.445 -0.758 0 C-N-CA 120.808 -0.71 . . . . 0.0 111.961 -179.538 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 53.6 m -126.4 128.94 47.81 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 178.278 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -114.65 -17.96 11.53 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.282 0.563 . . . . 0.0 110.599 -175.334 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.504 ' HA ' HG22 ' A' ' 22' ' ' VAL . 3.4 mp0 -70.1 144.99 51.92 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.153 -179.172 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 49.6 m 68.4 -44.53 0.51 Allowed 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.732 -174.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.401 ' H ' ' C ' ' A' ' 18' ' ' GLU . 28.0 t -65.33 -40.81 94.15 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.775 0.321 . . . . 0.0 111.018 -178.593 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 17.0 ptm -145.81 -52.92 0.26 Allowed 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.881 -0.328 . . . . 0.0 111.682 -178.015 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.504 HG22 ' HA ' ' A' ' 18' ' ' GLU . 14.1 t 48.07 65.19 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 CA-C-O 121.386 0.612 . . . . 0.0 110.87 -174.616 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 41.5 m -153.25 65.93 0.77 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.224 0.535 . . . . 0.0 110.464 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.6 p -126.53 162.34 25.89 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.008 178.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -92.85 -18.0 23.38 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 178.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.6 t -92.83 151.6 19.9 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 114.84 -1.073 . . . . 0.0 109.114 176.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 92.7 mt 69.55 129.43 0.03 OUTLIER 'General case' 0 C--O 1.231 0.092 0 O-C-N 124.022 0.826 . . . . 0.0 111.032 -173.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.463 ' HA2' ' HB2' ' A' ' 35' ' ' GLU . . . -88.55 -14.63 61.3 Favored Glycine 0 N--CA 1.447 -0.615 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.74 178.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 61.27 17.92 8.69 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 123.221 0.609 . . . . 0.0 111.287 179.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.416 ' HA ' ' CG ' ' A' ' 39' ' ' ASP . 2.6 pt20 60.21 -46.16 0.1 Allowed 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 126.316 1.846 . . . . 0.0 113.94 178.165 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.433 ' HA ' ' CG ' ' A' ' 36' ' ' GLU . 23.5 t60 -146.85 87.04 1.67 Allowed 'General case' 0 C--N 1.317 -0.829 0 O-C-N 122.169 -0.332 . . . . 0.0 110.488 -178.337 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.459 HD21 ' CD ' ' A' ' 35' ' ' GLU . 63.4 tp -130.72 -83.35 0.53 Allowed 'General case' 0 N--CA 1.444 -0.765 0 C-N-CA 121.054 -0.258 . . . . 0.0 111.339 178.465 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.414 HG21 ' N ' ' A' ' 34' ' ' ASN . 83.7 m -150.25 -98.07 0.07 Allowed 'General case' 0 CA--C 1.543 0.682 0 O-C-N 121.885 -0.509 . . . . 0.0 112.352 178.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.414 ' N ' HG21 ' A' ' 33' ' ' THR . 86.2 m-20 -81.01 -34.6 32.8 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-O 121.718 0.771 . . . . 0.0 109.367 -176.232 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.499 ' CD ' ' H ' ' A' ' 35' ' ' GLU . 1.1 pm0 -70.75 -24.09 62.54 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 114.648 -1.16 . . . . 0.0 110.168 176.261 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.433 ' CG ' ' HA ' ' A' ' 31' ' ' HIS . 3.6 tm-20 -59.08 -41.03 87.07 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.306 173.542 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 59.8 mtm180 -63.93 -33.58 76.02 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.497 176.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -77.83 -20.48 53.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.454 179.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.416 ' CG ' ' HA ' ' A' ' 30' ' ' GLN . 9.7 t70 -78.46 -16.11 57.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.71 177.495 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 67.4 mtt -64.06 -23.71 67.43 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.693 179.26 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.473 ' C ' ' H ' ' A' ' 43' ' ' TYR . 10.4 tt -119.38 130.01 74.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.895 175.587 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.429 ' HB2' ' O ' ' A' ' 41' ' ' ILE . 38.2 m 71.43 -22.76 0.19 Allowed 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.473 ' H ' ' C ' ' A' ' 41' ' ' ILE . 5.1 p90 42.27 -108.39 0.1 Allowed 'General case' 0 C--O 1.233 0.218 0 C-N-CA 123.916 0.887 . . . . 0.0 111.883 -176.029 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.474 ' HD3' ' HB2' ' A' ' 48' ' ' ASP . 61.4 mttm -87.14 100.93 13.02 Favored 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 176.229 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -57.83 -30.34 65.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.967 -0.56 . . . . 0.0 112.214 -174.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.432 ' C ' ' H ' ' A' ' 48' ' ' ASP . 0.2 OUTLIER -106.3 18.89 21.34 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.188 0.518 . . . . 0.0 109.999 -179.72 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.509 ' O ' ' HB2' ' A' ' 48' ' ' ASP . . . 79.13 -36.56 1.95 Allowed Glycine 0 C--O 1.227 -0.282 0 N-CA-C 111.682 -0.567 . . . . 0.0 111.682 -174.632 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.509 ' HB2' ' O ' ' A' ' 47' ' ' GLY . 27.8 t70 157.67 116.86 0.0 OUTLIER 'General case' 0 CA--C 1.513 -0.464 0 C-N-CA 125.65 1.58 . . . . 0.0 107.69 170.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.633 HG22 ' O ' ' A' ' 2' ' ' ALA . 18.8 m -73.76 91.82 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.901 0 CA-C-O 121.881 0.848 . . . . 0.0 111.284 -175.556 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -119.4 95.98 5.02 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 177.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.53 ' HB ' ' O ' ' A' ' 4' ' ' HIS . 37.2 t -112.64 121.52 65.11 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.154 0 CA-C-N 115.195 -0.911 . . . . 0.0 111.599 -167.693 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.579 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 24.4 mt -97.1 118.97 34.71 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 175.624 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.574 HG23 ' CD1' ' A' ' 5' ' ' TYR . 9.4 t -134.21 -176.83 4.33 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.105 -171.791 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.482 HD12 HH21 ' A' ' 8' ' ' ARG . 20.6 mt -107.22 123.16 62.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.832 -179.192 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 13.8 p -76.19 164.16 26.36 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 176.306 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 46.3 tt0 -49.11 -47.95 44.87 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 123.381 0.426 . . . . 0.0 111.153 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -60.79 -41.73 96.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.694 -0.685 . . . . 0.0 112.025 -176.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.46 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 97.9 m -72.87 -46.25 53.87 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.918 179.199 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.58 -36.45 45.45 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 121.067 0.46 . . . . 0.0 110.632 174.334 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -72.33 -44.43 62.67 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.942 -178.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.97 -33.97 76.93 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-O 122.245 1.021 . . . . 0.0 108.611 177.195 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.46 ' HB2' ' O ' ' A' ' 58' ' ' CYS . 0.5 OUTLIER -63.66 -61.78 2.09 Favored 'General case' 0 N--CA 1.435 -1.184 0 CA-C-N 113.334 -1.757 . . . . 0.0 111.532 177.289 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -57.04 -33.54 67.31 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.503 -179.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.412 ' HD3' ' O ' ' A' ' 64' ' ' ARG . 3.4 tmt_? -70.34 -44.7 67.64 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.631 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.525 ' HB2' ' CE2' ' A' ' 68' ' ' TYR . 23.7 m-80 -117.23 111.38 40.36 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-O 120.65 0.262 . . . . 0.0 111.118 -174.195 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.423 ' HA ' ' O ' ' A' ' 69' ' ' HIS . 60.1 Cg_endo -72.73 41.79 0.56 Allowed 'Trans proline' 0 CA--C 1.532 0.409 0 C-N-CA 123.363 2.708 . . . . 0.0 113.223 -177.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 23.1 m-70 -111.72 -41.44 4.05 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 175.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.525 ' CE2' ' HB2' ' A' ' 65' ' ' ASN . 0.0 OUTLIER -93.1 -10.08 37.27 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 173.769 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.423 ' O ' ' HA ' ' A' ' 66' ' ' PRO . 26.1 t-80 -133.78 87.16 2.35 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.221 -0.899 . . . . 0.0 110.62 -177.812 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -146.32 169.06 19.59 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.526 175.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 25.5 p90 -133.12 136.78 46.02 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.082 177.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 40.7 t-80 62.66 71.99 0.51 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.997 -176.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.7 m . . . . . 0 C--O 1.251 1.149 0 CA-C-O 118.537 -0.744 . . . . 0.0 110.699 179.922 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.824 HD22 HG11 ' A' ' 49' ' ' VAL . 23.7 mt . . . . . 0 CA--C 1.512 -0.502 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 25.4 m170 -88.59 120.14 29.7 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 107.467 -1.309 . . . . 0.0 107.467 174.739 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.53 ' HB2' ' N ' ' A' ' 15' ' ' GLY . 7.0 m-30 -100.47 118.26 36.32 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.765 -172.781 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.728 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 96.5 m-85 -126.27 130.14 50.3 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 173.731 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.426 ' HB2' HG13 ' A' ' 12' ' ' VAL . 16.3 t -76.45 143.8 40.31 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 122.04 0.924 . . . . 0.0 113.232 -166.538 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.545 HH21 HD11 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -67.73 119.31 12.25 Favored 'General case' 0 N--CA 1.439 -0.996 0 CA-C-N 113.457 -1.701 . . . . 0.0 109.966 172.524 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 28.9 t60 88.05 -47.22 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 114.447 -1.252 . . . . 0.0 112.849 167.486 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.842 ' SG ' HG12 ' A' ' 12' ' ' VAL . 1.7 p -92.17 -12.78 31.9 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 119.476 -0.89 . . . . 0.0 110.853 -173.726 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.44 32.41 79.12 Favored Glycine 0 C--N 1.332 0.344 0 CA-C-N 115.449 -0.796 . . . . 0.0 114.284 172.606 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.842 HG12 ' SG ' ' A' ' 10' ' ' CYS . 3.9 p -91.95 143.7 10.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 117.57 0.685 . . . . 0.0 110.976 175.53 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 34.3 mtmm -84.38 97.3 9.41 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.382 -0.827 . . . . 0.0 109.838 178.479 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.41 HG23 ' HB3' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -80.92 -16.65 12.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -175.206 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.53 ' N ' ' HB2' ' A' ' 5' ' ' TYR . . . . . . . . 0 N--CA 1.452 -0.266 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.257 -179.158 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.573 ' O ' ' HG3' ' A' ' 37' ' ' ARG . 44.3 p . . . . . 0 C--O 1.233 0.236 0 CA-C-O 120.234 0.064 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -64.93 -27.19 68.68 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 175.274 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -65.53 -47.25 76.55 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.733 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -65.01 -34.62 78.87 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.943 177.171 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.573 ' HG3' ' O ' ' A' ' 33' ' ' THR . 90.1 mtt180 -61.8 -33.13 73.57 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.047 176.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -73.69 -40.1 63.89 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.993 0.425 . . . . 0.0 110.912 -178.683 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -78.92 -10.28 59.76 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.788 179.165 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.426 ' HG2' ' O ' ' A' ' 40' ' ' MET . 45.8 ttm . . . . . 0 N--CA 1.47 0.568 0 C-N-CA 122.914 0.485 . . . . 0.0 111.731 -175.441 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.824 HG11 HD22 ' A' ' 3' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.446 -0.628 0 CA-C-O 121.086 0.47 . . . . 0.0 111.04 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -123.9 91.46 3.47 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 179.484 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.8 m -106.56 139.04 29.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.505 -173.711 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.728 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 10.5 mp -99.96 115.09 28.87 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.62 176.832 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 13.6 t -132.11 -179.64 5.54 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.519 -172.144 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.545 HD11 HH21 ' A' ' 8' ' ' ARG . 31.5 mt -94.77 125.49 47.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.832 -179.635 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.592 ' SG ' ' HB3' ' A' ' 57' ' ' ASP . 17.3 p -82.3 175.21 10.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.294 175.61 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -56.17 -45.52 79.67 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.045 0.45 . . . . 0.0 109.997 178.038 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.592 ' HB3' ' SG ' ' A' ' 55' ' ' CYS . 4.4 t70 -57.54 -49.37 76.55 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.219 -0.9 . . . . 0.0 112.061 179.75 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 92.2 m -73.34 -35.14 65.98 Favored 'General case' 0 C--O 1.218 -0.587 0 C-N-CA 120.368 -0.533 . . . . 0.0 111.067 -176.129 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.79 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 0.2 OUTLIER -55.72 -38.31 69.57 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-O 121.178 0.513 . . . . 0.0 109.884 170.746 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -76.97 -33.24 57.65 Favored 'General case' 0 N--CA 1.428 -1.549 0 O-C-N 121.022 -1.049 . . . . 0.0 111.394 178.087 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.23 -30.3 62.18 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 122.081 0.943 . . . . 0.0 108.616 167.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.79 ' HB2' ' O ' ' A' ' 59' ' ' GLN . 0.1 OUTLIER -77.06 -59.18 2.89 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 113.737 -1.574 . . . . 0.0 111.469 -178.765 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.9 t70 . . . . . 0 C--N 1.32 -0.707 0 CA-C-N 115.142 -0.935 . . . . 0.0 112.316 -173.525 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.471 ' HA ' ' HB ' ' A' ' 49' ' ' VAL . 7.7 mp . . . . . 0 N--CA 1.451 -0.382 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.608 ' HB2' ' O ' ' A' ' 49' ' ' VAL . 67.3 m170 -95.17 121.99 37.39 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 178.526 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.544 ' CD2' HG21 ' A' ' 53' ' ' THR . 4.2 m-30 -95.55 123.88 39.31 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 115.219 -0.901 . . . . 0.0 110.518 -176.46 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.546 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 70.9 m-85 -128.34 134.43 48.87 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 174.24 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.637 ' HB3' ' HB2' ' A' ' 10' ' ' CYS . 11.8 t -80.19 135.98 36.39 Favored 'General case' 0 CA--C 1.506 -0.724 0 CA-C-O 121.57 0.7 . . . . 0.0 112.684 -172.012 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.2 ppt_? -67.7 123.05 19.42 Favored 'General case' 0 N--CA 1.436 -1.14 0 CA-C-N 114.692 -1.14 . . . . 0.0 108.884 171.345 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 20.3 t-80 85.49 -7.65 0.84 Allowed 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.585 -1.188 . . . . 0.0 111.292 172.78 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.637 ' HB2' ' HB3' ' A' ' 7' ' ' CYS . 62.6 m -116.13 -41.86 3.12 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.152 0.501 . . . . 0.0 110.619 175.603 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 84.88 -4.83 84.45 Favored Glycine 0 N--CA 1.444 -0.803 0 C-N-CA 120.714 -0.755 . . . . 0.0 111.825 -174.772 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.608 HG12 ' HB2' ' A' ' 10' ' ' CYS . 2.1 p -63.19 131.9 28.85 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.504 0 CA-C-O 121.462 0.649 . . . . 0.0 111.962 -177.544 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.536 ' H ' ' HD2' ' A' ' 13' ' ' LYS . 2.1 mptp? -76.41 95.71 3.88 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 114.336 -1.302 . . . . 0.0 108.82 179.267 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -73.92 -37.4 47.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.593 -0.731 . . . . 0.0 111.034 -171.403 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.529 ' N ' ' HB2' ' A' ' 5' ' ' TYR . . . . . . . . 0 N--CA 1.452 -0.245 0 C-N-CA 120.444 -0.884 . . . . 0.0 112.754 -175.167 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.515 HG23 ' HG2' ' A' ' 35' ' ' GLU . 7.3 t . . . . . 0 N--CA 1.451 -0.384 0 CA-C-O 120.969 0.414 . . . . 0.0 111.513 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 24.4 p-10 -55.5 -52.49 63.5 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.827 -175.5 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.515 ' HG2' HG23 ' A' ' 33' ' ' THR . 13.1 pt-20 -64.31 -24.88 67.81 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.693 0.283 . . . . 0.0 111.145 -178.166 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.475 ' HG2' HG22 ' A' ' 33' ' ' THR . 34.7 mm-40 -76.67 -30.75 56.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.287 0.565 . . . . 0.0 110.319 177.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.493 ' HG3' ' O ' ' A' ' 33' ' ' THR . 88.2 mtt180 -84.57 -43.04 14.85 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.045 -178.836 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 52.4 m-80 -76.67 -33.6 58.27 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -174.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -75.91 -45.66 34.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.016 0.436 . . . . 0.0 110.467 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 C--N 1.325 -0.491 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.859 179.095 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.608 ' O ' ' HB2' ' A' ' 4' ' ' HIS . 10.5 m . . . . . 0 N--CA 1.441 -0.888 0 CA-C-O 121.72 0.771 . . . . 0.0 110.845 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -124.06 91.41 3.45 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.096 -177.094 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.8 m -112.1 126.85 69.54 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.802 -177.366 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.546 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 3.2 mm? -92.55 114.85 27.51 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.348 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.544 HG21 ' CD2' ' A' ' 5' ' ' TYR . 13.7 t -133.02 -171.04 2.58 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.568 -173.613 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.418 HD13 HD22 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -103.61 127.03 58.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.236 0.541 . . . . 0.0 111.059 -178.528 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 22.3 p -76.11 169.3 18.45 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.953 -179.017 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 -53.82 -42.13 68.09 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.953 0.406 . . . . 0.0 110.253 178.591 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -61.42 -48.38 81.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.029 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.445 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 30.5 m -61.91 -52.85 62.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.761 176.769 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -54.68 -34.21 61.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.642 -179.7 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -68.44 -46.17 70.56 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 111.79 0.293 . . . . 0.0 111.79 -179.086 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.41 -33.4 75.62 Favored 'General case' 0 CA--C 1.512 -0.511 0 CA-C-O 122.194 0.997 . . . . 0.0 108.531 178.645 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.445 ' HB2' ' O ' ' A' ' 58' ' ' CYS . 0.4 OUTLIER -65.08 -57.95 7.31 Favored 'General case' 0 N--CA 1.437 -1.076 0 CA-C-N 113.119 -1.855 . . . . 0.0 111.941 178.857 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.8 t70 . . . . . 0 C--N 1.32 -0.69 0 CA-C-N 114.579 -1.191 . . . . 0.0 111.268 -179.382 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.496 ' HA ' ' CG2' ' A' ' 49' ' ' VAL . 6.1 mp . . . . . 0 CA--C 1.514 -0.407 0 CA-C-O 121.034 0.445 . . . . 0.0 110.933 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 -95.39 122.52 38.19 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.514 177.799 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.62 ' HB2' ' N ' ' A' ' 15' ' ' GLY . 5.7 m-30 -95.46 128.13 42.07 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.443 -179.199 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.437 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 83.6 m-85 -130.65 135.79 48.2 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 173.63 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.624 ' HB3' ' HB2' ' A' ' 10' ' ' CYS . 35.0 t -79.81 138.33 37.2 Favored 'General case' 0 CA--C 1.511 -0.528 0 CA-C-O 121.894 0.854 . . . . 0.0 113.254 -170.448 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.51 ' O ' ' HB3' ' A' ' 9' ' ' HIS . 40.3 ttp85 -55.31 116.37 2.79 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 113.578 -1.646 . . . . 0.0 109.567 166.501 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.51 ' HB3' ' O ' ' A' ' 8' ' ' ARG . 14.1 t-160 85.26 -49.24 0.08 Allowed 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.822 0.849 . . . . 0.0 111.315 173.827 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.624 ' HB2' ' HB3' ' A' ' 7' ' ' CYS . 62.5 m -70.51 -40.17 73.68 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.23 0.538 . . . . 0.0 110.839 179.087 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 78.74 4.83 88.32 Favored Glycine 0 N--CA 1.447 -0.57 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.654 -174.637 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.605 HG12 ' HB2' ' A' ' 10' ' ' CYS . 2.6 p -71.43 135.55 27.72 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.619 0 CA-C-O 121.317 0.58 . . . . 0.0 112.127 -176.461 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.611 ' H ' ' HD3' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -72.99 94.12 1.83 Allowed 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 114.889 -1.051 . . . . 0.0 109.381 179.072 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -73.33 -21.9 19.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.139 0.495 . . . . 0.0 110.028 -176.779 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.62 ' N ' ' HB2' ' A' ' 5' ' ' TYR . . . . . . . . 0 N--CA 1.447 -0.592 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.776 -176.316 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 N--CA 1.446 -0.646 0 N-CA-C 112.651 0.611 . . . . 0.0 112.651 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 25.7 m-80 -59.64 -39.93 86.0 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.67 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -61.29 -25.99 67.48 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.645 -177.025 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -71.32 -45.62 62.57 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 120.901 0.382 . . . . 0.0 110.4 179.295 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -76.29 -26.43 55.88 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-O 120.89 0.376 . . . . 0.0 111.092 -178.39 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -72.36 -39.13 68.31 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 175.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -78.25 -58.12 3.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.756 0.312 . . . . 0.0 111.715 -179.432 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 43.5 ttp . . . . . 0 C--N 1.324 -0.517 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.92 -173.965 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.496 ' CG2' ' HA ' ' A' ' 3' ' ' LEU . 1.5 m . . . . . 0 N--CA 1.446 -0.638 0 CA-C-O 121.609 0.718 . . . . 0.0 111.287 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -119.69 103.33 9.29 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.437 -177.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.6 m -119.22 142.33 34.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.126 0.489 . . . . 0.0 111.515 -177.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.437 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 84.8 mt -103.24 133.48 48.26 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.668 177.775 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.534 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 14.6 t -152.51 179.65 8.39 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.155 -177.278 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -91.56 128.91 42.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.186 179.077 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 20.6 p -73.04 162.97 28.84 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.907 178.332 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -53.77 -39.82 65.73 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.968 0.413 . . . . 0.0 110.35 -178.413 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -63.44 -46.7 85.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.206 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.639 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 11.0 m -57.69 -50.39 73.36 Favored 'General case' 0 C--O 1.223 -0.329 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 174.442 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 35.4 tp60 -51.78 -43.86 63.18 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.242 176.203 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -67.81 -46.42 71.94 Favored 'General case' 0 N--CA 1.436 -1.16 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.864 -177.421 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.57 -32.62 73.5 Favored 'General case' 0 CA--C 1.504 -0.813 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 -178.511 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.639 ' HB2' ' O ' ' A' ' 58' ' ' CYS . 0.6 OUTLIER -60.69 -56.61 19.2 Favored 'General case' 0 N--CA 1.431 -1.379 0 CA-C-N 113.838 -1.528 . . . . 0.0 111.675 179.035 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 30.1 t70 . . . . . 0 C--N 1.322 -0.628 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.008 -179.545 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.418 ' HA ' ' CG2' ' A' ' 49' ' ' VAL . 6.5 mp . . . . . 0 CA--C 1.511 -0.528 0 N-CA-C 108.717 -0.845 . . . . 0.0 108.717 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 50.1 m80 -88.31 121.41 30.68 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-O 121.359 0.6 . . . . 0.0 109.426 178.556 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.546 ' CD1' HG21 ' A' ' 53' ' ' THR . 2.8 m-30 -93.42 117.62 30.3 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-N 114.917 -1.038 . . . . 0.0 109.972 -178.678 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -121.44 143.94 48.96 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-O 121.441 0.639 . . . . 0.0 109.955 174.298 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.655 ' HB3' ' O ' ' A' ' 12' ' ' VAL . 0.0 OUTLIER -81.58 121.56 26.47 Favored 'General case' 0 N--CA 1.434 -1.228 0 CA-C-N 114.988 -1.006 . . . . 0.0 111.988 -172.555 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.513 ' HG2' ' O ' ' A' ' 53' ' ' THR . 5.6 ptm180 -61.3 125.14 22.68 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 114.331 -1.304 . . . . 0.0 109.975 166.833 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 21.0 t60 86.57 -59.62 0.05 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.122 -0.945 . . . . 0.0 113.12 168.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -81.32 -22.16 38.7 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 119.658 -0.817 . . . . 0.0 110.714 -172.235 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.435 ' N ' ' SG ' ' A' ' 7' ' ' CYS . . . 84.14 22.39 54.86 Favored Glycine 0 C--N 1.332 0.332 0 C-N-CA 121.229 -0.51 . . . . 0.0 114.315 172.293 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.655 ' O ' ' HB3' ' A' ' 7' ' ' CYS . 2.0 p -94.25 137.35 23.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 117.83 0.815 . . . . 0.0 112.22 179.466 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.541 ' H ' ' HD2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -79.75 107.32 12.43 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.628 -178.83 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -93.6 -5.09 10.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.647 -175.63 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.443 ' HA3' ' H ' ' A' ' 5' ' ' TYR . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.457 -0.878 . . . . 0.0 112.683 -177.186 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.534 ' O ' ' HB3' ' A' ' 36' ' ' GLU . 51.5 m . . . . . 0 CA--C 1.533 0.307 0 CA-C-O 120.68 0.276 . . . . 0.0 111.038 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -81.48 -24.24 36.87 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 173.679 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -67.5 -42.44 82.85 Favored 'General case' 0 C--O 1.215 -0.74 0 CA-C-N 114.087 -1.415 . . . . 0.0 108.561 173.353 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.534 ' HB3' ' O ' ' A' ' 33' ' ' THR . 5.9 tp10 -48.63 -43.34 36.36 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.031 -1.44 . . . . 0.0 110.488 175.614 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -66.68 -43.5 84.27 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.354 -179.652 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -78.34 -42.69 29.85 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -176.225 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -70.12 -27.95 64.99 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.819 -175.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 31.4 tpp . . . . . 0 C--N 1.324 -0.541 0 CA-C-O 121.489 0.661 . . . . 0.0 110.596 -179.95 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.418 ' CG2' ' HA ' ' A' ' 3' ' ' LEU . 2.7 m . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 121.195 0.522 . . . . 0.0 110.989 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -125.2 106.6 10.01 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.493 -176.74 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 10.1 m -120.04 137.5 53.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.124 0.488 . . . . 0.0 111.583 -177.781 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -93.98 114.46 26.65 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.366 176.349 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.546 HG21 ' CD1' ' A' ' 5' ' ' TYR . 14.8 t -125.64 172.93 9.35 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 120.955 0.407 . . . . 0.0 110.666 -175.84 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.477 HG13 ' HD3' ' A' ' 8' ' ' ARG . 6.7 mt -85.43 112.78 22.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.024 178.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.457 ' HB3' ' HB2' ' A' ' 7' ' ' CYS . 7.4 p -77.8 177.67 7.99 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 174.056 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -66.1 -31.38 72.21 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 118.639 0.654 . . . . 0.0 110.769 179.483 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -70.75 -36.38 73.11 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 176.063 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.412 ' SG ' ' O ' ' A' ' 8' ' ' ARG . 54.0 m -60.69 -51.22 70.28 Favored 'General case' 0 C--O 1.226 -0.147 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 172.061 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 22.6 tp60 -50.86 -35.3 31.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.367 -1.288 . . . . 0.0 111.422 176.312 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -76.45 -41.03 48.85 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.28 -179.037 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.6 -31.08 70.26 Favored 'General case' 0 CA--C 1.508 -0.653 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 175.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.2 mp -69.99 -60.02 2.56 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 113.58 -1.646 . . . . 0.0 111.26 177.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.0 t70 . . . . . 0 C--N 1.314 -0.972 0 CA-C-N 113.97 -1.468 . . . . 0.0 112.199 -178.397 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.494 HD12 ' N ' ' A' ' 3' ' ' LEU . 1.1 mp . . . . . 0 CA--C 1.513 -0.452 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.519 ' O ' ' HB ' ' A' ' 51' ' ' VAL . 83.2 m-70 -111.74 130.84 55.66 Favored 'General case' 0 C--N 1.309 -1.178 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.111 -173.809 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.59 ' CD2' HG21 ' A' ' 53' ' ' THR . 3.8 m-85 -101.56 106.21 17.26 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.28 -172.848 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -116.19 137.29 52.26 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 115.1 -0.954 . . . . 0.0 108.931 172.039 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.483 ' HA ' ' O ' ' A' ' 53' ' ' THR . 1.4 t -73.44 128.42 35.45 Favored 'General case' 0 C--N 1.309 -1.176 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.08 -177.214 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -78.83 120.57 23.64 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.052 164.286 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 47.4 t-80 103.24 -64.13 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 125.25 1.42 . . . . 0.0 112.384 175.219 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -81.2 -18.02 47.6 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 119.915 -0.714 . . . . 0.0 110.463 -174.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 75.81 18.66 79.5 Favored Glycine 0 C--N 1.34 0.783 0 C-N-CA 120.834 -0.698 . . . . 0.0 113.631 172.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.6 p -93.82 142.84 12.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 121.522 0.677 . . . . 0.0 112.047 179.207 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 32.8 mtmm -81.84 112.48 19.01 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.213 179.104 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -89.83 -16.78 8.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -171.36 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.602 0 C-N-CA 120.086 -1.054 . . . . 0.0 111.945 -177.121 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 N--CA 1.441 -0.895 0 N-CA-C 106.52 -1.659 . . . . 0.0 106.52 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -50.51 -47.2 57.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 118.446 0.566 . . . . 0.0 111.604 -178.089 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -70.7 -39.61 73.34 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.933 -176.616 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -75.75 -28.99 58.7 Favored 'General case' 0 C--O 1.223 -0.338 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 -176.542 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 53.8 ttp180 -56.54 -45.62 81.08 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.886 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -79.24 -38.31 35.91 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.394 179.508 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -76.61 -40.84 48.12 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.087 0.402 . . . . 0.0 112.087 -173.648 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 87.7 mmm . . . . . 0 C--N 1.322 -0.596 0 N-CA-C 111.851 0.315 . . . . 0.0 111.851 -175.734 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.482 ' CG2' ' HG ' ' A' ' 3' ' ' LEU . 4.0 t . . . . . 0 C--O 1.223 -0.335 0 CA-C-O 120.38 0.134 . . . . 0.0 111.17 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 12.9 t60 -73.74 114.75 12.37 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 177.655 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.519 ' HB ' ' O ' ' A' ' 4' ' ' HIS . 14.5 t -127.91 126.2 66.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.791 -168.261 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.1 mt -95.42 109.3 21.5 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 173.395 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.59 HG21 ' CD2' ' A' ' 5' ' ' TYR . 8.2 t -123.22 160.21 27.06 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.157 -174.342 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.45 HD13 HD11 ' A' ' 62' ' ' LEU . 1.5 mt -86.62 113.89 25.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-O 121.593 0.711 . . . . 0.0 109.875 179.04 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 5.3 p -78.84 164.09 24.77 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 114.896 -1.047 . . . . 0.0 108.783 177.209 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.45 ' HA ' ' HB3' ' A' ' 59' ' ' GLN . 31.7 tt0 -50.2 -37.05 33.3 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -173.579 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -58.95 -49.45 77.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.522 0.201 . . . . 0.0 111.526 -178.454 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -74.52 -34.09 62.93 Favored 'General case' 0 C--O 1.218 -0.598 0 C-N-CA 120.435 -0.506 . . . . 0.0 109.723 178.57 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.755 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 24.2 tp60 -56.25 -35.54 67.51 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 122.982 0.513 . . . . 0.0 112.299 173.062 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -78.2 -39.9 39.2 Favored 'General case' 0 C--N 1.315 -0.901 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.756 176.516 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -52.93 -31.36 39.72 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 122.308 1.051 . . . . 0.0 109.082 168.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.755 ' HB2' ' O ' ' A' ' 59' ' ' GLN . 0.2 OUTLIER -71.19 -60.82 2.02 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 113.424 -1.716 . . . . 0.0 111.36 -179.759 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.3 t70 . . . . . 0 C--N 1.322 -0.588 0 CA-C-N 114.62 -1.173 . . . . 0.0 111.59 -173.089 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.481 ' HA ' ' HB ' ' A' ' 49' ' ' VAL . 5.7 mp . . . . . 0 CA--C 1.516 -0.346 0 N-CA-C 109.19 -0.671 . . . . 0.0 109.19 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.469 ' HB2' ' O ' ' A' ' 49' ' ' VAL . 27.2 m170 -111.41 121.63 45.72 Favored 'General case' 0 CA--C 1.5 -0.966 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 -173.785 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.714 ' HB2' ' N ' ' A' ' 15' ' ' GLY . 3.0 m-30 -99.53 128.73 45.65 Favored 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.124 -177.196 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.488 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 78.6 m-85 -130.29 124.28 32.0 Favored 'General case' 0 C--N 1.313 -0.99 0 N-CA-C 107.518 -1.29 . . . . 0.0 107.518 174.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.644 ' HB3' ' HB2' ' A' ' 10' ' ' CYS . 42.4 t -73.28 142.94 47.18 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 113.653 0.983 . . . . 0.0 113.653 -164.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.477 ' O ' ' HB3' ' A' ' 9' ' ' HIS . 16.9 ttp85 -58.18 114.86 2.58 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 113.654 -1.612 . . . . 0.0 109.627 167.64 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.477 ' HB3' ' O ' ' A' ' 8' ' ' ARG . 16.2 t-80 84.0 -27.43 0.1 Allowed 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.789 0.835 . . . . 0.0 112.283 172.49 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.659 ' HB2' HG12 ' A' ' 12' ' ' VAL . 60.7 m -94.44 -32.91 13.33 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.254 0.55 . . . . 0.0 110.901 178.198 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 73.07 0.73 53.79 Favored Glycine 0 N--CA 1.446 -0.688 0 CA-C-N 115.498 -0.774 . . . . 0.0 112.053 -173.492 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.659 HG12 ' HB2' ' A' ' 10' ' ' CYS . 3.2 p -69.2 136.69 25.78 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 CA-C-O 121.456 0.646 . . . . 0.0 112.091 -174.812 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.525 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 50.9 mttm -75.79 95.12 3.4 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.682 -1.145 . . . . 0.0 110.035 -177.277 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -81.46 -12.91 12.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.522 -177.684 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.714 ' N ' ' HB2' ' A' ' 5' ' ' TYR . . . . . . . . 0 N--CA 1.449 -0.453 0 C-N-CA 120.932 -0.651 . . . . 0.0 111.73 -176.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 41.4 p . . . . . 0 N--CA 1.446 -0.667 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 10.4 p30 -58.63 -26.73 64.02 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.214 0.531 . . . . 0.0 109.866 173.748 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -76.34 -54.67 6.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.436 -178.495 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -65.7 -32.21 73.64 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.153 -0.93 . . . . 0.0 111.589 -172.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -73.16 -24.5 60.58 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-O 121.08 0.467 . . . . 0.0 110.665 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -74.22 -52.2 13.1 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.428 -178.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -78.54 -30.36 46.91 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.041 -175.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 24.6 mmt . . . . . 0 C--N 1.322 -0.591 0 C-N-CA 121.22 -0.192 . . . . 0.0 111.374 -179.371 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.481 ' HB ' ' HA ' ' A' ' 3' ' ' LEU . 2.1 m . . . . . 0 N--CA 1.44 -0.938 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -110.83 97.68 7.02 Favored 'General case' 0 C--N 1.319 -0.717 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.453 ' HB ' ' O ' ' A' ' 4' ' ' HIS . 71.8 t -113.86 120.49 63.83 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.262 0 CA-C-N 114.856 -1.065 . . . . 0.0 111.257 -167.289 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.488 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 57.7 mt -95.96 130.87 42.82 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 176.447 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.507 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 13.8 t -155.29 -176.23 5.84 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 -177.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.403 HG23 ' HB2' ' A' ' 58' ' ' CYS . 0.6 OUTLIER -95.01 127.76 46.72 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-O 121.106 0.479 . . . . 0.0 111.073 -178.342 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.685 ' SG ' ' HB3' ' A' ' 57' ' ' ASP . 18.8 p -74.19 164.5 26.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.904 176.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.424 ' HA ' ' HB3' ' A' ' 59' ' ' GLN . 35.3 tt0 -54.94 -38.78 68.13 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.794 0.33 . . . . 0.0 110.389 178.738 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.685 ' HB3' ' SG ' ' A' ' 55' ' ' CYS . 14.5 t70 -55.89 -49.8 72.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 176.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.403 ' HB2' HG23 ' A' ' 54' ' ' ILE . 57.7 m -66.25 -43.96 85.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.12 0.486 . . . . 0.0 110.626 176.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.424 ' HB3' ' HA ' ' A' ' 56' ' ' GLU . 50.7 tp60 -50.98 -35.71 35.25 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.033 -0.985 . . . . 0.0 111.37 175.637 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -73.94 -39.84 63.49 Favored 'General case' 0 N--CA 1.438 -1.066 0 CA-C-N 116.051 -0.522 . . . . 0.0 112.015 -179.275 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.06 -32.86 74.79 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 122.147 0.975 . . . . 0.0 108.454 176.067 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.3 mp -62.39 -59.7 4.61 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-N 113.444 -1.707 . . . . 0.0 111.691 178.383 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.8 t70 . . . . . 0 C--N 1.313 -1.017 0 CA-C-N 114.382 -1.281 . . . . 0.0 111.294 179.355 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.423 ' HA ' ' CB ' ' A' ' 49' ' ' VAL . 6.5 mp . . . . . 0 CA--C 1.52 -0.193 0 CA-C-O 120.912 0.387 . . . . 0.0 110.453 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.61 ' HB2' ' O ' ' A' ' 49' ' ' VAL . 42.1 m170 -101.52 125.75 48.22 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.039 178.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.706 ' HB2' ' N ' ' A' ' 15' ' ' GLY . 10.0 m-30 -91.9 133.63 35.5 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.178 -177.245 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.586 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 89.2 m-85 -133.38 126.2 30.79 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 173.296 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.678 ' HB3' ' HB2' ' A' ' 10' ' ' CYS . 9.9 t -75.11 139.81 43.0 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 114.063 1.134 . . . . 0.0 114.063 -166.228 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.53 117.97 8.14 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 113.116 -1.856 . . . . 0.0 109.634 169.171 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 24.4 t-80 80.59 6.16 1.54 Allowed 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 115.327 -0.852 . . . . 0.0 111.19 171.762 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.678 ' HB2' ' HB3' ' A' ' 7' ' ' CYS . 61.0 m -129.08 -38.56 1.61 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.944 0.402 . . . . 0.0 111.378 177.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 80.66 -1.67 82.02 Favored Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.787 -0.72 . . . . 0.0 111.999 -175.71 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.59 HG12 ' CB ' ' A' ' 10' ' ' CYS . 1.6 p -71.85 131.37 34.72 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.447 0 CA-C-O 121.392 0.615 . . . . 0.0 112.113 -177.567 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.0 mtpm? -72.36 95.37 1.73 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.703 -1.135 . . . . 0.0 109.437 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -80.06 -12.86 13.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 121.132 0.491 . . . . 0.0 110.46 -176.81 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.706 ' N ' ' HB2' ' A' ' 5' ' ' TYR . . . . . . . . 0 N--CA 1.442 -0.952 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.375 -179.106 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.7 t . . . . . 0 N--CA 1.473 0.722 0 N-CA-C 114.37 1.248 . . . . 0.0 114.37 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -54.32 -32.58 56.94 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 118.809 0.732 . . . . 0.0 111.682 -178.363 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -77.01 -51.47 11.04 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.035 176.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -50.78 -52.64 38.92 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.109 -0.95 . . . . 0.0 111.871 177.24 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -57.72 -42.08 83.1 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.058 -0.973 . . . . 0.0 111.441 -174.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -78.25 -43.54 27.97 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.232 -177.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -78.69 -61.41 2.02 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -169.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 26.2 ttt . . . . . 0 C--N 1.328 -0.332 0 N-CA-C 113.922 1.082 . . . . 0.0 113.922 -170.85 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.61 ' O ' ' HB2' ' A' ' 4' ' ' HIS . 5.1 m . . . . . 0 N--CA 1.44 -0.963 0 CA-C-O 121.587 0.708 . . . . 0.0 110.839 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -126.32 93.28 3.76 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.36 -178.481 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 12.5 m -110.87 134.52 52.89 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.251 -177.667 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.586 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 85.7 mt -85.57 121.63 28.54 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 175.528 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.505 HG21 ' CD2' ' A' ' 5' ' ' TYR . 14.7 t -142.62 -172.29 3.6 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.455 -175.63 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.536 HD13 HD11 ' A' ' 62' ' ' LEU . 1.1 mp -101.99 127.4 55.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 120.952 0.405 . . . . 0.0 111.751 -175.007 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.517 ' SG ' ' HB3' ' A' ' 57' ' ' ASP . 20.6 p -82.81 176.54 9.23 Favored 'General case' 0 N--CA 1.46 0.048 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.341 176.315 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -59.03 -41.85 88.78 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.111 0.481 . . . . 0.0 110.534 178.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.517 ' HB3' ' SG ' ' A' ' 55' ' ' CYS . 17.4 t70 -59.28 -42.23 90.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.882 178.013 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.506 ' HB2' HG23 ' A' ' 54' ' ' ILE . 64.4 m -74.54 -37.1 63.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.029 179.16 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.76 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 25.3 tm0? -54.83 -30.29 57.02 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.945 177.281 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -70.38 -48.73 54.88 Favored 'General case' 0 N--CA 1.433 -1.316 0 O-C-N 121.897 -0.502 . . . . 0.0 111.916 177.101 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.81 -33.49 61.63 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 122.356 1.074 . . . . 0.0 108.828 172.388 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.76 ' HB2' ' O ' ' A' ' 59' ' ' GLN . 0.2 OUTLIER -63.52 -61.83 2.07 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 113.338 -1.755 . . . . 0.0 112.367 178.02 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.8 t70 . . . . . 0 C--N 1.322 -0.624 0 CA-C-N 115.061 -0.972 . . . . 0.0 112.562 -173.019 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.51 ' HA ' ' HB ' ' A' ' 49' ' ' VAL . 3.9 mp . . . . . 0 CA--C 1.514 -0.419 0 CA-C-O 121.158 0.504 . . . . 0.0 110.091 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -93.21 126.66 38.44 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.202 178.18 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.686 ' HB2' ' N ' ' A' ' 15' ' ' GLY . 9.3 m-30 -96.42 131.01 43.43 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-N 114.988 -1.006 . . . . 0.0 109.766 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.682 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 96.7 m-85 -129.14 132.23 47.32 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 171.845 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.474 ' HA ' ' O ' ' A' ' 53' ' ' THR . 13.5 t -84.59 145.96 27.76 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 113.808 1.04 . . . . 0.0 113.808 -167.39 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.503 ' O ' ' HG3' ' A' ' 8' ' ' ARG . 17.5 ptt180 -71.27 123.03 21.32 Favored 'General case' 0 N--CA 1.437 -1.112 0 CA-C-N 113.911 -1.495 . . . . 0.0 108.709 169.159 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 17.7 t60 80.6 -45.5 0.25 Allowed 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.514 -0.766 . . . . 0.0 112.152 170.152 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.565 ' HB2' HG12 ' A' ' 12' ' ' VAL . 33.5 m -69.82 -37.77 76.35 Favored 'General case' 0 N--CA 1.462 0.171 0 N-CA-C 109.001 -0.741 . . . . 0.0 109.001 175.709 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 79.46 14.4 81.44 Favored Glycine 0 C--N 1.335 0.481 0 CA-C-N 115.364 -0.835 . . . . 0.0 112.343 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.565 HG12 ' HB2' ' A' ' 10' ' ' CYS . 0.4 OUTLIER -96.64 138.57 21.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.187 0.517 . . . . 0.0 112.322 -175.516 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.544 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -78.76 95.2 5.27 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.818 176.468 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.565 HG11 ' HA ' ' A' ' 55' ' ' CYS . 0.0 OUTLIER -76.22 -12.84 14.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.787 -177.271 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.686 ' N ' ' HB2' ' A' ' 5' ' ' TYR . . . . . . . . 0 N--CA 1.448 -0.511 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.158 -177.054 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.4 m . . . . . 0 N--CA 1.441 -0.889 0 N-CA-C 106.945 -1.502 . . . . 0.0 106.945 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 12.5 p30 -43.55 -38.12 2.8 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 118.433 0.56 . . . . 0.0 112.309 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -67.13 -32.85 74.25 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 -178.209 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -65.71 -34.55 78.45 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-N 118.205 0.457 . . . . 0.0 110.281 -175.681 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.8 ttt180 -71.82 -38.13 70.23 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-N 115.575 -0.738 . . . . 0.0 111.056 -179.365 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -78.28 -38.07 43.49 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.134 -179.682 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -78.35 -57.84 3.57 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.654 -174.785 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 88.0 mtp . . . . . 0 C--N 1.325 -0.487 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -173.725 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.51 ' HB ' ' HA ' ' A' ' 3' ' ' LEU . 14.6 m . . . . . 0 N--CA 1.438 -1.052 0 CA-C-O 121.876 0.846 . . . . 0.0 111.048 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 10.9 t60 -133.42 102.26 5.46 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.096 -0.956 . . . . 0.0 108.968 -178.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 22.3 m -119.91 142.15 36.81 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.778 -176.333 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.682 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 21.9 mt -101.55 132.27 47.28 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 176.431 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.474 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 15.1 t -152.98 -170.69 3.7 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.427 -174.557 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.454 HG12 ' SG ' ' A' ' 58' ' ' CYS . 0.3 OUTLIER -113.5 138.36 43.41 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 C-N-CA 122.897 0.479 . . . . 0.0 111.022 -174.965 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.565 ' HA ' HG11 ' A' ' 14' ' ' VAL . 3.2 m -72.6 -170.73 0.71 Allowed 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 123.23 0.612 . . . . 0.0 110.724 -178.449 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -78.72 -29.7 45.49 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 171.23 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.91 -50.48 34.42 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 113.831 -1.531 . . . . 0.0 112.072 -175.022 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.551 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 1.8 p -74.83 -34.8 62.4 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 122.278 -0.264 . . . . 0.0 110.61 -178.436 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.05 -34.72 72.27 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 121.211 0.529 . . . . 0.0 110.067 178.028 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -68.75 -49.22 60.51 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.578 -177.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.33 -29.85 71.09 Favored 'General case' 0 CA--C 1.51 -0.573 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 177.433 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.551 ' HB2' ' O ' ' A' ' 58' ' ' CYS . 0.3 OUTLIER -69.0 -59.11 3.27 Favored 'General case' 0 N--CA 1.432 -1.327 0 CA-C-N 113.758 -1.565 . . . . 0.0 111.609 -179.182 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.0 t70 . . . . . 0 C--N 1.318 -0.766 0 CA-C-N 114.995 -1.002 . . . . 0.0 111.353 -176.476 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.538 ' CB ' ' HB ' ' A' ' 49' ' ' VAL . 1.9 mp . . . . . 0 CA--C 1.515 -0.373 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.591 ' HB3' ' CE1' ' A' ' 6' ' ' TYR . 1.5 m80 -123.07 122.0 37.42 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-O 121.583 0.706 . . . . 0.0 110.326 172.826 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.591 ' HB2' ' N ' ' A' ' 15' ' ' GLY . 7.2 m-85 -98.33 119.59 37.27 Favored 'General case' 0 C--N 1.302 -1.479 0 CA-C-N 114.203 -1.362 . . . . 0.0 109.407 179.042 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.591 ' CE1' ' HB3' ' A' ' 4' ' ' HIS . 93.7 m-85 -126.32 141.72 51.8 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 175.278 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.481 ' HB2' HG13 ' A' ' 12' ' ' VAL . 6.6 t -86.76 128.66 35.03 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 119.438 -0.905 . . . . 0.0 112.889 -172.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.464 ' O ' ' HB3' ' A' ' 9' ' ' HIS . 3.9 ptm180 -57.85 118.32 5.21 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 114.37 -1.287 . . . . 0.0 110.539 170.286 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.464 ' HB3' ' O ' ' A' ' 8' ' ' ARG . 38.2 t-80 88.57 -28.53 0.05 OUTLIER 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.737 169.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.665 ' HB2' HG12 ' A' ' 12' ' ' VAL . 11.2 m -95.53 -32.02 13.05 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.207 0.527 . . . . 0.0 110.728 178.115 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 76.39 6.91 84.71 Favored Glycine 0 N--CA 1.451 -0.362 0 CA-C-N 115.659 -0.7 . . . . 0.0 112.611 -179.563 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.665 HG12 ' HB2' ' A' ' 10' ' ' CYS . 2.0 p -76.53 137.86 21.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.999 0.428 . . . . 0.0 111.404 -177.306 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -82.79 97.51 8.64 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.111 -177.752 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -76.05 -27.24 17.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.84 -176.695 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.591 ' N ' ' HB2' ' A' ' 5' ' ' TYR . . . . . . . . 0 N--CA 1.446 -0.692 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.718 -178.052 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.126 0 N-CA-C 111.602 0.223 . . . . 0.0 111.602 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 20.6 p30 -59.7 -26.57 65.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.387 177.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -68.44 -33.76 74.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.812 0.339 . . . . 0.0 110.362 177.488 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 45.6 mm-40 -78.79 -27.34 44.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.023 0.439 . . . . 0.0 110.301 177.239 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -61.92 -39.68 92.86 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.15 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -79.0 -25.78 43.33 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.947 0.403 . . . . 0.0 110.664 176.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -75.47 -57.7 3.73 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.882 -176.524 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 16.2 tpt . . . . . 0 C--N 1.324 -0.513 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.182 -176.297 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.538 ' HB ' ' CB ' ' A' ' 3' ' ' LEU . 25.6 t . . . . . 0 N--CA 1.45 -0.43 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 9.2 t-80 -74.82 91.95 2.47 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.581 -175.379 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.472 HG23 ' HA ' ' A' ' 5' ' ' TYR . 2.9 m -115.34 125.26 72.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.17 178.265 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 41.8 mt -110.99 131.72 54.81 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.733 179.332 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.0 t -141.23 172.21 12.99 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 -176.545 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.568 HG23 ' SG ' ' A' ' 58' ' ' CYS . 0.8 OUTLIER -96.67 124.59 49.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.352 0.596 . . . . 0.0 110.544 178.178 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.467 ' SG ' HG11 ' A' ' 12' ' ' VAL . 18.5 p -87.81 -171.96 3.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.258 -0.883 . . . . 0.0 111.341 -179.409 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -59.03 -53.82 54.08 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.71 -177.652 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -51.78 -49.73 62.09 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.697 -173.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.568 ' SG ' HG23 ' A' ' 54' ' ' ILE . 2.2 p -73.75 -48.11 34.17 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 119.57 -0.252 . . . . 0.0 111.084 -175.212 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.595 ' HA ' ' HB2' ' A' ' 62' ' ' LEU . 18.8 tm0? -48.78 -31.97 7.87 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 123.19 0.596 . . . . 0.0 111.605 176.72 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -70.76 -52.55 20.02 Favored 'General case' 0 N--CA 1.441 -0.899 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.872 -178.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.57 -31.55 66.26 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 122.243 1.021 . . . . 0.0 109.648 172.627 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.595 ' HB2' ' HA ' ' A' ' 59' ' ' GLN . 0.7 OUTLIER -64.07 -60.61 3.02 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 113.051 -1.886 . . . . 0.0 110.663 -179.32 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.8 t70 . . . . . 0 C--N 1.321 -0.649 0 CA-C-N 114.405 -1.27 . . . . 0.0 110.436 176.203 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.452 ' HA ' ' HB ' ' A' ' 49' ' ' VAL . 6.8 mp . . . . . 0 CA--C 1.511 -0.552 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 44.8 m80 -88.72 121.47 31.13 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 178.446 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.498 ' HB2' ' C ' ' A' ' 14' ' ' VAL . 4.1 m-30 -99.04 116.85 32.21 Favored 'General case' 0 C--N 1.309 -1.157 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.932 -177.529 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.503 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 85.2 m-85 -118.11 128.98 55.26 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-O 121.167 0.508 . . . . 0.0 109.961 175.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.639 ' HB3' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -81.5 116.75 21.44 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.457 0.646 . . . . 0.0 112.615 -168.329 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.02 113.03 0.82 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 113.963 -1.471 . . . . 0.0 111.9 -177.817 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 63.14 23.93 14.16 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 122.196 0.998 . . . . 0.0 109.699 171.232 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.639 ' HB3' ' HB3' ' A' ' 7' ' ' CYS . 37.1 t -128.64 -24.38 3.02 Favored 'General case' 0 N--CA 1.438 -1.045 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.372 -169.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 80.1 4.5 89.74 Favored Glycine 0 C--N 1.333 0.38 0 C-N-CA 120.913 -0.661 . . . . 0.0 114.646 168.091 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.552 HG12 ' SG ' ' A' ' 10' ' ' CYS . 2.0 p -107.51 144.96 15.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 117.277 0.538 . . . . 0.0 110.998 179.705 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.2 mtmm -96.19 110.54 22.81 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.943 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.498 ' C ' ' HB2' ' A' ' 5' ' ' TYR . 0.1 OUTLIER -99.47 12.96 5.49 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.392 -177.633 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.474 ' N ' ' HB2' ' A' ' 5' ' ' TYR . . . . . . . . 0 N--CA 1.447 -0.625 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.719 178.617 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.468 ' O ' ' HB3' ' A' ' 36' ' ' GLU . 17.4 m . . . . . 0 CA--C 1.53 0.206 0 CA-C-O 120.635 0.255 . . . . 0.0 111.576 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.424 ' N ' HG22 ' A' ' 33' ' ' THR . 86.9 m-20 -69.0 -28.0 66.2 Favored 'General case' 0 CA--C 1.51 -0.569 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 178.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -72.37 -42.5 65.2 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.086 -1.415 . . . . 0.0 108.744 175.45 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.468 ' HB3' ' O ' ' A' ' 33' ' ' THR . 41.6 tt0 -52.99 -33.05 49.65 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 113.685 -1.598 . . . . 0.0 111.702 -179.345 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.423 ' O ' ' HG2' ' A' ' 40' ' ' MET . 99.1 mtt180 -62.34 -36.85 83.51 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.756 0.312 . . . . 0.0 111.131 -179.35 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -81.36 -44.32 17.76 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.157 0.503 . . . . 0.0 110.887 174.555 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -72.77 -11.59 60.67 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 115.762 -0.654 . . . . 0.0 112.607 -173.803 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.423 ' HG2' ' O ' ' A' ' 37' ' ' ARG . 27.2 ptm . . . . . 0 N--CA 1.466 0.363 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -174.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.452 ' HB ' ' HA ' ' A' ' 3' ' ' LEU . 1.3 m . . . . . 0 N--CA 1.448 -0.545 0 CA-C-O 121.08 0.467 . . . . 0.0 110.853 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 11.6 t60 -120.93 114.55 21.71 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.19 -177.331 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.1 m -132.4 144.2 37.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.974 0.416 . . . . 0.0 111.266 -179.188 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.503 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 85.9 mt -105.05 136.98 43.52 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.43 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 14.8 t -148.41 -171.64 3.89 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.723 -0.217 . . . . 0.0 110.761 -176.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.647 HG23 ' SG ' ' A' ' 58' ' ' CYS . 2.0 mt -132.32 113.69 21.9 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 CA-C-O 121.383 0.611 . . . . 0.0 110.964 -178.711 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 22.8 p -73.52 -176.57 2.35 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.499 175.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -59.69 -46.07 90.19 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.633 -176.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -58.78 -49.79 76.37 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 112.392 0.516 . . . . 0.0 112.392 -174.045 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.647 ' SG ' HG23 ' A' ' 54' ' ' ILE . 6.5 p -74.49 -38.59 62.82 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.007 0.432 . . . . 0.0 110.409 -178.39 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -51.95 -34.34 41.62 Favored 'General case' 0 C--O 1.226 -0.17 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.941 170.806 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -69.84 -44.13 70.52 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 -177.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.36 -31.56 72.41 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-O 122.367 1.079 . . . . 0.0 108.895 177.651 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.23 -58.58 4.2 Favored 'General case' 0 N--CA 1.438 -1.029 0 CA-C-N 113.34 -1.755 . . . . 0.0 111.88 178.719 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.1 t70 . . . . . 0 C--N 1.32 -0.71 0 CA-C-N 114.559 -1.2 . . . . 0.0 111.767 -177.375 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.441 ' HA ' ' HB ' ' A' ' 49' ' ' VAL . 6.4 mp . . . . . 0 CA--C 1.515 -0.388 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 39.1 m80 -88.35 123.05 32.54 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 177.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.715 ' HB2' ' N ' ' A' ' 15' ' ' GLY . 9.5 m-30 -98.42 125.23 43.5 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.281 -178.409 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.609 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 95.1 m-85 -125.44 134.04 52.24 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 108.885 -0.784 . . . . 0.0 108.885 173.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.689 ' HA ' ' O ' ' A' ' 53' ' ' THR . 39.5 t -83.28 144.35 29.78 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 -165.251 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.513 ' CZ ' HD11 ' A' ' 54' ' ' ILE . 32.2 ttp180 -66.45 120.77 13.94 Favored 'General case' 0 N--CA 1.44 -0.959 0 CA-C-N 113.563 -1.653 . . . . 0.0 109.63 171.442 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.484 ' HB3' ' O ' ' A' ' 8' ' ' ARG . 52.2 t60 91.47 -47.78 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 115.245 -0.889 . . . . 0.0 112.196 166.659 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.809 ' SG ' HG12 ' A' ' 12' ' ' VAL . 4.5 p -96.04 -23.06 16.98 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 119.78 -0.768 . . . . 0.0 110.682 -177.256 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 79.0 18.17 75.42 Favored Glycine 0 C--N 1.333 0.371 0 CA-C-N 115.992 -0.549 . . . . 0.0 114.182 173.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.809 HG12 ' SG ' ' A' ' 10' ' ' CYS . 7.0 p -75.39 144.68 11.76 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-N 117.605 0.702 . . . . 0.0 110.966 179.038 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.508 ' HG2' ' CD1' ' A' ' 6' ' ' TYR . 87.5 mttt -84.82 95.48 9.0 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.243 178.265 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -76.01 -22.94 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.961 -173.489 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.715 ' N ' ' HB2' ' A' ' 5' ' ' TYR . . . . . . . . 0 N--CA 1.445 -0.707 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.263 -175.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.0 m . . . . . 0 N--CA 1.445 -0.69 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 29.2 p-10 -46.6 -43.33 17.23 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 111.983 0.364 . . . . 0.0 111.983 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -63.02 -34.78 78.3 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -178.525 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -78.81 -29.44 44.83 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-O 120.887 0.375 . . . . 0.0 110.203 -178.323 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 36.4 mtm180 -67.46 -44.11 79.4 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 174.686 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -65.84 -30.77 71.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.643 176.614 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -70.39 -46.29 64.29 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.206 -177.195 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.235 0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.042 -179.057 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.441 ' HB ' ' HA ' ' A' ' 3' ' ' LEU . 5.1 m . . . . . 0 N--CA 1.441 -0.921 0 CA-C-O 121.555 0.693 . . . . 0.0 111.25 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -127.71 97.83 4.98 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.287 -0.87 . . . . 0.0 109.12 -177.813 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 17.6 m -118.05 144.33 26.39 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-O 120.946 0.403 . . . . 0.0 111.28 -175.696 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.609 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 38.3 mt -104.83 132.84 50.58 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.101 179.243 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.689 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 14.1 t -152.79 172.44 16.72 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 -178.164 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.513 HD11 ' CZ ' ' A' ' 8' ' ' ARG . 1.8 mt -90.81 128.77 42.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 120.781 0.324 . . . . 0.0 110.984 -178.313 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 13.8 p -82.68 171.89 13.52 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.303 178.766 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -56.79 -47.83 79.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 123.278 0.361 . . . . 0.0 110.904 -176.03 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -57.71 -46.05 84.91 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.661 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 98.2 m -70.16 -40.88 74.48 Favored 'General case' 0 C--O 1.216 -0.659 0 C-N-CA 121.02 -0.272 . . . . 0.0 110.925 -179.459 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.815 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 0.2 OUTLIER -55.94 -37.0 68.39 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 121.222 0.534 . . . . 0.0 110.431 174.197 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -75.55 -38.93 58.92 Favored 'General case' 0 N--CA 1.426 -1.648 0 O-C-N 120.785 -1.197 . . . . 0.0 110.694 178.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.88 -31.48 62.85 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 122.527 1.156 . . . . 0.0 109.207 169.67 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.815 ' HB2' ' O ' ' A' ' 59' ' ' GLN . 0.3 OUTLIER -68.62 -59.12 3.36 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 113.582 -1.644 . . . . 0.0 110.955 177.541 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.6 t70 . . . . . 0 C--N 1.323 -0.568 0 CA-C-N 114.376 -1.284 . . . . 0.0 113.126 -170.905 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.588 HD12 ' N ' ' A' ' 3' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.45 -0.457 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 36.5 m170 -101.82 123.25 45.46 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 177.209 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -90.87 122.32 33.48 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.719 -175.238 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.679 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 68.3 m-85 -131.6 138.25 48.74 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 173.746 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.599 ' HB3' ' HB2' ' A' ' 10' ' ' CYS . 34.5 t -77.85 142.93 38.21 Favored 'General case' 0 CA--C 1.503 -0.842 0 CA-C-O 121.554 0.693 . . . . 0.0 112.553 -172.214 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.415 ' O ' ' HB3' ' A' ' 9' ' ' HIS . 35.8 ptt180 -72.25 124.42 25.03 Favored 'General case' 0 N--CA 1.436 -1.129 0 CA-C-N 114.259 -1.337 . . . . 0.0 108.903 169.387 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.415 ' HB3' ' O ' ' A' ' 8' ' ' ARG . 48.8 t-80 88.08 -43.28 0.03 OUTLIER 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 114.089 -1.414 . . . . 0.0 110.885 175.858 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.599 ' HB2' ' HB3' ' A' ' 7' ' ' CYS . 68.0 m -79.08 -43.08 24.88 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.251 0.548 . . . . 0.0 111.089 177.492 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 79.99 9.67 86.44 Favored Glycine 0 N--CA 1.446 -0.654 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.89 -172.317 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.59 HG12 ' HB2' ' A' ' 10' ' ' CYS . 2.9 p -76.56 137.85 21.8 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.492 0 CA-C-O 121.497 0.665 . . . . 0.0 112.382 -176.813 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.409 ' HZ1' ' HE2' ' A' ' 6' ' ' TYR . 18.7 mtpp -73.31 96.89 2.37 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.593 -1.185 . . . . 0.0 109.585 -179.563 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -82.79 -9.47 11.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.026 0.441 . . . . 0.0 110.366 -176.515 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.929 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -177.495 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.5 p . . . . . 0 N--CA 1.454 -0.243 0 N-CA-C 110.419 -0.215 . . . . 0.0 110.419 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -67.48 -28.32 67.75 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 174.459 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -56.97 -55.48 34.12 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.835 175.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -51.76 -44.15 63.23 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.288 -1.324 . . . . 0.0 112.034 -179.423 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -56.65 -36.55 69.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.628 -176.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 44.3 t-20 -65.05 -42.51 94.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.946 0.403 . . . . 0.0 110.274 -178.622 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -76.37 -37.14 57.65 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.021 -178.588 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 49.5 ttm . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.09 -179.905 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.452 ' HB ' ' HA ' ' A' ' 3' ' ' LEU . 2.9 t . . . . . 0 N--CA 1.455 -0.208 0 CA-C-O 121.162 0.506 . . . . 0.0 109.712 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -83.33 92.25 7.48 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.805 -177.419 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.0 m -102.99 134.92 42.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.099 -178.246 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.679 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 83.8 mt -98.26 108.83 21.63 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.577 177.464 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 15.2 t -125.07 -176.34 3.54 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.718 -173.437 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.412 HD13 ' HG ' ' A' ' 62' ' ' LEU . 40.1 mt -87.87 126.37 41.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.555 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 17.2 p -83.06 167.7 17.61 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 176.287 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -54.08 -42.95 69.9 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.993 0.425 . . . . 0.0 110.612 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -66.27 -35.39 80.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.141 -178.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.445 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 11.5 m -70.02 -54.16 14.41 Favored 'General case' 0 C--O 1.214 -0.779 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.759 177.132 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.697 ' HA ' ' HB2' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -49.06 -33.12 10.85 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.301 0.64 . . . . 0.0 110.726 174.144 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -60.88 -55.62 30.87 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-O 120.868 0.366 . . . . 0.0 110.968 176.039 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.28 -32.32 73.87 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.82 0.819 . . . . 0.0 109.965 174.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.697 ' HB2' ' HA ' ' A' ' 59' ' ' GLN . 0.4 OUTLIER -61.22 -62.53 1.77 Allowed 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 113.896 -1.502 . . . . 0.0 112.277 -173.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 28.8 t70 . . . . . 0 C--N 1.327 -0.41 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.994 -177.01 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.472 HD12 ' N ' ' A' ' 3' ' ' LEU . 5.5 mp . . . . . 0 CA--C 1.507 -0.693 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.466 ' HB3' ' CE2' ' A' ' 6' ' ' TYR . 13.8 m-70 -80.24 123.32 27.84 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.476 -178.283 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.514 ' CD1' HG21 ' A' ' 53' ' ' THR . 2.9 m-30 -96.68 120.16 36.49 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-N 115.038 -0.983 . . . . 0.0 111.011 -175.026 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.551 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 90.3 m-85 -130.74 135.01 47.38 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 173.47 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.658 ' HB3' ' HB2' ' A' ' 10' ' ' CYS . 34.0 t -76.88 140.42 40.57 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 114.082 1.141 . . . . 0.0 114.082 -167.272 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.441 ' HD2' ' HB2' ' A' ' 9' ' ' HIS . 5.6 tmm_? -59.09 115.8 3.41 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 113.309 -1.769 . . . . 0.0 109.348 166.57 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.441 ' HB2' ' HD2' ' A' ' 8' ' ' ARG . 21.9 t-80 85.93 -47.02 0.06 Allowed 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.921 0.888 . . . . 0.0 111.756 173.592 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.658 ' HB2' ' HB3' ' A' ' 7' ' ' CYS . 77.4 m -70.92 -42.56 69.74 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.422 0.63 . . . . 0.0 110.596 177.695 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 78.25 9.65 86.82 Favored Glycine 0 N--CA 1.443 -0.834 0 CA-C-N 115.196 -0.911 . . . . 0.0 111.614 -172.807 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.619 HG12 ' HB2' ' A' ' 10' ' ' CYS . 2.5 p -75.28 137.75 22.3 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 CA-C-O 121.19 0.519 . . . . 0.0 112.178 -175.581 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.559 ' H ' ' HD2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -70.55 97.09 1.26 Allowed 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 114.79 -1.095 . . . . 0.0 109.933 178.725 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -91.79 2.19 8.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 120.995 0.426 . . . . 0.0 110.734 -179.334 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.438 0 C-N-CA 120.912 -0.661 . . . . 0.0 111.536 177.974 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.4 p . . . . . 0 N--CA 1.445 -0.716 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 54.2 m-80 -57.19 -34.94 69.0 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.017 0.437 . . . . 0.0 109.914 177.339 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -77.37 -40.75 42.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.979 -0.555 . . . . 0.0 112.172 -176.403 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -70.75 -27.17 63.74 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 179.191 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -72.07 -31.75 66.4 Favored 'General case' 0 N--CA 1.438 -1.046 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.591 176.178 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -66.86 -44.08 81.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.754 0.311 . . . . 0.0 110.305 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -62.97 -36.38 83.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.158 0.504 . . . . 0.0 110.729 177.135 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 14.9 tpt . . . . . 0 C--N 1.325 -0.458 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.731 -175.948 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.45 ' CG2' ' HA ' ' A' ' 3' ' ' LEU . 2.6 m . . . . . 0 N--CA 1.443 -0.816 0 CA-C-O 121.416 0.626 . . . . 0.0 110.31 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 13.6 t60 -120.88 95.66 4.8 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.372 -177.518 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 12.9 m -109.31 137.74 39.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-O 121.169 0.509 . . . . 0.0 111.765 -175.658 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.551 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 3.1 mm? -96.24 109.03 21.58 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.24 176.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.56 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 13.8 t -123.11 170.46 10.18 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.84 -174.005 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.42 HG23 ' HB2' ' A' ' 58' ' ' CYS . 1.5 mt -87.17 123.39 39.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.035 176.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.463 ' SG ' ' HB3' ' A' ' 57' ' ' ASP . 19.7 p -72.27 165.3 24.72 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.323 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -55.34 -39.77 70.4 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.254 0.55 . . . . 0.0 109.773 179.167 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.463 ' HB3' ' SG ' ' A' ' 55' ' ' CYS . 31.2 t70 -63.36 -38.66 92.03 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.056 179.599 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.718 ' O ' HD23 ' A' ' 62' ' ' LEU . 8.1 m -68.68 -55.75 10.39 Favored 'General case' 0 C--O 1.222 -0.342 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.89 177.422 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.564 ' HA ' ' HB2' ' A' ' 62' ' ' LEU . 4.0 tt0 -49.05 -31.93 8.63 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.245 0.545 . . . . 0.0 111.547 -178.207 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -65.6 -56.04 14.35 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.419 0.628 . . . . 0.0 110.959 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.3 -31.3 67.36 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.435 174.203 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.718 HD23 ' O ' ' A' ' 58' ' ' CYS . 0.8 OUTLIER -62.48 -61.9 2.12 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 113.985 -1.462 . . . . 0.0 112.021 -176.324 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 33.7 t70 . . . . . 0 C--N 1.326 -0.445 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.752 -179.657 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.43 ' HA ' ' CG2' ' A' ' 49' ' ' VAL . 5.6 mp . . . . . 0 CA--C 1.503 -0.828 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 67.3 m80 -89.27 124.12 34.11 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.642 -178.159 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.725 ' HB2' ' N ' ' A' ' 15' ' ' GLY . 14.3 m-30 -91.66 137.54 32.28 Favored 'General case' 0 C--N 1.309 -1.192 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.433 177.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.572 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 68.0 m-85 -140.4 122.99 16.21 Favored 'General case' 0 C--N 1.311 -1.108 0 N-CA-C 106.546 -1.65 . . . . 0.0 106.546 175.546 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.6 ' HB3' ' HB2' ' A' ' 10' ' ' CYS . 49.4 t -71.64 130.13 40.41 Favored 'General case' 0 CA--C 1.502 -0.888 0 C-N-CA 119.238 -0.985 . . . . 0.0 112.129 -172.534 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.455 ' NH2' HD11 ' A' ' 62' ' ' LEU . 32.4 ptt180 -55.17 125.94 22.71 Favored 'General case' 0 N--CA 1.438 -1.036 0 CA-C-N 113.744 -1.571 . . . . 0.0 109.691 174.887 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.436 ' HB3' ' O ' ' A' ' 8' ' ' ARG . 50.5 t-80 79.82 -21.74 0.31 Allowed 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 114.385 -1.279 . . . . 0.0 111.594 175.177 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.6 ' HB2' ' HB3' ' A' ' 7' ' ' CYS . 99.4 m -94.44 -40.34 9.96 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.063 0.459 . . . . 0.0 111.602 178.466 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 81.6 0.07 88.73 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.114 -176.757 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.45 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 2.2 p -70.34 140.6 18.24 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.542 0 CA-C-O 120.861 0.362 . . . . 0.0 111.462 -177.508 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -81.8 93.84 6.92 Favored 'General case' 0 CA--C 1.501 -0.918 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 -179.286 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.528 HG13 ' HB3' ' A' ' 5' ' ' TYR . 9.7 p -104.74 11.26 8.63 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.446 0 CA-C-N 114.663 -1.153 . . . . 0.0 110.363 -169.541 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.725 ' N ' ' HB2' ' A' ' 5' ' ' TYR . . . . . . . . 0 CA--C 1.506 -0.527 0 CA-C-N 114.705 -1.134 . . . . 0.0 110.57 171.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.497 ' O ' ' HG3' ' A' ' 37' ' ' ARG . 9.0 t . . . . . 0 N--CA 1.448 -0.532 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -49.9 -34.98 22.02 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 118.059 0.391 . . . . 0.0 111.612 -176.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -72.77 -55.54 6.58 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.153 0.502 . . . . 0.0 111.264 176.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.416 ' O ' ' HB2' ' A' ' 40' ' ' MET . 21.6 tt0 -65.5 -29.58 70.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.905 -175.143 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.497 ' HG3' ' O ' ' A' ' 33' ' ' THR . 17.8 mtm180 -72.02 -33.13 67.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.01 0.434 . . . . 0.0 110.43 177.148 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -78.35 -47.8 16.94 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.468 -179.596 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -73.68 -56.77 4.57 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.648 -178.217 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.416 ' HB2' ' O ' ' A' ' 36' ' ' GLU . 26.1 mmt . . . . . 0 C--N 1.327 -0.391 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.199 -175.201 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.43 ' CG2' ' HA ' ' A' ' 3' ' ' LEU . 2.5 m . . . . . 0 N--CA 1.45 -0.459 0 CA-C-O 121.018 0.437 . . . . 0.0 109.941 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 49.8 p-80 -136.77 123.99 21.8 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.406 -176.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 15.6 m -128.44 136.14 60.75 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.523 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.572 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 83.0 mt -89.89 115.47 27.23 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.679 178.233 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.423 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 12.2 t -127.86 -171.28 2.4 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.678 -173.538 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.4 mt -102.08 120.82 52.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.873 -178.656 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.518 ' SG ' ' HB3' ' A' ' 57' ' ' ASP . 16.1 p -73.9 165.13 25.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.81 174.813 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -53.27 -41.53 65.63 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.701 0.286 . . . . 0.0 111.253 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.518 ' HB3' ' SG ' ' A' ' 55' ' ' CYS . 16.7 t70 -57.26 -48.87 77.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.058 178.094 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.44 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 69.5 m -67.9 -36.3 79.97 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.195 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 -52.63 -34.82 53.11 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.995 173.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -72.38 -44.67 62.2 Favored 'General case' 0 N--CA 1.439 -1.025 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.805 -179.422 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.36 -32.68 74.45 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 177.517 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.455 HD11 ' NH2' ' A' ' 8' ' ' ARG . 0.5 OUTLIER -63.3 -58.77 6.06 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 113.81 -1.541 . . . . 0.0 111.709 176.574 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.6 t70 . . . . . 0 C--N 1.316 -0.87 0 CA-C-N 114.512 -1.222 . . . . 0.0 110.93 177.982 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.439 HD12 ' N ' ' A' ' 3' ' ' LEU . 5.7 mp . . . . . 0 CA--C 1.515 -0.389 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 9.1 m170 -89.17 122.49 32.51 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 -177.169 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.55 ' HB2' ' N ' ' A' ' 15' ' ' GLY . 3.8 m-30 -90.93 121.44 32.76 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.454 -179.201 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.482 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 64.9 m-85 -127.99 128.45 45.05 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 174.694 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.645 ' HB3' ' HB2' ' A' ' 10' ' ' CYS . 24.6 t -73.44 144.55 46.26 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 -168.069 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 34.7 ttp85 -54.74 112.97 1.14 Allowed 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 113.658 -1.61 . . . . 0.0 109.977 168.17 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 81.91 -46.31 0.19 Allowed 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.078 0.951 . . . . 0.0 111.597 174.425 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.662 ' HB2' HG12 ' A' ' 12' ' ' VAL . 48.9 m -70.72 -35.18 72.59 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.091 0.472 . . . . 0.0 111.441 -178.766 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 75.76 -2.5 54.26 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.961 -0.638 . . . . 0.0 112.159 -175.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.662 HG12 ' HB2' ' A' ' 10' ' ' CYS . 2.5 p -65.17 135.28 28.54 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 CA-C-O 121.448 0.642 . . . . 0.0 112.051 -177.123 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.486 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 54.0 mttp -72.84 98.79 2.51 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 114.403 -1.271 . . . . 0.0 109.71 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -82.33 -3.46 7.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.375 0.607 . . . . 0.0 109.99 -177.659 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.55 ' N ' ' HB2' ' A' ' 5' ' ' TYR . . . . . . . . 0 N--CA 1.442 -0.926 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.173 179.186 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.448 -0.548 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -58.79 -30.56 67.67 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.574 0.226 . . . . 0.0 110.874 179.154 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -56.26 -44.14 79.41 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.137 176.425 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -72.8 -40.86 65.54 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 120.901 -0.32 . . . . 0.0 110.552 177.811 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 32.9 mtm180 -59.22 -40.11 84.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.285 -173.81 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -78.39 -40.51 35.9 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.454 -0.499 . . . . 0.0 111.759 -177.597 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -79.45 -58.12 3.36 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -175.358 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 3.7 mpp? . . . . . 0 C--N 1.327 -0.382 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -173.287 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.402 ' HB ' ' HG ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.421 0 CA-C-O 120.602 0.239 . . . . 0.0 110.874 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 42.3 p-80 -127.19 138.51 53.14 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 178.613 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.492 HG23 ' HA ' ' A' ' 5' ' ' TYR . 1.3 m -133.42 124.73 49.24 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.72 -179.79 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.482 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 3.1 mm? -84.95 109.7 18.35 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.282 177.346 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 14.5 t -133.13 -174.34 3.46 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.366 -177.699 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.416 HG23 ' HB2' ' A' ' 58' ' ' CYS . 1.3 mt -100.29 119.64 48.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.308 -175.797 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.416 ' SG ' ' HB3' ' A' ' 57' ' ' ASP . 19.6 p -68.24 166.14 16.99 Favored 'General case' 0 CA--C 1.522 -0.105 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.842 176.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.424 ' O ' ' HB3' ' A' ' 59' ' ' GLN . 42.6 mt-10 -58.5 -32.67 69.03 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.696 0.284 . . . . 0.0 110.564 -178.277 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.416 ' HB3' ' SG ' ' A' ' 55' ' ' CYS . 23.2 t70 -66.57 -44.72 81.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.727 178.101 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.416 ' HB2' HG23 ' A' ' 54' ' ' ILE . 33.2 m -65.09 -42.0 94.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.029 0.443 . . . . 0.0 110.065 174.661 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.424 ' HB3' ' O ' ' A' ' 56' ' ' GLU . 21.6 tp60 -51.6 -36.18 44.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.784 173.506 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -73.97 -43.96 56.39 Favored 'General case' 0 N--CA 1.434 -1.243 0 CA-C-O 120.902 0.382 . . . . 0.0 111.416 179.036 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.98 -29.02 69.43 Favored 'General case' 0 CA--C 1.507 -0.705 0 CA-C-O 122.628 1.204 . . . . 0.0 108.516 177.482 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.404 ' HB2' ' O ' ' A' ' 58' ' ' CYS . 0.5 OUTLIER -75.16 -60.2 2.4 Favored 'General case' 0 N--CA 1.427 -1.6 0 CA-C-N 113.514 -1.675 . . . . 0.0 112.065 -179.384 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.6 t70 . . . . . 0 C--N 1.318 -0.781 0 CA-C-N 114.733 -1.122 . . . . 0.0 112.552 -173.234 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.447 HD12 ' N ' ' A' ' 3' ' ' LEU . 6.3 mp . . . . . 0 CA--C 1.514 -0.438 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.503 ' HB3' ' CE2' ' A' ' 6' ' ' TYR . 77.0 m80 -87.63 123.74 32.8 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 179.624 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.488 ' CD2' HG21 ' A' ' 53' ' ' THR . 2.4 m-30 -101.77 112.25 24.78 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.199 -0.91 . . . . 0.0 111.039 -174.252 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.55 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 80.6 m-85 -124.0 135.4 53.6 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 174.677 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.628 ' HB3' ' HB2' ' A' ' 10' ' ' CYS . 9.1 t -82.02 131.96 35.25 Favored 'General case' 0 CA--C 1.505 -0.771 0 C-N-CA 120.07 -0.652 . . . . 0.0 112.68 -171.819 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.538 HH21 HD11 ' A' ' 54' ' ' ILE . 3.3 ppt_? -66.6 124.28 22.39 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-N 114.671 -1.149 . . . . 0.0 108.849 170.779 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.434 ' HB3' ' O ' ' A' ' 8' ' ' ARG . 45.2 t60 90.51 -17.07 0.2 Allowed 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 114.289 -1.323 . . . . 0.0 110.856 172.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.628 ' HB2' ' HB3' ' A' ' 7' ' ' CYS . 63.0 m -110.6 -39.69 4.82 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.993 0.425 . . . . 0.0 111.4 179.351 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 81.25 3.98 90.56 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.866 -0.683 . . . . 0.0 111.833 -174.444 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.613 HG12 ' HB2' ' A' ' 10' ' ' CYS . 1.9 p -74.58 132.48 33.28 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.459 0 CA-C-O 121.532 0.682 . . . . 0.0 112.391 -177.733 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.509 ' HG3' ' CD1' ' A' ' 6' ' ' TYR . 0.1 OUTLIER -75.56 95.16 3.28 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 114.362 -1.29 . . . . 0.0 109.519 177.72 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -75.67 -31.6 23.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.335 -172.304 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.416 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.087 -176.255 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 96.3 m . . . . . 0 CA--C 1.531 0.239 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 15.1 p-10 -77.05 -28.84 54.94 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 170.334 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.447 ' HG3' ' H ' ' A' ' 35' ' ' GLU . 10.5 mt-10 -62.26 -36.61 82.59 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.22 -1.354 . . . . 0.0 109.33 174.234 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -65.43 -50.73 64.32 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.431 -1.259 . . . . 0.0 109.995 175.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -64.85 -54.56 29.05 Favored 'General case' 0 N--CA 1.442 -0.83 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.784 -175.587 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -75.5 -57.76 3.69 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.934 -173.068 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.409 ' HB2' ' O ' ' A' ' 35' ' ' GLU . 5.1 m-20 -73.91 -56.06 5.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.929 -173.815 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 18.7 ttt . . . . . 0 C--N 1.324 -0.513 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.621 -174.748 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.417 ' CG2' ' HA ' ' A' ' 3' ' ' LEU . 2.2 m . . . . . 0 N--CA 1.445 -0.72 0 CA-C-O 121.463 0.649 . . . . 0.0 109.944 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -125.4 92.5 3.63 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.115 -0.948 . . . . 0.0 108.806 -176.741 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.5 m -109.8 134.13 52.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-O 121.326 0.584 . . . . 0.0 112.051 -172.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.55 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 86.2 mt -90.52 115.78 27.92 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.259 174.577 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.488 HG21 ' CD2' ' A' ' 5' ' ' TYR . 14.6 t -128.53 -173.4 2.95 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.706 -173.14 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.546 HD13 HD11 ' A' ' 62' ' ' LEU . 1.7 mt -100.62 122.15 52.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.602 -179.267 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 18.8 p -72.84 166.19 23.43 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 174.47 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -56.96 -41.26 78.01 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 117.687 0.221 . . . . 0.0 111.29 -175.492 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -60.36 -39.78 88.41 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.963 0.411 . . . . 0.0 110.879 177.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 13.1 m -66.2 -45.24 81.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.927 176.352 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.813 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 18.4 tt0 -59.04 -30.97 68.43 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.873 0.368 . . . . 0.0 111.683 173.564 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -71.26 -41.61 69.85 Favored 'General case' 0 N--CA 1.429 -1.487 0 O-C-N 121.191 -0.943 . . . . 0.0 111.025 174.548 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.24 -31.16 61.28 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 122.207 1.003 . . . . 0.0 109.183 169.753 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.813 ' HB2' ' O ' ' A' ' 59' ' ' GLN . 0.4 OUTLIER -68.97 -58.72 3.73 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 113.394 -1.73 . . . . 0.0 111.416 178.476 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.2 t70 . . . . . 0 C--N 1.319 -0.752 0 CA-C-N 114.41 -1.268 . . . . 0.0 111.91 -176.776 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.509 ' CB ' ' HB ' ' A' ' 49' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.447 -0.623 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.463 ' O ' ' HB ' ' A' ' 51' ' ' VAL . 1.4 m80 -129.16 127.37 41.25 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.556 -177.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.448 ' CD1' HG21 ' A' ' 53' ' ' THR . 3.3 m-85 -89.08 116.13 27.13 Favored 'General case' 0 C--N 1.298 -1.672 0 CA-C-N 114.718 -1.128 . . . . 0.0 111.161 -177.298 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.483 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 99.1 m-85 -124.65 135.24 52.9 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 171.296 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.551 ' HB2' HG13 ' A' ' 12' ' ' VAL . 3.2 t -82.47 132.22 35.21 Favored 'General case' 0 CA--C 1.5 -0.944 0 C-N-CA 118.915 -1.114 . . . . 0.0 112.649 -172.532 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.461 ' HG3' ' O ' ' A' ' 8' ' ' ARG . 20.6 ptt180 -62.28 123.34 17.95 Favored 'General case' 0 N--CA 1.436 -1.138 0 CA-C-N 114.246 -1.343 . . . . 0.0 108.942 173.848 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 26.5 t-80 82.72 -41.21 0.11 Allowed 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.358 168.32 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.576 ' HB2' HG12 ' A' ' 12' ' ' VAL . 26.5 m -72.85 -33.34 66.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.279 0.561 . . . . 0.0 110.063 175.639 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 75.53 12.15 83.9 Favored Glycine 0 N--CA 1.448 -0.561 0 CA-C-N 115.35 -0.841 . . . . 0.0 112.221 179.042 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.576 HG12 ' HB2' ' A' ' 10' ' ' CYS . 1.3 p -83.0 130.35 35.87 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 CA-C-O 121.122 0.487 . . . . 0.0 111.433 -178.565 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.611 ' HD3' ' O ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -80.29 95.75 6.43 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.979 0.895 . . . . 0.0 109.458 178.748 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.402 HG23 ' H ' ' A' ' 14' ' ' VAL . 0.0 OUTLIER -73.52 -35.6 45.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.939 -174.812 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.828 0 N-CA-C 110.709 -0.956 . . . . 0.0 110.709 -179.905 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.3 m . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -50.96 -49.06 60.79 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 120.803 0.335 . . . . 0.0 111.207 179.391 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -53.76 -39.03 65.01 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.883 -0.599 . . . . 0.0 112.017 179.44 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -67.12 -46.4 74.25 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.119 0.485 . . . . 0.0 110.314 178.257 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 74.2 mtp180 -60.89 -43.15 98.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.294 -0.867 . . . . 0.0 110.967 -178.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -72.87 -26.94 61.63 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.273 -178.449 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -71.85 -57.34 4.41 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.656 -0.247 . . . . 0.0 111.636 -175.249 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 46.8 tpp . . . . . 0 C--N 1.328 -0.362 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.801 -177.842 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.509 ' HB ' ' CB ' ' A' ' 3' ' ' LEU . 6.7 t . . . . . 0 CA--C 1.521 -0.137 0 CA-C-O 120.882 0.372 . . . . 0.0 111.051 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 71.2 t60 -73.94 103.92 4.61 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 176.746 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.463 ' HB ' ' O ' ' A' ' 4' ' ' HIS . 66.4 t -107.71 123.09 62.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.446 -171.853 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.483 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 3.2 mm? -103.16 110.08 21.9 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.859 177.028 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.448 HG21 ' CD1' ' A' ' 5' ' ' TYR . 15.2 t -125.38 -170.66 2.21 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.293 -0.412 . . . . 0.0 109.957 -178.776 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.589 HG12 ' SG ' ' A' ' 58' ' ' CYS . 0.4 OUTLIER -114.13 114.57 47.08 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 CA-C-O 121.379 0.609 . . . . 0.0 110.388 177.257 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 22.0 p -70.66 -177.89 1.67 Allowed 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.309 177.561 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -69.53 -32.58 71.49 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.688 -0.233 . . . . 0.0 111.407 -176.734 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -56.6 -50.78 70.94 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 120.876 0.369 . . . . 0.0 111.448 -178.45 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.607 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 2.3 p -75.72 -51.5 12.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.822 -178.812 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.553 ' HB2' ' CG2' ' A' ' 54' ' ' ILE . 21.1 tm0? -51.91 -35.84 46.88 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.254 0.622 . . . . 0.0 112.176 -176.792 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -67.53 -56.26 10.21 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 121.061 0.458 . . . . 0.0 110.659 -176.556 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.9 -32.0 73.18 Favored 'General case' 0 CA--C 1.503 -0.845 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 179.05 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.607 ' HB2' ' O ' ' A' ' 58' ' ' CYS . 0.2 OUTLIER -58.64 -58.64 7.66 Favored 'General case' 0 N--CA 1.44 -0.958 0 CA-C-N 113.731 -1.577 . . . . 0.0 111.451 -177.378 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.7 t70 . . . . . 0 C--N 1.318 -0.765 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.791 -177.081 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.412 ' HA ' ' CG2' ' A' ' 49' ' ' VAL . 6.6 mp . . . . . 0 CA--C 1.519 -0.245 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 35.7 m80 -86.01 121.48 28.7 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 -179.622 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.477 ' HB2' ' N ' ' A' ' 15' ' ' GLY . 7.6 m-30 -98.75 126.26 44.32 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.305 -173.443 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.535 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 81.8 m-85 -131.36 131.43 43.69 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 173.591 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.574 ' HB3' ' HB2' ' A' ' 10' ' ' CYS . 11.8 t -78.19 137.21 38.04 Favored 'General case' 0 CA--C 1.5 -0.972 0 CA-C-O 121.735 0.779 . . . . 0.0 112.882 -170.342 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.453 ' O ' ' HB3' ' A' ' 9' ' ' HIS . 34.0 ptt180 -65.89 126.48 28.67 Favored 'General case' 0 N--CA 1.435 -1.218 0 CA-C-N 113.836 -1.529 . . . . 0.0 108.674 168.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.453 ' HB3' ' O ' ' A' ' 8' ' ' ARG . 24.3 t60 86.97 -44.39 0.04 OUTLIER 'General case' 0 C--N 1.309 -1.155 0 CA-C-N 114.061 -1.427 . . . . 0.0 110.933 173.595 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.634 ' HB2' HG12 ' A' ' 12' ' ' VAL . 61.1 m -78.45 -42.47 29.81 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.275 0.559 . . . . 0.0 111.283 179.749 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 81.44 8.66 86.8 Favored Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 120.522 -0.846 . . . . 0.0 111.6 -173.475 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.634 HG12 ' HB2' ' A' ' 10' ' ' CYS . 2.4 p -78.09 134.65 27.8 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.571 0 CA-C-O 121.436 0.636 . . . . 0.0 111.736 -178.042 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.7 mttm -76.58 93.93 3.66 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 114.718 -1.128 . . . . 0.0 108.881 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.472 ' HB ' ' HB3' ' A' ' 5' ' ' TYR . 0.3 OUTLIER -69.94 -30.81 45.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.037 -172.717 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.477 ' N ' ' HB2' ' A' ' 5' ' ' TYR . . . . . . . . 0 C--N 1.329 0.18 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.319 -178.321 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.466 ' O ' ' HB3' ' A' ' 36' ' ' GLU . 58.7 m . . . . . 0 CA--C 1.537 0.453 0 CA-C-O 120.416 0.15 . . . . 0.0 111.195 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -74.54 -36.83 63.14 Favored 'General case' 0 CA--C 1.511 -0.526 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 176.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -73.52 -26.08 60.71 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.824 -1.08 . . . . 0.0 108.998 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.466 ' HB3' ' O ' ' A' ' 33' ' ' THR . 39.3 tt0 -56.61 -46.43 80.91 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.341 -1.3 . . . . 0.0 110.943 178.57 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 52.3 mtm180 -68.04 -31.97 71.99 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.988 -177.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 -73.36 -43.49 60.6 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.167 -178.554 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -67.33 -31.94 72.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.555 179.234 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 15.7 tpt . . . . . 0 C--O 1.233 0.189 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.032 177.25 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.412 ' CG2' ' HA ' ' A' ' 3' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.449 -0.497 0 CA-C-O 121.053 0.454 . . . . 0.0 110.265 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -117.28 108.08 15.19 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.008 -175.783 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.4 m -127.68 143.84 39.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.272 0.558 . . . . 0.0 112.002 -176.512 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.535 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 2.8 mm? -98.48 122.65 41.94 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 175.174 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.423 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 13.8 t -142.8 -172.48 3.66 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 120.907 0.384 . . . . 0.0 111.36 -173.248 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 7.1 mt -88.17 128.92 40.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.993 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 17.6 p -82.75 166.63 18.89 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 173.804 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.427 ' H ' ' CD ' ' A' ' 56' ' ' GLU . 52.9 mp0 -55.06 -45.71 75.34 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.801 0.334 . . . . 0.0 110.794 -177.212 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.426 ' O ' ' HB3' ' A' ' 60' ' ' GLU . 25.1 t70 -61.26 -40.9 95.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.311 179.478 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.681 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 4.6 m -61.02 -53.82 52.45 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.53 176.452 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.432 ' OE1' ' HB2' ' A' ' 63' ' ' ASP . 0.0 OUTLIER -53.2 -37.12 61.71 Favored 'General case' 0 N--CA 1.467 0.376 0 O-C-N 123.712 0.633 . . . . 0.0 110.846 177.916 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.426 ' HB3' ' O ' ' A' ' 57' ' ' ASP . 8.8 tp10 -58.1 -56.99 14.93 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.764 0.792 . . . . 0.0 111.438 -179.672 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.45 -28.22 68.42 Favored 'General case' 0 N--CA 1.44 -0.94 0 CA-C-N 114.275 -1.33 . . . . 0.0 108.203 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.681 ' HB2' ' O ' ' A' ' 58' ' ' CYS . 0.3 OUTLIER -70.07 -57.97 4.36 Favored 'General case' 0 N--CA 1.434 -1.242 0 CA-C-N 113.956 -1.474 . . . . 0.0 111.294 -173.118 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.432 ' HB2' ' OE1' ' A' ' 59' ' ' GLN . 38.8 t70 . . . . . 0 C--N 1.324 -0.525 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.735 -178.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.474 ' HA ' ' HB ' ' A' ' 49' ' ' VAL . 7.1 mp . . . . . 0 CA--C 1.513 -0.457 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.427 ' HB2' ' O ' ' A' ' 49' ' ' VAL . 40.0 m80 -93.2 122.08 35.22 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 108.423 -0.955 . . . . 0.0 108.423 176.403 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.575 ' H ' ' HA3' ' A' ' 15' ' ' GLY . 13.1 m-30 -99.74 129.8 45.89 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.639 -174.566 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.401 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 77.1 m-85 -127.4 132.67 50.08 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-O 121.62 0.724 . . . . 0.0 110.676 176.781 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.691 ' HB3' ' O ' ' A' ' 12' ' ' VAL . 0.0 OUTLIER -76.88 117.86 18.9 Favored 'General case' 0 N--CA 1.437 -1.111 0 CA-C-N 114.521 -1.218 . . . . 0.0 112.137 -174.394 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.417 HH21 HD11 ' A' ' 62' ' ' LEU . 32.9 ptt180 -66.18 131.59 46.52 Favored 'General case' 0 N--CA 1.436 -1.131 0 CA-C-N 115.223 -0.899 . . . . 0.0 108.662 166.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 44.6 t-80 90.46 -58.77 0.02 OUTLIER 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 115.316 -0.857 . . . . 0.0 113.26 168.46 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -83.6 -24.77 31.35 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 119.912 -0.715 . . . . 0.0 110.822 -172.071 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 83.62 33.18 22.71 Favored Glycine 0 C--N 1.334 0.435 0 C-N-CA 120.966 -0.635 . . . . 0.0 113.536 174.715 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.691 ' O ' ' HB3' ' A' ' 7' ' ' CYS . 2.4 p -106.38 139.81 26.55 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-O 121.961 0.886 . . . . 0.0 112.076 176.114 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 31.0 mtmm -89.76 94.77 9.96 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.102 -178.677 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.494 HG23 ' HB3' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -71.27 -22.51 22.45 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 CA-C-O 120.831 0.348 . . . . 0.0 111.063 -177.582 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.575 ' HA3' ' H ' ' A' ' 5' ' ' TYR . . . . . . . . 0 N--CA 1.447 -0.613 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.071 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.5 p . . . . . 0 N--CA 1.447 -0.589 0 CA-C-O 120.602 0.239 . . . . 0.0 110.657 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.422 ' HA ' ' HD3' ' A' ' 37' ' ' ARG . 77.9 m-20 -64.23 -23.05 67.17 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.225 0.536 . . . . 0.0 109.867 177.365 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -54.84 -55.58 28.74 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.538 172.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -67.64 -33.46 75.0 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.898 -1.046 . . . . 0.0 110.653 -177.112 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.422 ' HD3' ' HA ' ' A' ' 34' ' ' ASN . 77.7 mtp180 -56.51 -50.06 72.9 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 115.74 -0.663 . . . . 0.0 111.476 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 47.7 m-80 -78.22 -38.23 43.58 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.751 0.31 . . . . 0.0 111.309 -178.668 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -77.82 -58.29 3.35 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -171.621 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 16.7 tpt . . . . . 0 C--N 1.322 -0.6 0 CA-C-O 120.835 0.35 . . . . 0.0 111.323 -173.132 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.474 ' HB ' ' HA ' ' A' ' 3' ' ' LEU . 2.3 m . . . . . 0 N--CA 1.444 -0.774 0 CA-C-O 121.284 0.564 . . . . 0.0 111.308 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 29.7 t60 -134.87 96.4 3.52 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.412 -177.437 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 26.0 m -121.33 143.03 35.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 120.819 0.342 . . . . 0.0 111.159 -176.134 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.431 HD22 ' N ' ' A' ' 52' ' ' LEU . 0.9 OUTLIER -101.61 123.67 46.0 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 174.589 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 12.3 t -141.21 -179.94 6.4 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 121.111 0.481 . . . . 0.0 111.031 -172.416 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 11.1 mt -86.34 114.68 26.23 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.514 -178.22 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.506 ' HB3' ' HB2' ' A' ' 7' ' ' CYS . 8.5 p -79.63 -179.62 6.98 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 176.008 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.473 ' O ' ' HG2' ' A' ' 60' ' ' GLU . 41.8 mt-10 -58.0 -48.04 81.22 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.949 0.405 . . . . 0.0 110.304 177.722 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -64.67 -32.66 74.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.843 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.46 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 14.1 m -61.89 -54.8 36.99 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.065 0.46 . . . . 0.0 110.19 175.841 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.09 -35.56 67.14 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.583 179.577 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.473 ' HG2' ' O ' ' A' ' 56' ' ' GLU . 13.7 mm-40 -67.67 -45.81 74.15 Favored 'General case' 0 N--CA 1.437 -1.119 0 CA-C-O 120.933 0.397 . . . . 0.0 112.015 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.72 -30.47 71.57 Favored 'General case' 0 CA--C 1.509 -0.597 0 CA-C-O 122.339 1.066 . . . . 0.0 108.376 177.725 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.46 ' HB2' ' O ' ' A' ' 58' ' ' CYS . 0.4 OUTLIER -73.21 -59.54 2.66 Favored 'General case' 0 N--CA 1.43 -1.446 0 CA-C-N 113.132 -1.849 . . . . 0.0 112.25 -175.448 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.5 t70 . . . . . 0 C--N 1.322 -0.607 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.355 -174.018 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.457 ' HA ' ' HB ' ' A' ' 49' ' ' VAL . 6.0 mp . . . . . 0 CA--C 1.515 -0.379 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.551 ' O ' ' HB ' ' A' ' 51' ' ' VAL . 36.9 m80 -101.95 123.41 45.82 Favored 'General case' 0 CA--C 1.497 -1.065 0 C-N-CA 120.69 -0.404 . . . . 0.0 109.923 -173.832 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.587 ' CD1' HG21 ' A' ' 53' ' ' THR . 2.8 m-85 -98.54 111.73 23.99 Favored 'General case' 0 C--N 1.302 -1.46 0 CA-C-N 115.109 -0.95 . . . . 0.0 110.516 -176.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.591 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 81.4 m-85 -120.89 127.13 51.59 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 173.291 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.534 ' HA ' ' O ' ' A' ' 53' ' ' THR . 12.2 t -77.82 127.65 32.74 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 113.24 0.829 . . . . 0.0 113.24 -167.16 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.525 HH21 HD11 ' A' ' 54' ' ' ILE . 0.7 OUTLIER -75.26 126.16 30.45 Favored 'General case' 0 N--CA 1.436 -1.164 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 168.717 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.507 ' HB3' ' O ' ' A' ' 8' ' ' ARG . 44.8 t60 109.69 -32.28 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 124.935 1.294 . . . . 0.0 111.597 171.505 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.803 ' SG ' HG12 ' A' ' 12' ' ' VAL . 11.7 p -128.08 -10.6 5.35 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 119.768 -0.773 . . . . 0.0 112.12 179.801 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 68.17 29.45 73.33 Favored Glycine 0 C--N 1.333 0.377 0 C-N-CA 121.296 -0.478 . . . . 0.0 114.065 174.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.803 HG12 ' SG ' ' A' ' 10' ' ' CYS . 7.7 p -88.37 146.25 6.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.347 0.594 . . . . 0.0 111.648 177.706 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -81.38 104.57 11.92 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.117 174.604 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.432 HG23 ' HB3' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -96.1 -7.69 9.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.018 0.437 . . . . 0.0 110.516 -179.046 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.509 ' N ' ' HB2' ' A' ' 5' ' ' TYR . . . . . . . . 0 N--CA 1.445 -0.758 0 C-N-CA 120.808 -0.71 . . . . 0.0 111.961 -179.538 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.417 HG22 ' N ' ' A' ' 34' ' ' ASN . 83.7 m . . . . . 0 CA--C 1.543 0.682 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.417 ' N ' HG22 ' A' ' 33' ' ' THR . 86.2 m-20 -81.01 -34.6 32.8 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-O 121.718 0.771 . . . . 0.0 109.367 -176.232 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.58 ' H ' ' CD ' ' A' ' 35' ' ' GLU . 1.1 pm0 -70.75 -24.09 62.54 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 114.648 -1.16 . . . . 0.0 110.168 176.261 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -59.08 -41.03 87.07 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.306 173.542 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 59.8 mtm180 -63.93 -33.58 76.02 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.497 176.749 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -77.83 -20.48 53.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.454 179.348 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -78.46 -16.11 57.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.71 177.495 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 67.4 mtt . . . . . 0 C--N 1.333 -0.131 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.693 179.26 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.457 ' HB ' ' HA ' ' A' ' 3' ' ' LEU . 18.8 m . . . . . 0 N--CA 1.441 -0.901 0 CA-C-O 121.881 0.848 . . . . 0.0 111.284 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -119.4 95.98 5.02 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 177.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.551 ' HB ' ' O ' ' A' ' 4' ' ' HIS . 37.2 t -112.64 121.52 65.11 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.154 0 CA-C-N 115.195 -0.911 . . . . 0.0 111.599 -167.693 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.591 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 24.4 mt -97.1 118.97 34.71 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 175.624 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.587 HG21 ' CD1' ' A' ' 5' ' ' TYR . 9.4 t -134.21 -176.83 4.33 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.105 -171.791 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.525 HD11 HH21 ' A' ' 8' ' ' ARG . 20.6 mt -107.22 123.16 62.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.832 -179.192 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 13.8 p -76.19 164.16 26.36 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 176.306 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 46.3 tt0 -49.11 -47.95 44.87 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 123.381 0.426 . . . . 0.0 111.153 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -60.79 -41.73 96.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.694 -0.685 . . . . 0.0 112.025 -176.648 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.448 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 97.9 m -72.87 -46.25 53.87 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.918 179.199 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.414 ' HB2' HG22 ' A' ' 54' ' ' ILE . 1.5 tm0? -51.58 -36.45 45.45 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 121.067 0.46 . . . . 0.0 110.632 174.334 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -72.33 -44.43 62.67 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.942 -178.723 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.97 -33.97 76.93 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-O 122.245 1.021 . . . . 0.0 108.611 177.195 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.448 ' HB2' ' O ' ' A' ' 58' ' ' CYS . 0.5 OUTLIER -63.66 -61.78 2.09 Favored 'General case' 0 N--CA 1.435 -1.184 0 CA-C-N 113.334 -1.757 . . . . 0.0 111.532 177.289 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.7 t70 . . . . . 0 C--N 1.314 -0.97 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.503 -179.668 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 . . . . . 0 N--CA 1.48 1.032 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 15.1 m -69.58 103.21 2.02 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.683 -179.064 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.7 ptm -138.33 152.46 48.49 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.795 -178.131 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -172.74 -152.53 0.06 Allowed 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.487 -177.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.824 HD22 HG11 ' A' ' 49' ' ' VAL . 23.7 mt -67.53 154.14 42.08 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 176.672 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 25.4 m170 -88.59 120.14 29.7 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 107.467 -1.309 . . . . 0.0 107.467 174.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.53 ' HB2' ' N ' ' A' ' 15' ' ' GLY . 7.0 m-30 -100.47 118.26 36.32 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.765 -172.781 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.728 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 96.5 m-85 -126.27 130.14 50.3 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 173.731 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.426 ' HB2' HG13 ' A' ' 12' ' ' VAL . 16.3 t -76.45 143.8 40.31 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 122.04 0.924 . . . . 0.0 113.232 -166.538 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.545 HH21 HD11 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -67.73 119.31 12.25 Favored 'General case' 0 N--CA 1.439 -0.996 0 CA-C-N 113.457 -1.701 . . . . 0.0 109.966 172.524 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 28.9 t60 88.05 -47.22 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 114.447 -1.252 . . . . 0.0 112.849 167.486 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.842 ' SG ' HG12 ' A' ' 12' ' ' VAL . 1.7 p -92.17 -12.78 31.9 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 119.476 -0.89 . . . . 0.0 110.853 -173.726 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.44 32.41 79.12 Favored Glycine 0 C--N 1.332 0.344 0 CA-C-N 115.449 -0.796 . . . . 0.0 114.284 172.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.842 HG12 ' SG ' ' A' ' 10' ' ' CYS . 3.9 p -91.95 143.7 10.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 117.57 0.685 . . . . 0.0 110.976 175.53 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 34.3 mtmm -84.38 97.3 9.41 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.382 -0.827 . . . . 0.0 109.838 178.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.41 HG23 ' HB3' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -80.92 -16.65 12.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -175.206 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.53 ' N ' ' HB2' ' A' ' 5' ' ' TYR . . . -128.35 61.06 0.66 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.257 -179.158 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.0 t -171.69 96.26 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 179.556 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.513 ' HG ' ' N ' ' A' ' 18' ' ' GLU . 1.7 pt? -138.77 -43.66 0.48 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.41 0.624 . . . . 0.0 110.627 177.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.513 ' N ' ' HG ' ' A' ' 17' ' ' LEU . 10.6 pt-20 -99.83 23.9 9.11 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.826 -177.338 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.5 m -65.94 -15.83 63.33 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.399 -178.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.9 m -57.93 -40.77 81.27 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.19 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.41 ' SD ' ' N ' ' A' ' 21' ' ' MET . 1.0 OUTLIER -115.14 -24.4 8.54 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.371 0.605 . . . . 0.0 110.09 -179.299 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 59.0 t -94.0 80.07 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.773 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.549 176.195 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.8 m -75.24 79.07 2.35 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.795 -179.165 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.0 t -132.09 5.5 4.17 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 115.157 -0.928 . . . . 0.0 109.593 176.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -96.81 -23.76 16.23 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.277 -173.532 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 24.0 t -104.08 132.28 50.49 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.924 -174.277 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.8 tt -79.85 138.05 37.1 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.344 178.148 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -74.26 77.92 0.99 Allowed Glycine 0 N--CA 1.447 -0.603 0 N-CA-C 111.711 -0.556 . . . . 0.0 111.711 177.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -51.92 -70.12 0.09 Allowed 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 122.835 0.454 . . . . 0.0 111.695 -178.547 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -141.64 -86.25 0.17 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.522 0.677 . . . . 0.0 110.251 179.31 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 13.7 t-80 -144.99 65.1 1.27 Allowed 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 114.848 -1.069 . . . . 0.0 110.253 -177.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -90.68 -85.44 0.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.862 -177.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.573 ' O ' ' HG3' ' A' ' 37' ' ' ARG . 44.3 p -111.98 -175.77 2.77 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 122.4 -0.187 . . . . 0.0 110.874 -179.754 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -64.93 -27.19 68.68 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 175.274 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -65.53 -47.25 76.55 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.733 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -65.01 -34.62 78.87 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.943 177.171 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.573 ' HG3' ' O ' ' A' ' 33' ' ' THR . 90.1 mtt180 -61.8 -33.13 73.57 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.047 176.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -73.69 -40.1 63.89 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.993 0.425 . . . . 0.0 110.912 -178.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -78.92 -10.28 59.76 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.788 179.165 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.426 ' HG2' ' O ' ' A' ' 40' ' ' MET . 45.8 ttm -61.98 -10.54 10.0 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 122.914 0.485 . . . . 0.0 111.731 -175.441 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.407 ' C ' ' H ' ' A' ' 43' ' ' TYR . 13.2 tt -52.14 153.58 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.169 173.735 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.0 t -77.54 36.7 0.21 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.078 0.466 . . . . 0.0 111.873 -172.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.407 ' H ' ' C ' ' A' ' 41' ' ' ILE . 48.2 t80 -169.87 107.5 0.37 Allowed 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 176.792 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.472 ' CD ' ' HB2' ' A' ' 48' ' ' ASP . 98.6 mttt -48.03 107.6 0.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 O-C-N 124.051 0.844 . . . . 0.0 111.838 -174.014 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -74.3 -28.01 60.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.749 -178.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -63.05 -15.67 57.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.993 176.372 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 100.74 -24.34 32.39 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 121.055 -0.593 . . . . 0.0 113.047 174.267 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.472 ' HB2' ' CD ' ' A' ' 44' ' ' LYS . 33.1 t70 54.65 58.25 5.03 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 121.91 0.862 . . . . 0.0 109.131 -173.299 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.824 HG11 HD22 ' A' ' 3' ' ' LEU . 0.0 OUTLIER -136.31 111.34 11.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 114.837 -1.074 . . . . 0.0 111.04 -174.296 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -123.9 91.46 3.47 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 179.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.8 m -106.56 139.04 29.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.505 -173.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.728 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 10.5 mp -99.96 115.09 28.87 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.62 176.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 13.6 t -132.11 -179.64 5.54 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.519 -172.144 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.545 HD11 HH21 ' A' ' 8' ' ' ARG . 31.5 mt -94.77 125.49 47.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.832 -179.635 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.592 ' SG ' ' HB3' ' A' ' 57' ' ' ASP . 17.3 p -82.3 175.21 10.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.294 175.61 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -56.17 -45.52 79.67 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.045 0.45 . . . . 0.0 109.997 178.038 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.592 ' HB3' ' SG ' ' A' ' 55' ' ' CYS . 4.4 t70 -57.54 -49.37 76.55 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.219 -0.9 . . . . 0.0 112.061 179.75 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 92.2 m -73.34 -35.14 65.98 Favored 'General case' 0 C--O 1.218 -0.587 0 C-N-CA 120.368 -0.533 . . . . 0.0 111.067 -176.129 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.79 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 0.2 OUTLIER -55.72 -38.31 69.57 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-O 121.178 0.513 . . . . 0.0 109.884 170.746 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -76.97 -33.24 57.65 Favored 'General case' 0 N--CA 1.428 -1.549 0 O-C-N 121.022 -1.049 . . . . 0.0 111.394 178.087 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.573 ' HB1' ' CD2' ' A' ' 68' ' ' TYR . . . -56.23 -30.3 62.18 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 122.081 0.943 . . . . 0.0 108.616 167.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.79 ' HB2' ' O ' ' A' ' 59' ' ' GLN . 0.1 OUTLIER -77.06 -59.18 2.89 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 113.737 -1.574 . . . . 0.0 111.469 -178.765 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -72.79 -27.43 61.98 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.142 -0.935 . . . . 0.0 112.316 -173.525 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 54.2 mtm180 -92.5 -22.5 19.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 121.987 -0.446 . . . . 0.0 111.62 -178.197 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -133.67 126.0 18.76 Favored Pre-proline 0 C--N 1.324 -0.511 0 N-CA-C 110.229 -0.286 . . . . 0.0 110.229 179.181 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.05 102.88 0.08 OUTLIER 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.804 2.336 . . . . 0.0 112.699 -178.07 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 62.67 26.35 15.61 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.93 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.573 ' CD2' ' HB1' ' A' ' 61' ' ' ALA . 16.9 t80 53.06 66.3 1.27 Allowed 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.958 -176.762 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 63.2 m-70 65.73 -176.38 0.18 Allowed 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.888 177.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -106.01 -177.09 3.26 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.237 -179.002 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -76.74 -61.35 2.0 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.943 0.401 . . . . 0.0 110.233 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 23.3 t60 -152.72 -49.05 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.732 -178.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.1 m . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.562 -0.732 . . . . 0.0 111.044 -175.584 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 . . . . . 0 N--CA 1.478 0.947 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 49.2 m 64.9 46.89 2.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.387 0.613 . . . . 0.0 111.294 179.22 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.454 ' SD ' ' HA ' ' A' ' 16' ' ' SER . 71.8 mtm -120.84 149.09 43.12 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.172 173.208 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -117.93 -56.54 2.18 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.458 0.647 . . . . 0.0 110.333 -178.002 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.471 ' HA ' ' HB ' ' A' ' 49' ' ' VAL . 7.7 mp -117.86 153.28 33.79 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.021 178.161 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.608 ' HB2' ' O ' ' A' ' 49' ' ' VAL . 67.3 m170 -95.17 121.99 37.39 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 178.526 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.544 ' CD2' HG21 ' A' ' 53' ' ' THR . 4.2 m-30 -95.55 123.88 39.31 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 115.219 -0.901 . . . . 0.0 110.518 -176.46 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.546 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 70.9 m-85 -128.34 134.43 48.87 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 174.24 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.637 ' HB3' ' HB2' ' A' ' 10' ' ' CYS . 11.8 t -80.19 135.98 36.39 Favored 'General case' 0 CA--C 1.506 -0.724 0 CA-C-O 121.57 0.7 . . . . 0.0 112.684 -172.012 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.2 ppt_? -67.7 123.05 19.42 Favored 'General case' 0 N--CA 1.436 -1.14 0 CA-C-N 114.692 -1.14 . . . . 0.0 108.884 171.345 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 73.3 t60 85.49 -7.65 0.84 Allowed 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.585 -1.188 . . . . 0.0 111.292 172.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.637 ' HB2' ' HB3' ' A' ' 7' ' ' CYS . 62.6 m -116.13 -41.86 3.12 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.152 0.501 . . . . 0.0 110.619 175.603 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 84.88 -4.83 84.45 Favored Glycine 0 N--CA 1.444 -0.803 0 C-N-CA 120.714 -0.755 . . . . 0.0 111.825 -174.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.608 HG12 ' HB2' ' A' ' 10' ' ' CYS . 2.1 p -63.19 131.9 28.85 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.504 0 CA-C-O 121.462 0.649 . . . . 0.0 111.962 -177.544 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.536 ' H ' ' HD2' ' A' ' 13' ' ' LYS . 2.1 mptp? -76.41 95.71 3.88 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 114.336 -1.302 . . . . 0.0 108.82 179.267 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -73.92 -37.4 47.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.593 -0.731 . . . . 0.0 111.034 -171.403 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.529 ' N ' ' HB2' ' A' ' 5' ' ' TYR . . . -103.92 -46.98 1.3 Allowed Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.444 -0.884 . . . . 0.0 112.754 -175.167 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.454 ' HA ' ' SD ' ' A' ' 1' ' ' MET . 2.5 p -87.55 81.17 7.83 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.423 0.63 . . . . 0.0 110.726 -178.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.707 HD23 ' H ' ' A' ' 17' ' ' LEU . 2.6 pt? -102.22 -21.18 14.42 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.145 -177.455 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -62.43 -30.51 71.28 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.555 -1.202 . . . . 0.0 110.216 176.273 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.9 m -148.56 113.09 5.32 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.074 -0.966 . . . . 0.0 109.438 175.558 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.7 m -121.2 -19.78 6.97 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.013 -178.321 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -149.79 18.72 0.9 Allowed 'General case' 0 CA--C 1.515 -0.398 0 CA-C-O 122.159 0.98 . . . . 0.0 108.914 174.587 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 28.5 m -137.76 24.3 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 CA-C-N 113.964 -1.471 . . . . 0.0 109.822 -174.129 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.0 m -73.57 111.29 8.58 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.112 -0.949 . . . . 0.0 110.963 -175.362 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.0 p -83.37 9.06 11.85 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.457 0.646 . . . . 0.0 110.93 179.351 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -84.78 -19.57 32.38 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 122.071 0.939 . . . . 0.0 108.883 175.389 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.3 t -74.91 90.06 2.4 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.23 -1.35 . . . . 0.0 110.698 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 69.5 mt -103.28 -79.9 0.53 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.775 177.211 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 65.07 105.91 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.863 -0.684 . . . . 0.0 111.431 -171.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.74 ' CD2' HD12 ' A' ' 32' ' ' LEU . 20.3 m-30 -79.18 170.56 16.46 Favored 'General case' 0 N--CA 1.435 -1.198 0 CA-C-O 121.617 0.722 . . . . 0.0 109.349 -178.222 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -126.65 -49.06 1.51 Allowed 'General case' 0 C--N 1.303 -1.434 0 CA-C-N 114.689 -1.141 . . . . 0.0 111.905 -173.372 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 16.4 t-80 -124.19 21.37 8.84 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.058 0.456 . . . . 0.0 111.025 -173.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.74 HD12 ' CD2' ' A' ' 29' ' ' PHE . 10.4 mt -90.5 160.12 16.15 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 173.698 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.515 HG23 ' HG2' ' A' ' 35' ' ' GLU . 7.3 t -80.12 179.81 7.43 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.969 0.414 . . . . 0.0 111.513 -171.608 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 24.4 p-10 -55.5 -52.49 63.5 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.827 -175.5 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.515 ' HG2' HG23 ' A' ' 33' ' ' THR . 13.1 pt-20 -64.31 -24.88 67.81 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.693 0.283 . . . . 0.0 111.145 -178.166 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.475 ' HG2' HG22 ' A' ' 33' ' ' THR . 34.7 mm-40 -76.67 -30.75 56.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.287 0.565 . . . . 0.0 110.319 177.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.493 ' HG3' ' O ' ' A' ' 33' ' ' THR . 88.2 mtt180 -84.57 -43.04 14.85 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.045 -178.836 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 52.4 m-80 -76.67 -33.6 58.27 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -174.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -75.91 -45.66 34.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.016 0.436 . . . . 0.0 110.467 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -86.22 23.02 1.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.859 179.095 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.634 ' O ' ' HB2' ' A' ' 42' ' ' SER . 15.2 tt -62.89 174.36 0.38 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.646 -178.359 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.634 ' HB2' ' O ' ' A' ' 41' ' ' ILE . 21.3 m 83.96 -20.24 0.32 Allowed 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.763 0.825 . . . . 0.0 111.706 -178.297 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -75.58 44.37 0.28 Allowed 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.951 -175.114 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -103.75 -177.67 3.44 Favored 'General case' 0 C--N 1.318 -0.778 0 O-C-N 122.201 -0.312 . . . . 0.0 110.921 -175.295 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -62.9 -40.03 96.32 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.775 0.321 . . . . 0.0 111.6 -176.437 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -81.15 -17.58 49.32 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.927 0.394 . . . . 0.0 110.519 179.12 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.6 25.27 61.07 Favored Glycine 0 N--CA 1.451 -0.332 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.969 178.391 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.5 ' HB2' ' HA ' ' A' ' 42' ' ' SER . 21.0 t70 68.93 -64.77 0.31 Allowed 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.345 0.658 . . . . 0.0 111.606 -177.653 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.608 ' O ' ' HB2' ' A' ' 4' ' ' HIS . 10.5 m -65.02 94.5 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.888 0 CA-C-O 121.72 0.771 . . . . 0.0 110.845 178.305 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -124.06 91.41 3.45 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.096 -177.094 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.8 m -112.1 126.85 69.54 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.802 -177.366 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.546 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 3.2 mm? -92.55 114.85 27.51 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.348 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.544 HG21 ' CD2' ' A' ' 5' ' ' TYR . 13.7 t -133.02 -171.04 2.58 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.568 -173.613 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.418 HD13 HD22 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -103.61 127.03 58.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.236 0.541 . . . . 0.0 111.059 -178.528 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 22.3 p -76.11 169.3 18.45 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.953 -179.017 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 -53.82 -42.13 68.09 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.953 0.406 . . . . 0.0 110.253 178.591 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -61.42 -48.38 81.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.029 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.445 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 30.5 m -61.91 -52.85 62.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.761 176.769 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -54.68 -34.21 61.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.642 -179.7 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -68.44 -46.17 70.56 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 111.79 0.293 . . . . 0.0 111.79 -179.086 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.41 -33.4 75.62 Favored 'General case' 0 CA--C 1.512 -0.511 0 CA-C-O 122.194 0.997 . . . . 0.0 108.531 178.645 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.445 ' HB2' ' O ' ' A' ' 58' ' ' CYS . 0.4 OUTLIER -65.08 -57.95 7.31 Favored 'General case' 0 N--CA 1.437 -1.076 0 CA-C-N 113.119 -1.855 . . . . 0.0 111.941 178.857 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -57.67 -37.63 73.74 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.579 -1.191 . . . . 0.0 111.268 -179.382 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -61.57 -63.78 1.16 Allowed 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 175.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -161.79 126.76 2.13 Favored Pre-proline 0 C--N 1.324 -0.525 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 177.541 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -53.2 -22.05 18.71 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 123.585 2.856 . . . . 0.0 113.747 -177.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 -84.66 64.78 8.7 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.457 0.646 . . . . 0.0 110.184 179.422 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.576 ' O ' ' HB2' ' A' ' 69' ' ' HIS . 23.9 p90 -89.3 22.23 2.96 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.417 179.252 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.576 ' HB2' ' O ' ' A' ' 68' ' ' TYR . 29.4 m80 80.37 83.23 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.292 0 O-C-N 123.993 0.808 . . . . 0.0 111.389 -176.826 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -76.41 99.02 4.73 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.928 175.439 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 30.3 p90 -66.04 -42.17 89.89 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.653 -0.703 . . . . 0.0 112.245 -175.577 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 59.3 85.6 0.1 Allowed 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.76 0.314 . . . . 0.0 110.582 -173.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 26.6 m . . . . . 0 C--O 1.247 0.946 0 CA-C-O 118.378 -0.82 . . . . 0.0 110.128 178.575 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 . . . . . 0 N--CA 1.482 1.162 0 CA-C-O 120.766 0.317 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 22.7 m -76.18 -28.54 57.34 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.411 0.624 . . . . 0.0 109.717 174.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.2 ttt -132.42 145.25 51.07 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.626 175.617 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.411 ' O ' HG21 ' A' ' 49' ' ' VAL . . . -143.79 -70.02 0.31 Allowed 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.063 -178.711 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.496 ' HA ' ' CG2' ' A' ' 49' ' ' VAL . 6.1 mp -90.46 155.08 19.17 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.933 -176.215 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 -95.39 122.52 38.19 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.514 177.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.62 ' HB2' ' N ' ' A' ' 15' ' ' GLY . 5.7 m-30 -95.46 128.13 42.07 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.443 -179.199 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.437 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 83.6 m-85 -130.65 135.79 48.2 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 173.63 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.624 ' HB3' ' HB2' ' A' ' 10' ' ' CYS . 35.0 t -79.81 138.33 37.2 Favored 'General case' 0 CA--C 1.511 -0.528 0 CA-C-O 121.894 0.854 . . . . 0.0 113.254 -170.448 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.51 ' O ' ' HB3' ' A' ' 9' ' ' HIS . 40.3 ttp85 -55.31 116.37 2.79 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 113.578 -1.646 . . . . 0.0 109.567 166.501 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.51 ' HB3' ' O ' ' A' ' 8' ' ' ARG . 14.1 t-160 85.26 -49.24 0.08 Allowed 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.822 0.849 . . . . 0.0 111.315 173.827 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.624 ' HB2' ' HB3' ' A' ' 7' ' ' CYS . 62.5 m -70.51 -40.17 73.68 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.23 0.538 . . . . 0.0 110.839 179.087 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 78.74 4.83 88.32 Favored Glycine 0 N--CA 1.447 -0.57 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.654 -174.637 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.605 HG12 ' HB2' ' A' ' 10' ' ' CYS . 2.6 p -71.43 135.55 27.72 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.619 0 CA-C-O 121.317 0.58 . . . . 0.0 112.127 -176.461 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.611 ' HD3' ' H ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -72.99 94.12 1.83 Allowed 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 114.889 -1.051 . . . . 0.0 109.381 179.072 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -73.33 -21.9 19.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.139 0.495 . . . . 0.0 110.028 -176.779 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.62 ' N ' ' HB2' ' A' ' 5' ' ' TYR . . . -113.24 22.41 15.7 Favored Glycine 0 N--CA 1.447 -0.592 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.776 -176.316 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.484 ' HA ' ' OG ' ' A' ' 19' ' ' SER . 10.5 t -149.51 77.02 1.33 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.885 0.85 . . . . 0.0 109.954 176.754 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.406 HD23 ' N ' ' A' ' 17' ' ' LEU . 2.2 pt? -136.84 -26.5 1.05 Allowed 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 114.393 -1.276 . . . . 0.0 109.492 178.243 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.62 -23.95 14.89 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 114.463 -1.244 . . . . 0.0 109.955 177.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.484 ' OG ' ' HA ' ' A' ' 16' ' ' SER . 1.7 p -78.23 -20.47 51.67 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.962 -1.017 . . . . 0.0 111.625 -178.749 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.9 m -52.66 -35.85 55.85 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.129 -0.941 . . . . 0.0 111.985 -178.384 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 67.1 mtt -107.48 16.98 23.29 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-O 121.634 0.731 . . . . 0.0 110.358 -176.311 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 76.0 t -115.03 128.53 72.15 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-N 115.025 -0.988 . . . . 0.0 110.021 -179.233 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 30.0 m -67.75 113.43 5.51 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.566 -179.319 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.7 m -58.5 116.68 3.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.975 -178.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -96.33 -21.7 17.65 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.447 -177.516 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 46.7 t -67.4 -88.85 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.62 -177.156 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.4 HD13 ' CZ ' ' A' ' 29' ' ' PHE . 50.6 mt 63.4 157.63 0.07 Allowed 'General case' 0 CA--C 1.531 0.216 0 CA-C-O 121.816 0.817 . . . . 0.0 111.912 177.842 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -87.66 25.13 8.74 Favored Glycine 0 N--CA 1.449 -0.435 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.916 174.116 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.4 ' CZ ' HD13 ' A' ' 27' ' ' LEU . 51.4 p90 -158.3 167.44 29.75 Favored 'General case' 0 N--CA 1.444 -0.738 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.436 ' HG3' ' N ' ' A' ' 31' ' ' HIS . 4.0 pt20 -95.86 -47.05 6.31 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.143 -175.068 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.436 ' N ' ' HG3' ' A' ' 30' ' ' GLN . 43.7 t-80 -175.1 56.22 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 178.135 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.9 mp -81.2 -176.08 5.78 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.055 -177.491 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.3 p -68.89 170.88 8.85 Favored 'General case' 0 N--CA 1.446 -0.646 0 N-CA-C 112.651 0.611 . . . . 0.0 112.651 -174.167 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 25.7 m-80 -59.64 -39.93 86.0 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.67 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -61.29 -25.99 67.48 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.645 -177.025 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -71.32 -45.62 62.57 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 120.901 0.382 . . . . 0.0 110.4 179.295 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -76.29 -26.43 55.88 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-O 120.89 0.376 . . . . 0.0 111.092 -178.39 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -72.36 -39.13 68.31 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 175.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -78.25 -58.12 3.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.756 0.312 . . . . 0.0 111.715 -179.432 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 43.5 ttp -84.46 -5.97 59.33 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.92 -173.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 49.6 mm 69.76 -74.53 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.283 178.691 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 50.7 m -150.27 -64.12 0.21 Allowed 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 178.098 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 66.6 t80 67.3 128.9 0.02 OUTLIER 'General case' 0 C--N 1.334 -0.092 0 O-C-N 124.147 0.904 . . . . 0.0 111.594 179.182 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.408 ' HE2' ' O ' ' A' ' 2' ' ' ALA . 30.2 mmmt -90.37 122.8 33.57 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.676 174.787 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -63.57 -11.41 24.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.095 -179.584 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -74.99 18.92 0.16 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.587 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.29 25.61 39.3 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 121.046 -0.597 . . . . 0.0 112.249 179.252 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 32.0 t70 61.13 113.83 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.5 0.666 . . . . 0.0 110.864 -173.62 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.496 ' CG2' ' HA ' ' A' ' 3' ' ' LEU . 1.5 m -114.52 93.98 2.86 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 CA-C-O 121.609 0.718 . . . . 0.0 111.287 -172.81 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -119.69 103.33 9.29 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.437 -177.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.6 m -119.22 142.33 34.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.126 0.489 . . . . 0.0 111.515 -177.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.437 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 84.8 mt -103.24 133.48 48.26 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.668 177.775 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.534 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 14.6 t -152.51 179.65 8.39 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.155 -177.278 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -91.56 128.91 42.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.186 179.077 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 20.6 p -73.04 162.97 28.84 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.907 178.332 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -53.77 -39.82 65.73 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.968 0.413 . . . . 0.0 110.35 -178.413 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -63.44 -46.7 85.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.206 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.639 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 11.0 m -57.69 -50.39 73.36 Favored 'General case' 0 C--O 1.223 -0.329 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 174.442 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 35.4 tp60 -51.78 -43.86 63.18 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.242 176.203 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -67.81 -46.42 71.94 Favored 'General case' 0 N--CA 1.436 -1.16 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.864 -177.421 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.57 -32.62 73.5 Favored 'General case' 0 CA--C 1.504 -0.813 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 -178.511 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.639 ' HB2' ' O ' ' A' ' 58' ' ' CYS . 0.6 OUTLIER -60.69 -56.61 19.2 Favored 'General case' 0 N--CA 1.431 -1.379 0 CA-C-N 113.838 -1.528 . . . . 0.0 111.675 179.035 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -67.6 -31.09 70.9 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.008 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 76.4 ttt180 -73.2 -47.78 40.7 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.725 178.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 31.7 t30 -138.87 111.53 8.09 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.717 -177.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -61.62 -21.26 71.63 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 123.02 2.48 . . . . 0.0 112.063 177.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 39.2 m-70 -95.78 52.42 1.34 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.493 179.496 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -54.27 114.77 1.76 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.459 -174.552 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 41.0 t-80 -70.85 107.02 3.82 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.508 178.408 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.424 ' HB3' ' CE1' ' A' ' 9' ' ' HIS . 37.2 mt-10 -121.63 5.11 10.07 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.41 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 46.5 t80 69.61 -75.69 0.07 Allowed 'General case' 0 N--CA 1.464 0.23 0 O-C-N 123.804 0.69 . . . . 0.0 110.544 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 59.82 94.01 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 123.131 0.572 . . . . 0.0 111.64 178.502 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.3 m . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.301 -0.857 . . . . 0.0 110.314 178.432 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 . . . . . 0 N--CA 1.48 1.063 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 1.4 m -122.12 42.16 3.21 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.905 0.383 . . . . 0.0 110.728 -175.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.4 ppp? -150.24 159.84 44.14 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.997 0.427 . . . . 0.0 111.231 -178.297 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.439 ' O ' HG21 ' A' ' 49' ' ' VAL . . . -140.31 -52.16 0.49 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.629 176.049 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.418 ' HA ' ' CG2' ' A' ' 49' ' ' VAL . 6.5 mp -111.28 155.79 22.48 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 114.833 -1.076 . . . . 0.0 108.717 174.814 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 50.1 m80 -88.31 121.41 30.68 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-O 121.359 0.6 . . . . 0.0 109.426 178.556 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.546 ' CD1' HG21 ' A' ' 53' ' ' THR . 2.8 m-30 -93.42 117.62 30.3 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-N 114.917 -1.038 . . . . 0.0 109.972 -178.678 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -121.44 143.94 48.96 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-O 121.441 0.639 . . . . 0.0 109.955 174.298 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.655 ' HB3' ' O ' ' A' ' 12' ' ' VAL . 0.0 OUTLIER -81.58 121.56 26.47 Favored 'General case' 0 N--CA 1.434 -1.228 0 CA-C-N 114.988 -1.006 . . . . 0.0 111.988 -172.555 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.513 ' HG2' ' O ' ' A' ' 53' ' ' THR . 5.6 ptm180 -61.3 125.14 22.68 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 114.331 -1.304 . . . . 0.0 109.975 166.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 21.0 t60 86.57 -59.62 0.05 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.122 -0.945 . . . . 0.0 113.12 168.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -81.32 -22.16 38.7 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 119.658 -0.817 . . . . 0.0 110.714 -172.235 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.435 ' N ' ' SG ' ' A' ' 7' ' ' CYS . . . 84.14 22.39 54.86 Favored Glycine 0 C--N 1.332 0.332 0 C-N-CA 121.229 -0.51 . . . . 0.0 114.315 172.293 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.655 ' O ' ' HB3' ' A' ' 7' ' ' CYS . 2.0 p -94.25 137.35 23.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 117.83 0.815 . . . . 0.0 112.22 179.466 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.541 ' H ' ' HD2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -79.75 107.32 12.43 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.628 -178.83 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -93.6 -5.09 10.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.647 -175.63 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.443 ' HA3' ' H ' ' A' ' 5' ' ' TYR . . . -100.67 4.96 56.63 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.457 -0.878 . . . . 0.0 112.683 -177.186 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.3 p -128.24 86.12 2.42 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.025 0.441 . . . . 0.0 111.057 -177.106 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.412 HD23 ' H ' ' A' ' 17' ' ' LEU . 1.1 pt? -113.25 -18.18 12.15 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.402 0.62 . . . . 0.0 109.377 177.196 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -80.53 69.92 7.12 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.826 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.417 ' C ' ' H ' ' A' ' 21' ' ' MET . 45.9 p -122.22 172.09 8.54 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.656 177.172 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.9 t 73.55 -36.11 0.34 Allowed 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 123.288 0.635 . . . . 0.0 111.1 -179.031 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.417 ' H ' ' C ' ' A' ' 19' ' ' SER . 90.0 mtp -90.39 12.71 17.6 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.266 0.555 . . . . 0.0 110.743 179.037 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.505 HG22 ' H ' ' A' ' 24' ' ' THR . 6.4 p -144.09 130.98 16.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.586 -178.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.0 t -118.11 16.96 14.12 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.811 0.815 . . . . 0.0 109.488 178.217 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.505 ' H ' HG22 ' A' ' 22' ' ' VAL . 41.7 m -132.26 87.15 2.4 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.818 -1.083 . . . . 0.0 110.454 178.818 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -90.96 -32.35 16.0 Favored 'General case' 0 CA--C 1.514 -0.433 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 176.165 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.3 t -66.09 102.8 0.86 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.887 -1.051 . . . . 0.0 109.607 175.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 34.1 mt 64.07 96.17 0.04 OUTLIER 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 121.916 0.865 . . . . 0.0 110.279 -175.349 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -93.96 78.88 1.0 Allowed Glycine 0 N--CA 1.445 -0.724 0 CA-C-N 114.766 -1.107 . . . . 0.0 112.986 -171.367 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 7.3 p90 -147.19 -168.7 3.12 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 173.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -138.35 -47.0 0.51 Allowed 'General case' 0 C--N 1.317 -0.823 0 C-N-CA 120.743 -0.383 . . . . 0.0 111.216 -175.51 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.482 ' O ' HD23 ' A' ' 32' ' ' LEU . 53.7 t-80 -164.41 103.08 0.84 Allowed 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.465 176.843 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.482 HD23 ' O ' ' A' ' 31' ' ' HIS . 42.6 mt -132.0 153.63 50.16 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.077 -174.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.534 ' O ' ' HB3' ' A' ' 36' ' ' GLU . 51.5 m -130.06 -81.0 0.55 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.68 0.276 . . . . 0.0 111.038 -178.349 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -81.48 -24.24 36.87 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 173.679 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -67.5 -42.44 82.85 Favored 'General case' 0 C--O 1.215 -0.74 0 CA-C-N 114.087 -1.415 . . . . 0.0 108.561 173.353 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.534 ' HB3' ' O ' ' A' ' 33' ' ' THR . 5.9 tp10 -48.63 -43.34 36.36 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.031 -1.44 . . . . 0.0 110.488 175.614 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -66.68 -43.5 84.27 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.354 -179.652 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -78.34 -42.69 29.85 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -176.225 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.58 ' O ' ' HB3' ' A' ' 43' ' ' TYR . 3.8 m-20 -70.12 -27.95 64.99 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.819 -175.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 31.4 tpp -79.66 22.41 0.47 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.489 0.661 . . . . 0.0 110.596 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 39.6 mm -108.27 -73.96 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.773 178.102 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.426 ' HB3' ' OD2' ' A' ' 48' ' ' ASP . 13.9 m -107.49 -13.53 15.06 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.136 0.493 . . . . 0.0 110.986 -174.494 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.58 ' HB3' ' O ' ' A' ' 39' ' ' ASP . 40.6 t80 -85.8 -18.86 31.76 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.507 -178.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 64.0 pttt -72.89 -179.93 3.41 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.376 0.608 . . . . 0.0 111.981 -174.39 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -70.15 -10.69 59.6 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.495 -0.775 . . . . 0.0 112.949 -169.139 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -57.06 -22.32 38.18 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.375 0.607 . . . . 0.0 110.121 177.205 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 106.38 -37.41 3.83 Favored Glycine 0 N--CA 1.446 -0.695 0 CA-C-O 118.548 -1.14 . . . . 0.0 114.09 168.108 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.426 ' OD2' ' HB3' ' A' ' 42' ' ' SER . 29.0 t70 23.34 -84.62 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 124.533 1.133 . . . . 0.0 113.914 -177.224 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.439 HG21 ' O ' ' A' ' 2' ' ' ALA . 2.7 m -61.55 94.06 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 CA-C-O 121.195 0.522 . . . . 0.0 110.989 176.475 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -125.2 106.6 10.01 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.493 -176.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 10.1 m -120.04 137.5 53.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.124 0.488 . . . . 0.0 111.583 -177.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -93.98 114.46 26.65 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.366 176.349 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.546 HG21 ' CD1' ' A' ' 5' ' ' TYR . 14.8 t -125.64 172.93 9.35 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 120.955 0.407 . . . . 0.0 110.666 -175.84 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.477 HG13 ' HD3' ' A' ' 8' ' ' ARG . 6.7 mt -85.43 112.78 22.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.024 178.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.457 ' HB3' ' HB2' ' A' ' 7' ' ' CYS . 7.4 p -77.8 177.67 7.99 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 174.056 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -66.1 -31.38 72.21 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 118.639 0.654 . . . . 0.0 110.769 179.483 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -70.75 -36.38 73.11 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 176.063 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.412 ' SG ' ' O ' ' A' ' 8' ' ' ARG . 54.0 m -60.69 -51.22 70.28 Favored 'General case' 0 C--O 1.226 -0.147 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 172.061 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 22.6 tp60 -50.86 -35.3 31.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.367 -1.288 . . . . 0.0 111.422 176.312 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -76.45 -41.03 48.85 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.28 -179.037 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.6 -31.08 70.26 Favored 'General case' 0 CA--C 1.508 -0.653 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 175.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.2 mp -69.99 -60.02 2.56 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 113.58 -1.646 . . . . 0.0 111.26 177.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -60.29 -42.01 94.56 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 113.97 -1.468 . . . . 0.0 112.199 -178.397 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 30.0 tpt180 -69.85 -63.66 1.03 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.878 0.371 . . . . 0.0 110.876 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.419 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 88.3 m-20 -105.84 119.15 53.36 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.095 -176.592 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 65' ' ' ASN . 15.6 Cg_exo -68.04 57.01 0.83 Allowed 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 123.207 2.605 . . . . 0.0 113.592 -177.496 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 28.8 m-70 -125.84 87.89 2.76 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 175.093 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 24.3 p90 -144.15 179.98 6.88 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.071 -0.968 . . . . 0.0 108.999 -175.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 13.3 m-70 -80.11 78.46 6.75 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.017 0.437 . . . . 0.0 110.482 178.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -64.57 111.75 2.86 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.831 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 37.8 p90 -78.0 -28.64 49.25 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.322 -179.455 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 27.0 t-80 -162.26 102.1 1.1 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.258 -179.371 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 32.8 m . . . . . 0 C--O 1.251 1.146 0 CA-C-O 118.86 -0.59 . . . . 0.0 109.857 177.215 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 . . . . . 0 N--CA 1.479 1.022 0 CA-C-O 120.699 0.285 . . . . 0.0 110.82 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 24.3 m -153.93 34.64 0.44 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.001 0.429 . . . . 0.0 110.882 -178.655 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.1 ttm -103.26 161.76 13.55 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 175.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.418 ' O ' ' HA ' ' A' ' 48' ' ' ASP . . . 73.86 -60.05 0.54 Allowed 'General case' 0 N--CA 1.471 0.583 0 O-C-N 123.98 0.8 . . . . 0.0 110.898 -175.632 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.494 HD12 ' N ' ' A' ' 3' ' ' LEU . 1.1 mp -96.69 157.32 15.96 Favored 'General case' 0 C--N 1.312 -1.023 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 173.47 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.519 ' O ' ' HB ' ' A' ' 51' ' ' VAL . 83.2 m-70 -111.74 130.84 55.66 Favored 'General case' 0 C--N 1.309 -1.178 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.111 -173.809 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.59 ' CD2' HG21 ' A' ' 53' ' ' THR . 3.8 m-85 -101.56 106.21 17.26 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.28 -172.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -116.19 137.29 52.26 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 115.1 -0.954 . . . . 0.0 108.931 172.039 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.483 ' HA ' ' O ' ' A' ' 53' ' ' THR . 1.4 t -73.44 128.42 35.45 Favored 'General case' 0 C--N 1.309 -1.176 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.08 -177.214 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -78.83 120.57 23.64 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.052 164.286 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 47.4 t-80 103.24 -64.13 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 125.25 1.42 . . . . 0.0 112.384 175.219 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -81.2 -18.02 47.6 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 119.915 -0.714 . . . . 0.0 110.463 -174.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 75.81 18.66 79.5 Favored Glycine 0 C--N 1.34 0.783 0 C-N-CA 120.834 -0.698 . . . . 0.0 113.631 172.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.6 p -93.82 142.84 12.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 121.522 0.677 . . . . 0.0 112.047 179.207 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 32.8 mtmm -81.84 112.48 19.01 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.213 179.104 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -89.83 -16.78 8.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -171.36 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -100.6 -56.06 0.93 Allowed Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.086 -1.054 . . . . 0.0 111.945 -177.121 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 68.3 m -99.9 117.66 34.67 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 120.944 0.402 . . . . 0.0 110.687 178.414 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -109.87 -13.67 14.41 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.797 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -81.75 133.87 35.39 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.293 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 69.4 m -114.61 -15.17 12.01 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.697 172.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.3 m -67.35 -64.17 0.91 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.986 0.422 . . . . 0.0 110.495 178.653 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 62.2 mtt -108.75 88.68 2.79 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 175.409 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.6 p -124.59 7.69 4.65 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.936 0 CA-C-N 115.087 -0.961 . . . . 0.0 111.13 -172.192 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 32.8 t -67.13 -20.75 65.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.166 0.507 . . . . 0.0 110.357 178.445 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 10.2 t -79.68 -8.24 59.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.669 178.441 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -97.62 -15.76 20.31 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-O 121.906 0.86 . . . . 0.0 108.723 -176.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.3 t -158.71 99.48 1.56 Allowed 'General case' 0 N--CA 1.44 -0.961 0 CA-C-N 114.459 -1.246 . . . . 0.0 111.008 -172.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.563 ' HB3' ' CE1' ' A' ' 29' ' ' PHE . 36.2 mt 67.71 94.29 0.07 Allowed 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.916 0.865 . . . . 0.0 111.738 177.527 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -110.67 74.97 0.21 Allowed Glycine 0 C--N 1.312 -0.76 0 CA-C-N 114.568 -1.196 . . . . 0.0 111.733 -178.572 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.563 ' CE1' ' HB3' ' A' ' 27' ' ' LEU . 47.8 m-85 -86.43 -165.29 1.22 Allowed 'General case' 0 N--CA 1.442 -0.857 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -131.34 -67.53 0.69 Allowed 'General case' 0 C--N 1.311 -1.08 0 CA-C-O 121.558 0.694 . . . . 0.0 109.341 177.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 50.7 t-80 -96.79 94.82 7.48 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 114.843 -1.071 . . . . 0.0 109.844 177.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.503 ' HA ' ' HB2' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -148.0 148.81 31.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 122.587 1.184 . . . . 0.0 113.761 178.592 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.8 t -143.69 -160.79 1.16 Allowed 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 112.763 -2.017 . . . . 0.0 106.52 171.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -50.51 -47.2 57.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 118.446 0.566 . . . . 0.0 111.604 -178.089 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -70.7 -39.61 73.34 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.933 -176.616 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.503 ' HB2' ' HA ' ' A' ' 32' ' ' LEU . 5.7 mm-40 -75.75 -28.99 58.7 Favored 'General case' 0 C--O 1.223 -0.338 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 -176.542 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 53.8 ttp180 -56.54 -45.62 81.08 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.886 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.478 ' O ' HG22 ' A' ' 41' ' ' ILE . 57.9 t30 -79.24 -38.31 35.91 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.394 179.508 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -76.61 -40.84 48.12 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.087 0.402 . . . . 0.0 112.087 -173.648 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 87.7 mmm -79.38 -27.5 41.91 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 111.851 0.315 . . . . 0.0 111.851 -175.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.478 HG22 ' O ' ' A' ' 38' ' ' ASN . 9.8 tt -62.47 134.22 27.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 121.562 0.696 . . . . 0.0 110.405 -177.836 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.7 p -165.89 58.39 0.11 Allowed 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 115.059 -0.973 . . . . 0.0 108.412 179.045 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 30.6 t80 75.18 172.03 0.27 Allowed 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 114.753 -1.112 . . . . 0.0 109.043 -172.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.59 ' HB3' ' OD1' ' A' ' 48' ' ' ASP . 0.9 OUTLIER -73.14 131.97 42.68 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.153 0.502 . . . . 0.0 110.377 179.865 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -60.58 -24.66 65.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.019 -0.991 . . . . 0.0 113.384 -167.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.441 ' HB2' ' OD1' ' A' ' 48' ' ' ASP . 34.5 m-80 -88.28 0.67 55.87 Favored 'General case' 0 C--N 1.321 -0.64 0 O-C-N 122.126 -0.359 . . . . 0.0 111.963 -170.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.31 27.45 67.98 Favored Glycine 0 N--CA 1.451 -0.366 0 N-CA-C 109.893 -1.283 . . . . 0.0 109.893 -172.622 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.59 ' OD1' ' HB3' ' A' ' 44' ' ' LYS . 3.2 m-20 -49.79 158.03 0.52 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 114.107 -1.047 . . . . 0.0 112.751 -174.522 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.482 ' CG2' ' HG ' ' A' ' 3' ' ' LEU . 4.0 t -125.27 111.03 26.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.17 -179.326 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 12.9 t60 -73.74 114.75 12.37 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 177.655 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.519 ' HB ' ' O ' ' A' ' 4' ' ' HIS . 14.5 t -127.91 126.2 66.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.791 -168.261 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.1 mt -95.42 109.3 21.5 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 173.395 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.59 HG21 ' CD2' ' A' ' 5' ' ' TYR . 8.2 t -123.22 160.21 27.06 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.157 -174.342 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.45 HD13 HD11 ' A' ' 62' ' ' LEU . 1.5 mt -86.62 113.89 25.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-O 121.593 0.711 . . . . 0.0 109.875 179.04 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 5.3 p -78.84 164.09 24.77 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 114.896 -1.047 . . . . 0.0 108.783 177.209 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.45 ' HA ' ' HB3' ' A' ' 59' ' ' GLN . 31.7 tt0 -50.2 -37.05 33.3 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -173.579 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -58.95 -49.45 77.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.522 0.201 . . . . 0.0 111.526 -178.454 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -74.52 -34.09 62.93 Favored 'General case' 0 C--O 1.218 -0.598 0 C-N-CA 120.435 -0.506 . . . . 0.0 109.723 178.57 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.755 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 24.2 tp60 -56.25 -35.54 67.51 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 122.982 0.513 . . . . 0.0 112.299 173.062 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -78.2 -39.9 39.2 Favored 'General case' 0 C--N 1.315 -0.901 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.756 176.516 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -52.93 -31.36 39.72 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 122.308 1.051 . . . . 0.0 109.082 168.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.755 ' HB2' ' O ' ' A' ' 59' ' ' GLN . 0.2 OUTLIER -71.19 -60.82 2.02 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 113.424 -1.716 . . . . 0.0 111.36 -179.759 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -69.92 -37.73 76.03 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.62 -1.173 . . . . 0.0 111.59 -173.089 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.477 ' HG3' ' O ' ' A' ' 66' ' ' PRO . 31.2 tpt180 -123.13 83.31 2.11 Favored 'General case' 0 N--CA 1.437 -1.116 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.721 -177.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.423 ' HB2' ' HD3' ' A' ' 66' ' ' PRO . 5.3 m-20 -59.3 -47.53 97.99 Favored Pre-proline 0 CA--C 1.535 0.388 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.347 174.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.477 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 38.7 Cg_exo -59.33 140.69 95.66 Favored 'Trans proline' 0 C--N 1.357 1.009 0 C-N-CA 121.889 1.726 . . . . 0.0 111.611 173.39 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.433 ' HB2' ' O ' ' A' ' 66' ' ' PRO . 21.1 m-70 71.45 10.74 6.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.602 -177.803 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -127.16 135.81 51.21 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 171.192 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 15.5 m-70 -77.5 98.4 5.32 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.837 177.326 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -82.48 159.25 22.93 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.986 -175.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 43.3 m-85 -139.12 170.87 15.18 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.344 -0.843 . . . . 0.0 109.82 178.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 51.3 t60 -77.23 62.66 2.33 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.234 0.54 . . . . 0.0 110.315 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.8 t . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.245 -0.883 . . . . 0.0 109.893 179.141 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 . . . . . 0 N--CA 1.481 1.098 0 N-CA-C 110.67 -0.122 . . . . 0.0 110.67 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 61.9 m 57.95 58.02 3.82 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.359 0.6 . . . . 0.0 110.962 -178.713 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 85.0 mmm -110.71 147.29 34.68 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.623 178.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.573 ' O ' HG21 ' A' ' 49' ' ' VAL . . . -152.97 -72.05 0.14 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.829 179.639 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.481 ' HA ' ' HB ' ' A' ' 49' ' ' VAL . 5.7 mp -122.55 156.9 33.24 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.19 -0.671 . . . . 0.0 109.19 176.657 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.469 ' HB2' ' O ' ' A' ' 49' ' ' VAL . 27.2 m170 -111.41 121.63 45.72 Favored 'General case' 0 CA--C 1.5 -0.966 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 -173.785 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.714 ' HB2' ' N ' ' A' ' 15' ' ' GLY . 3.0 m-30 -99.53 128.73 45.65 Favored 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.124 -177.196 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.488 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 78.6 m-85 -130.29 124.28 32.0 Favored 'General case' 0 C--N 1.313 -0.99 0 N-CA-C 107.518 -1.29 . . . . 0.0 107.518 174.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.644 ' HB3' ' HB2' ' A' ' 10' ' ' CYS . 42.4 t -73.28 142.94 47.18 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 113.653 0.983 . . . . 0.0 113.653 -164.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.477 ' O ' ' HB3' ' A' ' 9' ' ' HIS . 16.9 ttp85 -58.18 114.86 2.58 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 113.654 -1.612 . . . . 0.0 109.627 167.64 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.477 ' HB3' ' O ' ' A' ' 8' ' ' ARG . 16.2 t-80 84.0 -27.43 0.1 Allowed 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.789 0.835 . . . . 0.0 112.283 172.49 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.659 ' HB2' HG12 ' A' ' 12' ' ' VAL . 60.7 m -94.44 -32.91 13.33 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.254 0.55 . . . . 0.0 110.901 178.198 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 73.07 0.73 53.79 Favored Glycine 0 N--CA 1.446 -0.688 0 CA-C-N 115.498 -0.774 . . . . 0.0 112.053 -173.492 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.659 HG12 ' HB2' ' A' ' 10' ' ' CYS . 3.2 p -69.2 136.69 25.78 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 CA-C-O 121.456 0.646 . . . . 0.0 112.091 -174.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.525 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 50.9 mttm -75.79 95.12 3.4 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.682 -1.145 . . . . 0.0 110.035 -177.277 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -81.46 -12.91 12.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.522 -177.684 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.714 ' N ' ' HB2' ' A' ' 5' ' ' TYR . . . -135.3 45.56 1.09 Allowed Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.932 -0.651 . . . . 0.0 111.73 -176.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.412 ' HB3' ' HB3' ' A' ' 13' ' ' LYS . 22.0 t -164.84 87.3 0.44 Allowed 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 178.839 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.49 HD23 ' H ' ' A' ' 17' ' ' LEU . 1.2 pt? -114.14 -21.19 10.63 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.608 -177.597 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -84.2 42.85 0.9 Allowed 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.232 177.312 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.443 ' HA ' ' O ' ' A' ' 22' ' ' VAL . 42.5 m -102.62 -2.54 28.18 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.58 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.2 m -55.16 -58.45 7.64 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 114.515 -1.221 . . . . 0.0 112.546 -175.159 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 25.8 ptm -100.3 -14.86 18.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.078 0.466 . . . . 0.0 110.464 -177.32 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.443 ' O ' ' HA ' ' A' ' 19' ' ' SER . 6.0 p -133.81 104.65 6.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 121.454 0.645 . . . . 0.0 110.624 -178.587 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 41.1 m -60.91 119.64 8.63 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.136 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.3 m -81.75 21.05 0.87 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.855 0.836 . . . . 0.0 110.606 -175.505 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -92.24 -16.02 26.72 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.19 -0.914 . . . . 0.0 108.708 176.697 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 42.6 t -58.69 140.16 55.09 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 114.393 -1.276 . . . . 0.0 111.126 -179.024 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.423 ' H ' HD11 ' A' ' 32' ' ' LEU . 7.1 mp -73.29 164.54 26.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.095 177.83 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -78.44 59.82 4.03 Favored Glycine 0 N--CA 1.454 -0.159 0 C-N-CA 121.086 -0.578 . . . . 0.0 113.426 -174.002 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.463 ' HB2' HD22 ' A' ' 32' ' ' LEU . 17.7 m-85 -117.72 -126.5 0.28 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 176.006 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 -125.67 -84.36 0.63 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.666 0.27 . . . . 0.0 110.336 176.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 12.6 t60 -123.7 88.27 2.88 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 178.667 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.463 HD22 ' HB2' ' A' ' 29' ' ' PHE . 0.4 OUTLIER -101.49 163.57 12.2 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.521 0.677 . . . . 0.0 111.352 -174.917 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 41.4 p -132.88 -169.4 2.25 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 114.596 -1.184 . . . . 0.0 109.113 178.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 10.4 p30 -58.63 -26.73 64.02 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.214 0.531 . . . . 0.0 109.866 173.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -76.34 -54.67 6.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.436 -178.495 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.417 ' HB2' ' HB2' ' A' ' 32' ' ' LEU . 11.5 mm-40 -65.7 -32.21 73.64 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.153 -0.93 . . . . 0.0 111.589 -172.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.429 ' O ' ' HB ' ' A' ' 41' ' ' ILE . 14.0 ptm180 -73.16 -24.5 60.58 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-O 121.08 0.467 . . . . 0.0 110.665 179.419 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -74.22 -52.2 13.1 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.428 -178.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -78.54 -30.36 46.91 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.041 -175.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 24.6 mmt -103.52 22.59 14.02 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 121.22 -0.192 . . . . 0.0 111.374 -179.371 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.429 ' HB ' ' O ' ' A' ' 37' ' ' ARG . 11.3 tp -60.85 119.98 5.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.904 0.859 . . . . 0.0 110.72 -177.303 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 18.2 t -161.69 23.88 0.12 Allowed 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.16 -0.927 . . . . 0.0 108.51 177.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 10.5 t80 58.8 -94.64 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.3 -1.318 . . . . 0.0 111.251 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.41 ' CG ' ' HB2' ' A' ' 48' ' ' ASP . 20.5 mmtm -141.2 127.75 20.11 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 175.667 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -68.82 -14.63 63.15 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.933 0.396 . . . . 0.0 111.365 -179.491 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -93.02 0.75 57.45 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.726 178.4 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.56 -11.12 71.07 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.006 -177.326 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.41 ' HB2' ' CG ' ' A' ' 44' ' ' LYS . 38.8 t70 69.1 153.28 0.1 Allowed 'General case' 0 N--CA 1.463 0.207 0 C-N-CA 123.999 0.92 . . . . 0.0 111.377 -179.584 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.573 HG21 ' O ' ' A' ' 2' ' ' ALA . 2.1 m -113.63 89.49 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.938 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 175.019 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -110.83 97.68 7.02 Favored 'General case' 0 C--N 1.319 -0.717 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.453 ' HB ' ' O ' ' A' ' 4' ' ' HIS . 71.8 t -113.86 120.49 63.83 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.262 0 CA-C-N 114.856 -1.065 . . . . 0.0 111.257 -167.289 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.488 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 57.7 mt -95.96 130.87 42.82 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 176.447 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.507 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 13.8 t -155.29 -176.23 5.84 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 -177.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.403 HG23 ' HB2' ' A' ' 58' ' ' CYS . 0.6 OUTLIER -95.01 127.76 46.72 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-O 121.106 0.479 . . . . 0.0 111.073 -178.342 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.685 ' SG ' ' HB3' ' A' ' 57' ' ' ASP . 18.8 p -74.19 164.5 26.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.904 176.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.424 ' HA ' ' HB3' ' A' ' 59' ' ' GLN . 35.3 tt0 -54.94 -38.78 68.13 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.794 0.33 . . . . 0.0 110.389 178.738 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.685 ' HB3' ' SG ' ' A' ' 55' ' ' CYS . 14.5 t70 -55.89 -49.8 72.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 176.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.403 ' HB2' HG23 ' A' ' 54' ' ' ILE . 57.7 m -66.25 -43.96 85.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.12 0.486 . . . . 0.0 110.626 176.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.424 ' HB3' ' HA ' ' A' ' 56' ' ' GLU . 50.7 tp60 -50.98 -35.71 35.25 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.033 -0.985 . . . . 0.0 111.37 175.637 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -73.94 -39.84 63.49 Favored 'General case' 0 N--CA 1.438 -1.066 0 CA-C-N 116.051 -0.522 . . . . 0.0 112.015 -179.275 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.469 ' O ' ' HD2' ' A' ' 66' ' ' PRO . . . -65.06 -32.86 74.79 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 122.147 0.975 . . . . 0.0 108.454 176.067 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.3 mp -62.39 -59.7 4.61 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-N 113.444 -1.707 . . . . 0.0 111.691 178.383 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -66.01 -15.57 63.14 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 114.382 -1.281 . . . . 0.0 111.294 179.355 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 53.4 ttp180 -72.49 -73.93 0.18 Allowed 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -176.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.455 ' HB2' ' HD3' ' A' ' 66' ' ' PRO . 94.9 m-20 -123.26 -60.95 0.03 OUTLIER Pre-proline 0 CA--C 1.536 0.418 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 -173.009 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.469 ' HD2' ' O ' ' A' ' 61' ' ' ALA . 44.5 Cg_endo -83.34 -150.82 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 C-N-CA 121.385 1.39 . . . . 0.0 112.281 -172.137 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -152.2 114.88 4.58 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.284 0.564 . . . . 0.0 111.317 -175.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -111.55 -51.08 2.88 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 174.197 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 63.1 t60 -94.41 104.2 16.18 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 114.651 -1.159 . . . . 0.0 108.919 178.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.507 ' HB3' ' CE1' ' A' ' 72' ' ' HIS . 23.7 mm-40 -72.46 84.17 1.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.113 -176.088 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -82.16 -32.89 29.79 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.603 177.69 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.507 ' CE1' ' HB3' ' A' ' 70' ' ' GLU . 30.7 m170 51.96 87.17 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.242 0 O-C-N 123.667 0.604 . . . . 0.0 111.744 178.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.6 t . . . . . 0 C--O 1.247 0.969 0 CA-C-O 118.422 -0.799 . . . . 0.0 109.918 178.394 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 . . . . . 0 N--CA 1.478 0.957 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 20.4 m -78.64 -76.32 0.2 Allowed 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 121.045 -0.262 . . . . 0.0 110.611 -179.053 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.5 mtt -144.53 165.06 29.06 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 177.647 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -72.56 -51.95 17.65 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.28 0.562 . . . . 0.0 110.735 -179.244 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.423 ' HA ' ' CB ' ' A' ' 49' ' ' VAL . 6.5 mp -129.99 155.4 46.16 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.453 179.655 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.61 ' HB2' ' O ' ' A' ' 49' ' ' VAL . 42.1 m170 -101.52 125.75 48.22 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.039 178.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.706 ' HB2' ' N ' ' A' ' 15' ' ' GLY . 10.0 m-30 -91.9 133.63 35.5 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.178 -177.245 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.586 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 89.2 m-85 -133.38 126.2 30.79 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 173.296 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.678 ' HB3' ' HB2' ' A' ' 10' ' ' CYS . 9.9 t -75.11 139.81 43.0 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 114.063 1.134 . . . . 0.0 114.063 -166.228 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.53 117.97 8.14 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 113.116 -1.856 . . . . 0.0 109.634 169.171 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 24.4 t-80 80.59 6.16 1.54 Allowed 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 115.327 -0.852 . . . . 0.0 111.19 171.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.678 ' HB2' ' HB3' ' A' ' 7' ' ' CYS . 61.0 m -129.08 -38.56 1.61 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.944 0.402 . . . . 0.0 111.378 177.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 80.66 -1.67 82.02 Favored Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.787 -0.72 . . . . 0.0 111.999 -175.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.59 HG12 ' CB ' ' A' ' 10' ' ' CYS . 1.6 p -71.85 131.37 34.72 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.447 0 CA-C-O 121.392 0.615 . . . . 0.0 112.113 -177.567 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.0 mtpm? -72.36 95.37 1.73 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.703 -1.135 . . . . 0.0 109.437 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -80.06 -12.86 13.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 121.132 0.491 . . . . 0.0 110.46 -176.81 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.706 ' N ' ' HB2' ' A' ' 5' ' ' TYR . . . -133.75 100.53 0.39 Allowed Glycine 0 N--CA 1.442 -0.952 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.375 -179.106 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.424 ' HB3' ' O ' ' A' ' 15' ' ' GLY . 46.9 t 74.81 106.78 0.07 Allowed 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.622 0.725 . . . . 0.0 110.821 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.462 HD23 ' H ' ' A' ' 17' ' ' LEU . 1.4 pt? -114.89 -18.52 11.27 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 175.805 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.405 ' O ' ' HB2' ' A' ' 19' ' ' SER . 45.3 mt-10 -97.65 162.4 13.3 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 114.615 -1.175 . . . . 0.0 109.212 174.656 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.406 ' HA ' ' CG2' ' A' ' 22' ' ' VAL . 74.4 m 70.6 6.95 6.04 Favored 'General case' 0 N--CA 1.466 0.335 0 O-C-N 123.51 0.506 . . . . 0.0 112.128 178.326 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.7 p -68.12 -41.66 81.39 Favored 'General case' 0 C--N 1.315 -0.935 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.933 -176.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 27.1 ptm -119.98 4.31 10.94 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.352 0.596 . . . . 0.0 109.864 -179.162 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.406 ' CG2' ' HA ' ' A' ' 19' ' ' SER . 95.1 t -66.97 -22.53 29.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.068 -0.969 . . . . 0.0 109.89 176.714 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.4 p -63.41 99.68 0.21 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.388 175.532 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.0 t -100.99 9.48 42.2 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.038 -174.104 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -96.44 -58.01 2.17 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 178.502 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.406 ' HA ' ' HG2' ' A' ' 45' ' ' GLU . 26.6 t 56.18 54.47 7.76 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.559 172.768 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 86.2 mt -120.28 -26.35 5.48 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.905 -1.043 . . . . 0.0 110.131 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.458 ' HA2' ' N ' ' A' ' 45' ' ' GLU . . . 80.75 9.03 86.85 Favored Glycine 0 N--CA 1.442 -0.946 0 C-N-CA 120.701 -0.761 . . . . 0.0 111.616 -176.578 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.596 ' CD1' ' HG ' ' A' ' 32' ' ' LEU . 16.0 p90 -164.9 156.34 15.07 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-O 121.275 0.56 . . . . 0.0 111.127 -178.299 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.638 ' HG2' ' OE2' ' A' ' 36' ' ' GLU . 5.1 pt20 -137.58 -31.25 0.8 Allowed 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 174.83 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 17.2 t-160 -136.3 -10.91 1.93 Allowed 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 114.628 -1.169 . . . . 0.0 109.013 172.422 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.645 ' CA ' ' HG2' ' A' ' 36' ' ' GLU . 1.2 mt 90.17 135.58 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 115.635 1.717 . . . . 0.0 115.635 161.642 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.7 t 44.54 -105.48 0.09 Allowed 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 113.338 -1.755 . . . . 0.0 114.37 166.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -54.32 -32.58 56.94 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 118.809 0.732 . . . . 0.0 111.682 -178.363 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -77.01 -51.47 11.04 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.035 176.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.645 ' HG2' ' CA ' ' A' ' 32' ' ' LEU . 14.2 mm-40 -50.78 -52.64 38.92 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.109 -0.95 . . . . 0.0 111.871 177.24 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.478 ' HA ' ' O ' ' A' ' 41' ' ' ILE . 41.7 ttm180 -57.72 -42.08 83.1 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.058 -0.973 . . . . 0.0 111.441 -174.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -78.25 -43.54 27.97 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.232 -177.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -78.69 -61.41 2.02 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -169.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 26.2 ttt -124.59 -46.27 1.89 Allowed 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 113.922 1.082 . . . . 0.0 113.922 -170.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.478 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 13.9 mt -133.94 132.78 56.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 C-N-CA 120.472 -0.491 . . . . 0.0 111.109 -170.54 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.1 p -73.59 4.69 4.63 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.433 -177.142 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -168.29 -147.75 0.07 Allowed 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 -173.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -71.99 -176.36 1.7 Allowed 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 122.31 0.244 . . . . 0.0 111.186 178.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.458 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 16.9 tp10 -46.14 -53.94 9.52 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 -168.515 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -93.67 8.74 39.74 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.932 0.396 . . . . 0.0 111.505 -177.475 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.21 -15.78 15.73 Favored Glycine 0 N--CA 1.449 -0.438 0 CA-C-N 116.106 -0.497 . . . . 0.0 113.542 175.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 31.4 t70 61.98 10.84 3.84 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 121.833 0.825 . . . . 0.0 110.689 -175.212 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.61 ' O ' ' HB2' ' A' ' 4' ' ' HIS . 5.1 m -77.82 94.26 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.963 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.839 -178.405 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -126.32 93.28 3.76 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.36 -178.481 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 12.5 m -110.87 134.52 52.89 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.251 -177.667 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.586 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 85.7 mt -85.57 121.63 28.54 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 175.528 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.505 HG21 ' CD2' ' A' ' 5' ' ' TYR . 14.7 t -142.62 -172.29 3.6 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.455 -175.63 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.536 HD13 HD11 ' A' ' 62' ' ' LEU . 1.1 mp -101.99 127.4 55.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 120.952 0.405 . . . . 0.0 111.751 -175.007 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.517 ' SG ' ' HB3' ' A' ' 57' ' ' ASP . 20.6 p -82.81 176.54 9.23 Favored 'General case' 0 N--CA 1.46 0.048 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.341 176.315 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -59.03 -41.85 88.78 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.111 0.481 . . . . 0.0 110.534 178.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.517 ' HB3' ' SG ' ' A' ' 55' ' ' CYS . 17.4 t70 -59.28 -42.23 90.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.882 178.013 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.506 ' HB2' HG23 ' A' ' 54' ' ' ILE . 64.4 m -74.54 -37.1 63.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.029 179.16 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.76 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 25.3 tm0? -54.83 -30.29 57.02 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.945 177.281 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -70.38 -48.73 54.88 Favored 'General case' 0 N--CA 1.433 -1.316 0 O-C-N 121.897 -0.502 . . . . 0.0 111.916 177.101 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.81 -33.49 61.63 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 122.356 1.074 . . . . 0.0 108.828 172.388 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.76 ' HB2' ' O ' ' A' ' 59' ' ' GLN . 0.2 OUTLIER -63.52 -61.83 2.07 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 113.338 -1.755 . . . . 0.0 112.367 178.02 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -74.54 -47.54 32.22 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.061 -0.972 . . . . 0.0 112.562 -173.019 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 76.4 mtp180 -79.43 -73.3 0.35 Allowed 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -171.242 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -152.01 124.17 3.92 Favored Pre-proline 0 C--N 1.324 -0.506 0 C-N-CA 121.247 -0.181 . . . . 0.0 110.923 -176.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -42.71 -58.23 1.37 Allowed 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 123.453 2.768 . . . . 0.0 113.202 -175.148 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 42.8 m-70 -74.59 92.86 2.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.222 0.534 . . . . 0.0 110.265 177.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 35.2 t80 -122.35 165.41 16.32 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.374 -178.126 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 8.7 p-80 49.71 31.11 4.11 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.166 0.986 . . . . 0.0 112.183 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -139.09 -8.38 1.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.158 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -145.46 139.74 27.07 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 50.0 m80 -76.78 -40.26 48.82 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.19 -176.106 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.7 p . . . . . 0 C--O 1.252 1.188 0 CA-C-O 118.487 -0.768 . . . . 0.0 110.583 178.023 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 . . . . . 0 N--CA 1.482 1.146 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 49.9 m -78.42 -37.18 44.41 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.82 0.343 . . . . 0.0 110.55 178.557 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -85.87 155.5 20.93 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.919 0.39 . . . . 0.0 110.261 176.295 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.43 ' O ' HG21 ' A' ' 49' ' ' VAL . . . -133.29 -13.57 2.68 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.064 179.156 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.51 ' HA ' ' HB ' ' A' ' 49' ' ' VAL . 3.9 mp -118.88 156.7 29.03 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-O 121.158 0.504 . . . . 0.0 110.091 -175.202 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -93.21 126.66 38.44 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.202 178.18 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.686 ' HB2' ' N ' ' A' ' 15' ' ' GLY . 9.3 m-30 -96.42 131.01 43.43 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-N 114.988 -1.006 . . . . 0.0 109.766 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.682 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 96.7 m-85 -129.14 132.23 47.32 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 171.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.474 ' HA ' ' O ' ' A' ' 53' ' ' THR . 13.5 t -84.59 145.96 27.76 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 113.808 1.04 . . . . 0.0 113.808 -167.39 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.503 ' O ' ' HG3' ' A' ' 8' ' ' ARG . 17.5 ptt180 -71.27 123.03 21.32 Favored 'General case' 0 N--CA 1.437 -1.112 0 CA-C-N 113.911 -1.495 . . . . 0.0 108.709 169.159 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 17.7 t60 80.6 -45.5 0.25 Allowed 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.514 -0.766 . . . . 0.0 112.152 170.152 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.565 ' HB2' HG12 ' A' ' 12' ' ' VAL . 33.5 m -69.82 -37.77 76.35 Favored 'General case' 0 N--CA 1.462 0.171 0 N-CA-C 109.001 -0.741 . . . . 0.0 109.001 175.709 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 79.46 14.4 81.44 Favored Glycine 0 C--N 1.335 0.481 0 CA-C-N 115.364 -0.835 . . . . 0.0 112.343 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.565 HG12 ' HB2' ' A' ' 10' ' ' CYS . 0.4 OUTLIER -96.64 138.57 21.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.187 0.517 . . . . 0.0 112.322 -175.516 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.544 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -78.76 95.2 5.27 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.818 176.468 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.565 HG11 ' HA ' ' A' ' 55' ' ' CYS . 0.0 OUTLIER -76.22 -12.84 14.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.787 -177.271 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.686 ' N ' ' HB2' ' A' ' 5' ' ' TYR . . . -103.21 45.32 1.34 Allowed Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.158 -177.054 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.7 m -155.02 81.77 1.07 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.156 0.503 . . . . 0.0 110.121 178.332 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.9 pp -106.69 -15.28 14.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.379 0.609 . . . . 0.0 109.503 -177.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -80.65 130.55 35.17 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.628 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.2 p -133.32 131.16 39.83 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.431 177.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 46.8 t -160.73 -75.77 0.06 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.621 179.343 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 59.2 mtt -116.42 -74.54 0.6 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 177.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.7 t 49.37 62.6 0.22 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.223 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.789 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.1 p -72.48 -21.77 61.17 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.374 -176.552 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.2 t -164.75 144.66 7.32 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.664 -178.159 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -93.79 -15.27 25.3 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.983 0.897 . . . . 0.0 108.79 175.386 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.8 t -99.76 99.82 10.68 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.681 -1.145 . . . . 0.0 110.716 -178.157 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.2 mt -146.83 -80.85 0.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.616 175.534 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 77.1 105.99 0.15 Allowed Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.677 -0.773 . . . . 0.0 111.624 -174.206 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.413 ' HB3' HD22 ' A' ' 32' ' ' LEU . 50.6 m-85 -102.0 175.85 5.4 Favored 'General case' 0 N--CA 1.44 -0.973 0 CA-C-O 121.808 0.813 . . . . 0.0 110.582 -178.186 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.2 pt20 -159.85 -31.09 0.06 Allowed 'General case' 0 C--N 1.307 -1.279 0 CA-C-N 114.162 -1.381 . . . . 0.0 109.516 177.298 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 41.1 t-80 -123.25 87.97 2.84 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.404 -0.817 . . . . 0.0 109.04 177.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.498 ' HB2' ' HB2' ' A' ' 36' ' ' GLU . 0.9 OUTLIER -129.84 179.21 5.98 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 122.176 0.989 . . . . 0.0 112.337 -173.844 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.4 m -132.06 162.67 30.21 Favored 'General case' 0 N--CA 1.441 -0.889 0 CA-C-N 113.558 -1.656 . . . . 0.0 106.945 170.585 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 12.5 p30 -43.55 -38.12 2.8 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 118.433 0.56 . . . . 0.0 112.309 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -67.13 -32.85 74.25 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 -178.209 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.498 ' HB2' ' HB2' ' A' ' 32' ' ' LEU . 8.0 mm-40 -65.71 -34.55 78.45 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-N 118.205 0.457 . . . . 0.0 110.281 -175.681 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.55 ' O ' ' HA ' ' A' ' 41' ' ' ILE . 21.8 ttt180 -71.82 -38.13 70.23 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-N 115.575 -0.738 . . . . 0.0 111.056 -179.365 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -78.28 -38.07 43.49 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.134 -179.682 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -78.35 -57.84 3.57 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.654 -174.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.497 ' O ' ' HB ' ' A' ' 41' ' ' ILE . 88.0 mtp -104.87 -6.57 20.07 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -173.725 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.55 ' HA ' ' O ' ' A' ' 37' ' ' ARG . 1.9 mp 74.98 119.17 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 O-C-N 123.72 0.637 . . . . 0.0 111.102 -178.822 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 67.1 m -95.29 75.57 3.39 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.447 0.641 . . . . 0.0 110.804 178.5 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.401 ' OH ' ' HA2' ' A' ' 47' ' ' GLY . 51.5 t80 -119.11 141.88 48.4 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.912 176.76 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -81.32 137.21 35.78 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.58 -176.187 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -68.83 -11.43 60.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.675 0.75 . . . . 0.0 109.747 173.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -62.78 -20.33 64.88 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.492 -0.777 . . . . 0.0 111.18 178.617 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.401 ' HA2' ' OH ' ' A' ' 43' ' ' TYR . . . 72.67 28.26 67.63 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.247 -0.977 . . . . 0.0 110.853 -176.662 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -50.95 -49.91 59.0 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.0 -0.6 . . . . 0.0 112.539 -170.031 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.51 ' HB ' ' HA ' ' A' ' 3' ' ' LEU . 14.6 m -107.33 92.57 2.13 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.052 0 CA-C-O 121.876 0.846 . . . . 0.0 111.048 178.832 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 10.9 t60 -133.42 102.26 5.46 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.096 -0.956 . . . . 0.0 108.968 -178.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 22.3 m -119.91 142.15 36.81 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.778 -176.333 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.682 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 21.9 mt -101.55 132.27 47.28 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 176.431 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.474 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 15.1 t -152.98 -170.69 3.7 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.427 -174.557 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.454 HG12 ' SG ' ' A' ' 58' ' ' CYS . 0.3 OUTLIER -113.5 138.36 43.41 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 C-N-CA 122.897 0.479 . . . . 0.0 111.022 -174.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.565 ' HA ' HG11 ' A' ' 14' ' ' VAL . 3.2 m -72.6 -170.73 0.71 Allowed 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 123.23 0.612 . . . . 0.0 110.724 -178.449 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -78.72 -29.7 45.49 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 171.23 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.91 -50.48 34.42 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 113.831 -1.531 . . . . 0.0 112.072 -175.022 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.551 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 1.8 p -74.83 -34.8 62.4 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 122.278 -0.264 . . . . 0.0 110.61 -178.436 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.05 -34.72 72.27 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 121.211 0.529 . . . . 0.0 110.067 178.028 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -68.75 -49.22 60.51 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.578 -177.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.33 -29.85 71.09 Favored 'General case' 0 CA--C 1.51 -0.573 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 177.433 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.551 ' HB2' ' O ' ' A' ' 58' ' ' CYS . 0.3 OUTLIER -69.0 -59.11 3.27 Favored 'General case' 0 N--CA 1.432 -1.327 0 CA-C-N 113.758 -1.565 . . . . 0.0 111.609 -179.182 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -69.53 -32.07 70.67 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.995 -1.002 . . . . 0.0 111.353 -176.476 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -72.5 -39.99 67.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.333 176.565 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.515 ' HB2' ' HA ' ' A' ' 70' ' ' GLU . 6.0 p30 36.63 71.25 0.96 Allowed Pre-proline 0 N--CA 1.473 0.692 0 C-N-CA 124.406 1.083 . . . . 0.0 113.781 -176.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.413 ' HD3' ' N ' ' A' ' 65' ' ' ASN . 4.3 Cg_exo -78.32 -60.6 0.03 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.64 0 C-N-CA 123.249 2.632 . . . . 0.0 110.813 173.783 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 14.0 p80 -151.17 39.05 0.66 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 174.391 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -107.76 -64.64 1.19 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.318 -174.422 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -159.54 77.69 0.7 Allowed 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.111 -179.53 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.515 ' HA ' ' HB2' ' A' ' 65' ' ' ASN . 5.8 mp0 -71.06 -64.9 0.82 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.953 -176.512 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -178.53 144.57 0.29 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.741 174.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -98.81 71.17 1.9 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.555 177.255 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 40.3 p . . . . . 0 C--O 1.249 1.069 0 C-N-CA 123.438 0.695 . . . . 0.0 112.465 178.656 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . . 28.6 pt20 . . . . . 0 N--CA 1.478 0.928 0 CA-C-O 120.785 0.326 . . . . 0.0 110.16 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 6.4 p -124.97 76.42 1.53 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.297 0.57 . . . . 0.0 110.662 -176.561 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.6 mtm -92.89 155.77 17.38 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.059 -178.518 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -109.01 -56.66 2.25 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.14 0.495 . . . . 0.0 110.913 -177.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.538 ' CB ' ' HB ' ' A' ' 49' ' ' VAL . 1.9 mp -109.22 158.15 18.11 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.187 178.693 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.591 ' HB3' ' CE1' ' A' ' 6' ' ' TYR . 1.5 m80 -123.07 122.0 37.42 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-O 121.583 0.706 . . . . 0.0 110.326 172.826 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.591 ' HB2' ' N ' ' A' ' 15' ' ' GLY . 7.2 m-85 -98.33 119.59 37.27 Favored 'General case' 0 C--N 1.302 -1.479 0 CA-C-N 114.203 -1.362 . . . . 0.0 109.407 179.042 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.591 ' CE1' ' HB3' ' A' ' 4' ' ' HIS . 93.7 m-85 -126.32 141.72 51.8 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 175.278 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.481 ' HB2' HG13 ' A' ' 12' ' ' VAL . 6.6 t -86.76 128.66 35.03 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 119.438 -0.905 . . . . 0.0 112.889 -172.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.464 ' O ' ' HB3' ' A' ' 9' ' ' HIS . 3.9 ptm180 -57.85 118.32 5.21 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 114.37 -1.287 . . . . 0.0 110.539 170.286 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.464 ' HB3' ' O ' ' A' ' 8' ' ' ARG . 38.2 t-80 88.57 -28.53 0.05 OUTLIER 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.737 169.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.665 ' HB2' HG12 ' A' ' 12' ' ' VAL . 11.2 m -95.53 -32.02 13.05 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.207 0.527 . . . . 0.0 110.728 178.115 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 76.39 6.91 84.71 Favored Glycine 0 N--CA 1.451 -0.362 0 CA-C-N 115.659 -0.7 . . . . 0.0 112.611 -179.563 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.665 HG12 ' HB2' ' A' ' 10' ' ' CYS . 2.0 p -76.53 137.86 21.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.999 0.428 . . . . 0.0 111.404 -177.306 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -82.79 97.51 8.64 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.111 -177.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -76.05 -27.24 17.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.84 -176.695 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.591 ' N ' ' HB2' ' A' ' 5' ' ' TYR . . . -137.28 75.22 0.39 Allowed Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.718 -178.052 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.513 ' H ' HD23 ' A' ' 17' ' ' LEU . 8.6 t -148.52 30.25 0.83 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.77 0.795 . . . . 0.0 109.04 171.566 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.529 ' HG ' ' HG3' ' A' ' 18' ' ' GLU . 2.6 pt? -174.9 -25.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.54 -1.209 . . . . 0.0 109.737 -174.83 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.529 ' HG3' ' HG ' ' A' ' 17' ' ' LEU . 37.2 mt-10 -120.9 -90.22 0.59 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 114.959 -1.019 . . . . 0.0 111.116 179.656 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.5 m -80.09 77.43 6.8 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.33 178.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -127.27 -33.03 2.42 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.24 -173.368 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 21.7 ptp -115.07 6.69 15.26 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.159 0.504 . . . . 0.0 111.083 -174.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.7 p -70.88 109.82 3.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.645 178.147 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 95.2 p 53.86 -170.99 0.05 OUTLIER 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.785 0.834 . . . . 0.0 111.858 -178.112 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 10.5 t -144.63 120.61 10.68 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.475 0.655 . . . . 0.0 110.562 175.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -99.58 -1.83 37.22 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.001 176.379 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.52 ' HB2' ' CG2' ' A' ' 49' ' ' VAL . 42.3 t -68.74 -75.04 0.11 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.922 -1.035 . . . . 0.0 110.862 -176.3 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.0 mp 53.23 85.59 0.05 OUTLIER 'General case' 0 C--O 1.233 0.21 0 O-C-N 123.532 0.52 . . . . 0.0 111.382 -177.314 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -77.78 61.37 3.68 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.895 -0.669 . . . . 0.0 111.464 178.542 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.534 ' HB3' ' HB2' ' A' ' 32' ' ' LEU . 51.1 m-85 -133.07 125.86 30.55 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 -175.146 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 21.3 mm-40 -75.02 -60.08 2.45 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 176.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.401 ' H ' HD12 ' A' ' 32' ' ' LEU . 48.7 m-70 -135.82 49.02 2.16 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.207 0.527 . . . . 0.0 110.619 173.177 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.534 ' HB2' ' HB3' ' A' ' 29' ' ' PHE . 2.6 mp -119.91 -175.34 2.95 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 178.116 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -146.63 -173.63 4.26 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.602 -177.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 20.6 p30 -59.7 -26.57 65.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.387 177.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -68.44 -33.76 74.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.812 0.339 . . . . 0.0 110.362 177.488 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.426 ' HG3' ' HB3' ' A' ' 32' ' ' LEU . 45.6 mm-40 -78.79 -27.34 44.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.023 0.439 . . . . 0.0 110.301 177.239 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.561 ' O ' ' HA ' ' A' ' 41' ' ' ILE . 76.2 ttt180 -61.92 -39.68 92.86 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.15 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -79.0 -25.78 43.33 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.947 0.403 . . . . 0.0 110.664 176.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -75.47 -57.7 3.73 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.882 -176.524 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.416 ' O ' ' HB ' ' A' ' 41' ' ' ILE . 16.2 tpt -115.6 -20.07 10.32 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.182 -176.297 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.561 ' HA ' ' O ' ' A' ' 37' ' ' ARG . 65.2 mt 76.68 -43.63 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 C-N-CA 123.233 0.613 . . . . 0.0 111.34 -178.698 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 39.2 m 73.66 -18.49 0.38 Allowed 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.676 0.791 . . . . 0.0 112.496 173.255 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.409 ' H ' ' C ' ' A' ' 41' ' ' ILE . 66.6 t80 71.22 144.62 0.06 Allowed 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 123.481 0.713 . . . . 0.0 111.285 178.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 49.6 mtpt -72.9 89.98 1.43 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.63 174.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -59.51 -42.13 91.49 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.28 -175.598 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.412 ' C ' ' H ' ' A' ' 48' ' ' ASP . 4.7 m-20 -81.25 -22.69 38.54 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.874 0.369 . . . . 0.0 110.474 179.638 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.38 -34.52 0.96 Allowed Glycine 0 CA--C 1.521 0.446 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.955 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.412 ' H ' ' C ' ' A' ' 46' ' ' ASN . 37.4 m-20 -126.88 164.63 21.0 Favored 'General case' 0 N--CA 1.439 -1.021 0 C-N-CA 122.67 0.388 . . . . 0.0 111.065 -177.801 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.538 ' HB ' ' CB ' ' A' ' 3' ' ' LEU . 25.6 t -119.08 106.66 19.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 165.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 9.2 t-80 -74.82 91.95 2.47 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.581 -175.379 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.472 HG23 ' HA ' ' A' ' 5' ' ' TYR . 2.9 m -115.34 125.26 72.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.17 178.265 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 41.8 mt -110.99 131.72 54.81 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.733 179.332 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.0 t -141.23 172.21 12.99 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 -176.545 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.568 HG23 ' SG ' ' A' ' 58' ' ' CYS . 0.8 OUTLIER -96.67 124.59 49.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.352 0.596 . . . . 0.0 110.544 178.178 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.467 ' SG ' HG11 ' A' ' 12' ' ' VAL . 18.5 p -87.81 -171.96 3.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.258 -0.883 . . . . 0.0 111.341 -179.409 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -59.03 -53.82 54.08 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.71 -177.652 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -51.78 -49.73 62.09 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.697 -173.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.568 ' SG ' HG23 ' A' ' 54' ' ' ILE . 2.2 p -73.75 -48.11 34.17 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 119.57 -0.252 . . . . 0.0 111.084 -175.212 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.595 ' HA ' ' HB2' ' A' ' 62' ' ' LEU . 18.8 tm0? -48.78 -31.97 7.87 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 123.19 0.596 . . . . 0.0 111.605 176.72 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -70.76 -52.55 20.02 Favored 'General case' 0 N--CA 1.441 -0.899 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.872 -178.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.57 -31.55 66.26 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 122.243 1.021 . . . . 0.0 109.648 172.627 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.595 ' HB2' ' HA ' ' A' ' 59' ' ' GLN . 0.7 OUTLIER -64.07 -60.61 3.02 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 113.051 -1.886 . . . . 0.0 110.663 -179.32 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.577 ' OD2' ' HD3' ' A' ' 66' ' ' PRO . 3.8 t70 -58.95 -41.07 86.55 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.405 -1.27 . . . . 0.0 110.436 176.203 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.425 ' O ' ' HG2' ' A' ' 64' ' ' ARG . 50.1 ttp180 70.02 3.58 4.42 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 113.028 0.751 . . . . 0.0 113.028 167.238 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -82.28 -48.87 0.88 Allowed Pre-proline 0 CA--C 1.54 0.568 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -177.424 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.577 ' HD3' ' OD2' ' A' ' 63' ' ' ASP . 14.7 Cg_exo -67.89 -57.61 0.16 Allowed 'Trans proline' 0 C--N 1.358 1.037 0 C-N-CA 121.688 1.592 . . . . 0.0 111.691 -178.568 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 6.1 p80 -168.62 151.49 5.26 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 177.588 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 9.8 p90 -152.67 173.16 15.58 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 178.084 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -76.81 88.04 3.42 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.509 0.671 . . . . 0.0 110.111 176.31 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -66.93 -16.67 64.49 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.915 -1.038 . . . . 0.0 112.027 -178.141 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -97.13 -23.15 16.36 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 120.85 0.357 . . . . 0.0 110.535 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 64.6 t-80 -141.01 78.43 1.65 Allowed 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 -178.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.4 m . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.608 -0.711 . . . . 0.0 111.042 -174.648 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 . . . . . 0 N--CA 1.481 1.091 0 CA-C-O 120.641 0.258 . . . . 0.0 110.358 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 23.0 t -168.6 169.23 10.4 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 -178.537 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.0 ptt? -137.19 150.57 47.99 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.157 0.503 . . . . 0.0 110.546 -177.703 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.483 ' O ' HG21 ' A' ' 49' ' ' VAL . . . -98.66 -62.54 1.23 Allowed 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.45 -179.273 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.47 HD12 ' C ' ' A' ' 2' ' ' ALA . 6.8 mp -125.54 155.26 40.92 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 114.69 -1.141 . . . . 0.0 109.261 178.786 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 44.8 m80 -88.72 121.47 31.13 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 178.446 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.498 ' HB2' ' C ' ' A' ' 14' ' ' VAL . 4.1 m-30 -99.04 116.85 32.21 Favored 'General case' 0 C--N 1.309 -1.157 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.932 -177.529 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.503 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 85.2 m-85 -118.11 128.98 55.26 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-O 121.167 0.508 . . . . 0.0 109.961 175.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.639 ' HB3' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -81.5 116.75 21.44 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.457 0.646 . . . . 0.0 112.615 -168.329 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.02 113.03 0.82 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 113.963 -1.471 . . . . 0.0 111.9 -177.817 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 63.14 23.93 14.16 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 122.196 0.998 . . . . 0.0 109.699 171.232 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.639 ' HB3' ' HB3' ' A' ' 7' ' ' CYS . 37.1 t -128.64 -24.38 3.02 Favored 'General case' 0 N--CA 1.438 -1.045 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.372 -169.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 80.1 4.5 89.74 Favored Glycine 0 C--N 1.333 0.38 0 C-N-CA 120.913 -0.661 . . . . 0.0 114.646 168.091 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.552 HG12 ' SG ' ' A' ' 10' ' ' CYS . 2.0 p -107.51 144.96 15.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 117.277 0.538 . . . . 0.0 110.998 179.705 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.2 mtmm -96.19 110.54 22.81 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.943 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.498 ' C ' ' HB2' ' A' ' 5' ' ' TYR . 0.1 OUTLIER -99.47 12.96 5.49 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.392 -177.633 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.474 ' N ' ' HB2' ' A' ' 5' ' ' TYR . . . -58.59 -46.45 93.23 Favored Glycine 0 N--CA 1.447 -0.625 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.719 178.617 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.6 t 64.51 -174.79 0.17 Allowed 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 121.56 0.695 . . . . 0.0 111.556 173.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -126.74 -3.27 6.59 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.91 -1.041 . . . . 0.0 109.417 178.244 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.454 ' O ' ' HG2' ' A' ' 21' ' ' MET . 6.2 mm-40 -101.57 -3.01 29.2 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 114.724 -1.125 . . . . 0.0 110.337 176.854 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.6 p -62.8 -27.1 69.07 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -173.046 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.3 p -58.58 -25.11 62.22 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -179.319 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.454 ' HG2' ' O ' ' A' ' 18' ' ' GLU . 21.7 ptp -105.17 -15.6 15.02 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-O 121.482 0.658 . . . . 0.0 109.68 -177.238 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 46.4 t -94.44 -28.49 4.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.41 -0.813 . . . . 0.0 110.614 -178.197 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 32.5 t -120.27 105.17 10.68 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 115.089 -0.959 . . . . 0.0 110.378 -178.66 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.6 p -98.66 43.16 1.07 Allowed 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.602 -0.727 . . . . 0.0 109.682 176.403 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -97.55 -65.44 0.96 Allowed 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 114.964 -1.016 . . . . 0.0 108.934 -175.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.1 t 71.84 -48.69 0.68 Allowed 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 115.099 -0.955 . . . . 0.0 112.381 171.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.2 mp -72.81 113.25 9.63 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.862 0.363 . . . . 0.0 110.614 176.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -84.78 48.75 4.11 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.876 -0.678 . . . . 0.0 111.82 178.239 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.507 ' HB3' HD22 ' A' ' 32' ' ' LEU . 68.0 m-85 -130.91 146.12 52.23 Favored 'General case' 0 N--CA 1.441 -0.916 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 -176.735 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -119.88 -38.54 2.95 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.453 -176.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 19.6 t60 -141.99 104.75 4.54 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 178.634 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.51 ' HG ' ' HB2' ' A' ' 36' ' ' GLU . 2.6 pt? -148.03 154.97 40.96 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.82 -173.695 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.468 ' O ' ' HB3' ' A' ' 36' ' ' GLU . 17.4 m -156.51 -76.94 0.09 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.635 0.255 . . . . 0.0 111.576 -177.507 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.424 ' N ' HG22 ' A' ' 33' ' ' THR . 86.9 m-20 -69.0 -28.0 66.2 Favored 'General case' 0 CA--C 1.51 -0.569 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 178.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -72.37 -42.5 65.2 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.086 -1.415 . . . . 0.0 108.744 175.45 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.51 ' HB2' ' HG ' ' A' ' 32' ' ' LEU . 41.6 tt0 -52.99 -33.05 49.65 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 113.685 -1.598 . . . . 0.0 111.702 -179.345 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.423 ' O ' ' HG2' ' A' ' 40' ' ' MET . 99.1 mtt180 -62.34 -36.85 83.51 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.756 0.312 . . . . 0.0 111.131 -179.35 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -81.36 -44.32 17.76 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.157 0.503 . . . . 0.0 110.887 174.555 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -72.77 -11.59 60.67 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 115.762 -0.654 . . . . 0.0 112.607 -173.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.423 ' HG2' ' O ' ' A' ' 37' ' ' ARG . 27.2 ptm -62.94 -16.75 60.39 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -174.83 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.451 ' O ' HG22 ' A' ' 41' ' ' ILE . 21.1 mt -85.26 41.21 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.386 0.612 . . . . 0.0 110.473 -178.475 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 58.6 m 54.94 26.2 7.67 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.143 179.272 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -102.43 145.21 29.88 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.123 -179.431 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.1 pttm -110.62 110.27 20.89 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.066 0.46 . . . . 0.0 110.824 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -54.64 -28.66 48.56 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.528 178.562 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -69.28 -17.32 63.73 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.299 -177.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.96 -35.12 2.94 Favored Glycine 0 N--CA 1.453 -0.226 0 N-CA-C 111.93 -0.468 . . . . 0.0 111.93 -177.531 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -141.57 157.21 45.39 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 177.024 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.483 HG21 ' O ' ' A' ' 2' ' ' ALA . 1.3 m -96.91 97.56 6.5 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 CA-C-O 121.08 0.467 . . . . 0.0 110.853 -176.108 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 11.6 t60 -120.93 114.55 21.71 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.19 -177.331 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.1 m -132.4 144.2 37.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.974 0.416 . . . . 0.0 111.266 -179.188 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.503 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 85.9 mt -105.05 136.98 43.52 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.43 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 14.8 t -148.41 -171.64 3.89 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.723 -0.217 . . . . 0.0 110.761 -176.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.647 HG23 ' SG ' ' A' ' 58' ' ' CYS . 2.0 mt -132.32 113.69 21.9 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 CA-C-O 121.383 0.611 . . . . 0.0 110.964 -178.711 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 22.8 p -73.52 -176.57 2.35 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.499 175.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -59.69 -46.07 90.19 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.633 -176.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -58.78 -49.79 76.37 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 112.392 0.516 . . . . 0.0 112.392 -174.045 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.647 ' SG ' HG23 ' A' ' 54' ' ' ILE . 6.5 p -74.49 -38.59 62.82 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.007 0.432 . . . . 0.0 110.409 -178.39 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -51.95 -34.34 41.62 Favored 'General case' 0 C--O 1.226 -0.17 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.941 170.806 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -69.84 -44.13 70.52 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 -177.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.36 -31.56 72.41 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-O 122.367 1.079 . . . . 0.0 108.895 177.651 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.23 -58.58 4.2 Favored 'General case' 0 N--CA 1.438 -1.029 0 CA-C-N 113.34 -1.755 . . . . 0.0 111.88 178.719 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -59.52 -34.06 72.15 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.559 -1.2 . . . . 0.0 111.767 -177.375 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.553 ' HG3' ' O ' ' A' ' 68' ' ' TYR . 52.4 ttp180 66.69 101.42 0.05 OUTLIER 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.192 0.52 . . . . 0.0 112.171 172.73 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.407 ' HB3' ' CD ' ' A' ' 66' ' ' PRO . 26.0 t-20 -156.23 -60.32 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.541 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.811 176.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.407 ' CD ' ' HB3' ' A' ' 65' ' ' ASN . 61.2 Cg_endo -72.91 -30.05 11.55 Favored 'Trans proline' 0 C--N 1.357 0.998 0 C-N-CA 121.526 1.484 . . . . 0.0 112.473 174.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.406 ' HA ' ' HG2' ' A' ' 70' ' ' GLU . 52.5 p-80 -156.39 -169.92 3.18 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.82 -177.346 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.553 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 68.7 t80 69.0 112.58 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.393 0 O-C-N 124.454 1.097 . . . . 0.0 110.256 -174.214 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.464 ' HA ' ' O ' ' A' ' 73' ' ' THR . 39.9 t-80 53.08 56.14 7.92 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 -176.621 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.406 ' HG2' ' HA ' ' A' ' 67' ' ' HIS . 41.7 mt-10 -61.29 -81.1 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.039 -0.982 . . . . 0.0 111.598 -170.768 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 13.7 p90 -95.35 -35.65 11.69 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.044 0.45 . . . . 0.0 110.086 179.452 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 26.9 m80 -153.64 -51.35 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.453 -0.794 . . . . 0.0 108.909 177.039 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.464 ' O ' ' HA ' ' A' ' 69' ' ' HIS . 1.6 p . . . . . 0 C--O 1.248 0.979 0 CA-C-N 115.206 -0.906 . . . . 0.0 111.191 178.422 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 . . . . . 0 N--CA 1.48 1.028 0 N-CA-C 110.186 -0.301 . . . . 0.0 110.186 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 30.5 t 64.49 -177.66 0.17 Allowed 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.386 -177.238 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.7 mmt -79.95 174.9 11.12 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 178.32 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.448 ' C ' HD12 ' A' ' 3' ' ' LEU . . . -55.46 -60.06 3.95 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.322 0.582 . . . . 0.0 111.148 -178.748 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.448 HD12 ' C ' ' A' ' 2' ' ' ALA . 6.4 mp -132.82 154.4 50.35 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.484 177.688 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 39.1 m80 -88.35 123.05 32.54 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 177.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.715 ' HB2' ' N ' ' A' ' 15' ' ' GLY . 9.5 m-30 -98.42 125.23 43.5 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.281 -178.409 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.609 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 95.1 m-85 -125.44 134.04 52.24 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 108.885 -0.784 . . . . 0.0 108.885 173.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.689 ' HA ' ' O ' ' A' ' 53' ' ' THR . 39.5 t -83.28 144.35 29.78 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 -165.251 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.513 ' CZ ' HD11 ' A' ' 54' ' ' ILE . 32.2 ttp180 -66.45 120.77 13.94 Favored 'General case' 0 N--CA 1.44 -0.959 0 CA-C-N 113.563 -1.653 . . . . 0.0 109.63 171.442 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.484 ' HB3' ' O ' ' A' ' 8' ' ' ARG . 52.2 t60 91.47 -47.78 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 115.245 -0.889 . . . . 0.0 112.196 166.659 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.809 ' SG ' HG12 ' A' ' 12' ' ' VAL . 4.5 p -96.04 -23.06 16.98 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 119.78 -0.768 . . . . 0.0 110.682 -177.256 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 79.0 18.17 75.42 Favored Glycine 0 C--N 1.333 0.371 0 CA-C-N 115.992 -0.549 . . . . 0.0 114.182 173.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.809 HG12 ' SG ' ' A' ' 10' ' ' CYS . 7.0 p -75.39 144.68 11.76 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-N 117.605 0.702 . . . . 0.0 110.966 179.038 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.508 ' HG2' ' CD1' ' A' ' 6' ' ' TYR . 87.5 mttt -84.82 95.48 9.0 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.243 178.265 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -76.01 -22.94 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.961 -173.489 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.715 ' N ' ' HB2' ' A' ' 5' ' ' TYR . . . -137.89 92.74 0.21 Allowed Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.263 -175.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.8 t 73.25 130.54 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.551 0.691 . . . . 0.0 111.31 178.642 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 pp -108.69 -7.36 15.63 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.186 -177.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -80.84 144.23 32.18 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.036 -0.984 . . . . 0.0 111.714 -176.097 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.5 m 64.22 39.02 7.73 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.854 173.141 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.9 m -72.79 -61.67 1.73 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.277 179.725 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 18.0 ptp -121.35 9.5 10.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.705 0.764 . . . . 0.0 109.779 -178.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 58.6 t -58.74 -45.5 91.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 114.563 -1.199 . . . . 0.0 111.19 -179.066 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.455 ' HB3' ' O ' ' A' ' 27' ' ' LEU . 56.6 m -103.61 49.6 0.82 Allowed 'General case' 0 C--N 1.309 -1.171 0 CA-C-N 115.293 -0.867 . . . . 0.0 111.232 -176.455 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.3 t -83.29 -23.04 32.79 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.743 -179.114 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -96.95 -33.6 11.52 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.816 0.817 . . . . 0.0 109.281 -179.233 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.9 t -94.11 -160.22 0.75 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.543 -1.208 . . . . 0.0 110.132 -179.572 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.455 ' O ' ' HB3' ' A' ' 23' ' ' SER . 6.0 mp -92.96 177.93 5.92 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.001 178.263 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -76.16 72.99 1.81 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.946 -0.645 . . . . 0.0 113.176 -175.578 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.431 ' CD2' HD23 ' A' ' 32' ' ' LEU . 79.8 m-85 -137.26 -159.92 1.0 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 175.835 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -123.01 -67.83 0.92 Allowed 'General case' 0 CA--C 1.509 -0.625 0 CA-C-O 121.802 0.811 . . . . 0.0 109.14 179.582 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 50.0 t60 -146.34 76.66 1.45 Allowed 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 113.92 -1.491 . . . . 0.0 108.519 178.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.431 HD23 ' CD2' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -80.29 163.88 23.62 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.594 0.711 . . . . 0.0 111.889 -176.166 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.0 m -113.53 168.69 9.55 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 114.663 -1.153 . . . . 0.0 108.454 178.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 29.2 p-10 -46.6 -43.33 17.23 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 111.983 0.364 . . . . 0.0 111.983 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -63.02 -34.78 78.3 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -178.525 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -78.81 -29.44 44.83 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-O 120.887 0.375 . . . . 0.0 110.203 -178.323 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 36.4 mtm180 -67.46 -44.11 79.4 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 174.686 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -65.84 -30.77 71.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.643 176.614 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -70.39 -46.29 64.29 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.206 -177.195 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.413 ' HG2' ' CZ ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -82.2 -14.29 55.81 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.042 -179.057 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 42.6 mt 70.65 -76.99 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.565 177.628 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 48.8 m -157.26 18.24 0.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.34 0.59 . . . . 0.0 109.682 -179.546 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -121.26 136.75 54.92 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.931 -176.143 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.401 ' HG2' ' HB3' ' A' ' 27' ' ' LEU . 92.3 mttt -71.19 87.11 0.79 Allowed 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 175.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -59.46 -30.96 68.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.911 -175.571 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -64.17 -22.16 66.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.299 0.571 . . . . 0.0 110.419 177.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.37 -4.61 48.46 Favored Glycine 0 N--CA 1.45 -0.394 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.3 -178.584 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 28.3 t70 56.62 82.16 0.12 Allowed 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 122.047 0.927 . . . . 0.0 110.0 -173.52 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.441 ' HB ' ' HA ' ' A' ' 3' ' ' LEU . 5.1 m -75.7 93.74 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.313 -1.013 0 CA-C-N 114.495 -1.229 . . . . 0.0 111.25 -178.055 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -127.71 97.83 4.98 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.287 -0.87 . . . . 0.0 109.12 -177.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 17.6 m -118.05 144.33 26.39 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-O 120.946 0.403 . . . . 0.0 111.28 -175.696 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.609 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 38.3 mt -104.83 132.84 50.58 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.101 179.243 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.689 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 14.1 t -152.79 172.44 16.72 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 -178.164 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.513 HD11 ' CZ ' ' A' ' 8' ' ' ARG . 1.8 mt -90.81 128.77 42.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 120.781 0.324 . . . . 0.0 110.984 -178.313 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 13.8 p -82.68 171.89 13.52 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.303 178.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -56.79 -47.83 79.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 123.278 0.361 . . . . 0.0 110.904 -176.03 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -57.71 -46.05 84.91 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.661 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 98.2 m -70.16 -40.88 74.48 Favored 'General case' 0 C--O 1.216 -0.659 0 C-N-CA 121.02 -0.272 . . . . 0.0 110.925 -179.459 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.815 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 0.2 OUTLIER -55.94 -37.0 68.39 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 121.222 0.534 . . . . 0.0 110.431 174.197 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -75.55 -38.93 58.92 Favored 'General case' 0 N--CA 1.426 -1.648 0 O-C-N 120.785 -1.197 . . . . 0.0 110.694 178.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.579 ' HB1' ' HB2' ' A' ' 68' ' ' TYR . . . -55.88 -31.48 62.85 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 122.527 1.156 . . . . 0.0 109.207 169.67 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.815 ' HB2' ' O ' ' A' ' 59' ' ' GLN . 0.3 OUTLIER -68.62 -59.12 3.36 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 113.582 -1.644 . . . . 0.0 110.955 177.541 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -71.24 -52.24 20.11 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.376 -1.284 . . . . 0.0 113.126 -170.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 75.5 mtt85 -143.84 -24.86 0.56 Allowed 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 -174.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.482 ' O ' ' HA ' ' A' ' 61' ' ' ALA . 80.4 m-20 -82.22 131.54 55.88 Favored Pre-proline 0 C--N 1.319 -0.743 0 CA-C-O 121.178 0.513 . . . . 0.0 111.654 -175.691 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -79.76 -173.09 1.72 Allowed 'Trans proline' 0 N--CA 1.462 -0.36 0 C-N-CA 122.73 2.287 . . . . 0.0 112.89 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 60.1 m-70 64.85 39.5 6.0 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.777 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.579 ' HB2' ' HB1' ' A' ' 61' ' ' ALA . 68.2 t80 -93.45 -41.26 9.9 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.516 0.674 . . . . 0.0 109.404 174.194 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 8.4 p80 -135.51 134.36 39.41 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 114.935 -1.029 . . . . 0.0 108.727 176.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -80.24 77.23 6.99 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.208 0.528 . . . . 0.0 111.313 -173.414 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -98.15 139.07 34.5 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.031 178.046 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 24.4 t-80 -88.0 84.45 6.96 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.088 0.47 . . . . 0.0 110.286 -178.286 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.3 t . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.591 -0.719 . . . . 0.0 109.597 176.852 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 . . . . . 0 N--CA 1.481 1.124 0 N-CA-C 110.859 -0.052 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 12.5 t 63.77 175.89 0.17 Allowed 'General case' 0 C--N 1.341 0.217 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 -174.001 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.3 mtt -97.11 143.78 27.6 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 174.677 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -118.16 -6.91 10.86 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-O 121.316 0.579 . . . . 0.0 110.259 179.73 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.588 HD12 ' N ' ' A' ' 3' ' ' LEU . 0.5 OUTLIER -121.63 156.35 33.16 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 179.843 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 36.5 m170 -101.82 123.25 45.46 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 177.209 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -90.87 122.32 33.48 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.719 -175.238 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.679 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 68.3 m-85 -131.6 138.25 48.74 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 173.746 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.599 ' HB3' ' HB2' ' A' ' 10' ' ' CYS . 34.5 t -77.85 142.93 38.21 Favored 'General case' 0 CA--C 1.503 -0.842 0 CA-C-O 121.554 0.693 . . . . 0.0 112.553 -172.214 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.415 ' O ' ' HB3' ' A' ' 9' ' ' HIS . 35.8 ptt180 -72.25 124.42 25.03 Favored 'General case' 0 N--CA 1.436 -1.129 0 CA-C-N 114.259 -1.337 . . . . 0.0 108.903 169.387 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.415 ' HB3' ' O ' ' A' ' 8' ' ' ARG . 48.8 t-80 88.08 -43.28 0.03 OUTLIER 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 114.089 -1.414 . . . . 0.0 110.885 175.858 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.599 ' HB2' ' HB3' ' A' ' 7' ' ' CYS . 68.0 m -79.08 -43.08 24.88 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.251 0.548 . . . . 0.0 111.089 177.492 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 79.99 9.67 86.44 Favored Glycine 0 N--CA 1.446 -0.654 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.89 -172.317 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.59 HG12 ' HB2' ' A' ' 10' ' ' CYS . 2.9 p -76.56 137.85 21.8 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.492 0 CA-C-O 121.497 0.665 . . . . 0.0 112.382 -176.813 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.477 ' HE3' ' CB ' ' A' ' 16' ' ' SER . 18.7 mtpp -73.31 96.89 2.37 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.593 -1.185 . . . . 0.0 109.585 -179.563 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -82.79 -9.47 11.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.026 0.441 . . . . 0.0 110.366 -176.515 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -166.5 79.78 0.11 Allowed Glycine 0 N--CA 1.442 -0.929 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -177.495 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.477 ' CB ' ' HE3' ' A' ' 13' ' ' LYS . 21.1 m -141.35 90.47 2.31 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-O 121.016 0.436 . . . . 0.0 110.309 -178.302 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -110.68 -17.71 13.32 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 177.12 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -126.56 60.69 1.33 Allowed 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 114.575 -1.193 . . . . 0.0 109.637 176.125 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.4 m -140.29 -22.37 0.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -177.707 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 41.3 t -60.72 -72.23 0.12 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.681 -0.236 . . . . 0.0 111.477 -176.381 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 22.9 mmt -112.03 26.84 10.2 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.168 0.508 . . . . 0.0 111.435 -178.093 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.42 HG13 HG22 ' A' ' 24' ' ' THR . 10.4 p -61.74 136.07 25.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 115.232 -0.895 . . . . 0.0 110.88 -178.756 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.6 m -72.59 99.71 2.6 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.207 -178.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.42 HG22 HG13 ' A' ' 22' ' ' VAL . 7.6 t -158.24 99.45 1.63 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.519 176.586 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -96.67 -29.97 13.51 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.531 -0.758 . . . . 0.0 110.596 -172.713 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.416 ' HB3' ' HB2' ' A' ' 39' ' ' ASP . 22.8 t -92.84 -60.77 1.73 Allowed 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.056 -0.974 . . . . 0.0 110.066 -175.585 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.441 HD13 ' CZ ' ' A' ' 29' ' ' PHE . 2.4 tt 62.91 101.9 0.03 OUTLIER 'General case' 0 C--O 1.233 0.235 0 O-C-N 123.976 0.797 . . . . 0.0 111.485 178.088 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.436 ' HA2' ' HG3' ' A' ' 36' ' ' GLU . . . -68.64 82.39 0.21 Allowed Glycine 0 N--CA 1.446 -0.679 0 CA-C-N 115.486 -0.779 . . . . 0.0 112.25 175.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.483 ' HB2' ' OE1' ' A' ' 36' ' ' GLU . 66.0 m-85 -67.14 -89.39 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.772 0.32 . . . . 0.0 111.387 177.251 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -159.82 -45.98 0.05 Allowed 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 120.759 0.314 . . . . 0.0 111.42 -176.187 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 32.4 t-80 -155.88 58.01 0.6 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.121 0.486 . . . . 0.0 110.376 -177.466 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.56 ' H ' ' CD ' ' A' ' 36' ' ' GLU . 38.2 tp -88.81 -74.43 0.47 Allowed 'General case' 0 N--CA 1.439 -1.007 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.458 -178.335 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.5 p -156.74 -173.29 4.41 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.419 -174.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -67.48 -28.32 67.75 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 174.459 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -56.97 -55.48 34.12 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.835 175.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.56 ' CD ' ' H ' ' A' ' 32' ' ' LEU . 19.1 tt0 -51.76 -44.15 63.23 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.288 -1.324 . . . . 0.0 112.034 -179.423 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -56.65 -36.55 69.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.628 -176.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 44.3 t-20 -65.05 -42.51 94.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.946 0.403 . . . . 0.0 110.274 -178.622 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.416 ' HB2' ' HB3' ' A' ' 26' ' ' SER . 23.1 t70 -76.37 -37.14 57.65 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.021 -178.588 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 49.5 ttm -64.48 -42.36 95.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.09 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.412 HD13 ' HA ' ' A' ' 41' ' ' ILE . 14.6 mm -74.31 152.3 6.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.198 179.529 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 85.1 p 56.99 21.54 6.35 Favored 'General case' 0 C--O 1.233 0.209 0 O-C-N 124.203 0.939 . . . . 0.0 109.369 -167.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 45.2 t80 75.87 146.97 0.09 Allowed 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 114.569 -1.196 . . . . 0.0 111.753 171.453 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.14 86.28 3.0 Favored 'General case' 0 C--O 1.232 0.172 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 177.202 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -67.49 -11.56 58.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.872 -0.604 . . . . 0.0 112.229 -174.539 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.421 ' HB2' ' OD1' ' A' ' 48' ' ' ASP . 0.7 OUTLIER -78.87 -10.69 59.88 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.308 -179.042 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.59 26.63 16.97 Favored Glycine 0 C--N 1.332 0.334 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.115 179.469 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.421 ' OD1' ' HB2' ' A' ' 46' ' ' ASN . 5.0 m-20 -81.61 69.46 8.27 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -172.279 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.452 ' HB ' ' HA ' ' A' ' 3' ' ' LEU . 2.9 t -115.84 94.28 3.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.162 0.506 . . . . 0.0 109.712 172.833 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -83.33 92.25 7.48 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.805 -177.419 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.0 m -102.99 134.92 42.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.099 -178.246 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.679 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 83.8 mt -98.26 108.83 21.63 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.577 177.464 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 15.2 t -125.07 -176.34 3.54 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.718 -173.437 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.412 HD13 ' HG ' ' A' ' 62' ' ' LEU . 40.1 mt -87.87 126.37 41.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.555 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 17.2 p -83.06 167.7 17.61 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 176.287 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -54.08 -42.95 69.9 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.993 0.425 . . . . 0.0 110.612 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -66.27 -35.39 80.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.141 -178.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.445 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 11.5 m -70.02 -54.16 14.41 Favored 'General case' 0 C--O 1.214 -0.779 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.759 177.132 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.697 ' HA ' ' HB2' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -49.06 -33.12 10.85 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.301 0.64 . . . . 0.0 110.726 174.144 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -60.88 -55.62 30.87 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-O 120.868 0.366 . . . . 0.0 110.968 176.039 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.28 -32.32 73.87 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.82 0.819 . . . . 0.0 109.965 174.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.697 ' HB2' ' HA ' ' A' ' 59' ' ' GLN . 0.4 OUTLIER -61.22 -62.53 1.77 Allowed 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 113.896 -1.502 . . . . 0.0 112.277 -173.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -74.9 -38.37 61.86 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.994 -177.01 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 27.4 tpt180 -73.93 -36.59 64.7 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.712 -176.007 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.441 ' N ' ' HD3' ' A' ' 66' ' ' PRO . 51.1 m-80 53.31 64.24 7.21 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.595 -177.073 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.441 ' HD3' ' N ' ' A' ' 65' ' ' ASN . 2.1 Cg_endo -82.39 -74.11 0.01 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.809 0 C-N-CA 122.597 2.198 . . . . 0.0 110.961 177.242 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.419 ' O ' ' N ' ' A' ' 69' ' ' HIS . 45.5 m-70 -126.6 -32.52 2.62 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.652 174.603 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 22.8 p90 55.51 -60.92 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 125.765 1.626 . . . . 0.0 114.799 172.402 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.419 ' N ' ' O ' ' A' ' 67' ' ' HIS . 17.7 t-80 -56.93 -41.11 77.62 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 122.998 0.519 . . . . 0.0 110.804 -179.698 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -143.62 148.17 35.44 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.584 -0.734 . . . . 0.0 109.519 -178.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -80.29 107.0 12.73 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.754 0.312 . . . . 0.0 110.63 -178.218 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 15.7 t60 64.19 101.33 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.374 -0.83 . . . . 0.0 112.017 175.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.5 m . . . . . 0 C--O 1.251 1.139 0 CA-C-O 118.299 -0.858 . . . . 0.0 109.612 174.639 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 . . . . . 0 N--CA 1.482 1.157 0 CA-C-O 120.917 0.389 . . . . 0.0 110.07 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 4.3 p -88.84 155.32 19.61 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 175.578 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -68.3 129.38 39.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.047 0.451 . . . . 0.0 109.975 -178.549 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -120.87 -26.99 5.1 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-N 115.154 -0.93 . . . . 0.0 111.005 -176.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.472 HD12 ' N ' ' A' ' 3' ' ' LEU . 5.5 mp -93.13 144.96 24.77 Favored 'General case' 0 CA--C 1.507 -0.693 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.683 -177.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.466 ' HB3' ' CE2' ' A' ' 6' ' ' TYR . 13.8 m-70 -80.24 123.32 27.84 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.476 -178.283 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.514 ' CD1' HG21 ' A' ' 53' ' ' THR . 2.9 m-30 -96.68 120.16 36.49 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-N 115.038 -0.983 . . . . 0.0 111.011 -175.026 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.551 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 90.3 m-85 -130.74 135.01 47.38 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 173.47 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.658 ' HB3' ' HB2' ' A' ' 10' ' ' CYS . 34.0 t -76.88 140.42 40.57 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 114.082 1.141 . . . . 0.0 114.082 -167.272 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.441 ' HD2' ' HB2' ' A' ' 9' ' ' HIS . 5.6 tmm_? -59.09 115.8 3.41 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 113.309 -1.769 . . . . 0.0 109.348 166.57 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.441 ' HB2' ' HD2' ' A' ' 8' ' ' ARG . 21.9 t-80 85.93 -47.02 0.06 Allowed 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.921 0.888 . . . . 0.0 111.756 173.592 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.658 ' HB2' ' HB3' ' A' ' 7' ' ' CYS . 77.4 m -70.92 -42.56 69.74 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.422 0.63 . . . . 0.0 110.596 177.695 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 78.25 9.65 86.82 Favored Glycine 0 N--CA 1.443 -0.834 0 CA-C-N 115.196 -0.911 . . . . 0.0 111.614 -172.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.619 HG12 ' HB2' ' A' ' 10' ' ' CYS . 2.5 p -75.28 137.75 22.3 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 CA-C-O 121.19 0.519 . . . . 0.0 112.178 -175.581 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.559 ' H ' ' HD2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -70.55 97.09 1.26 Allowed 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 114.79 -1.095 . . . . 0.0 109.933 178.725 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -91.79 2.19 8.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 120.995 0.426 . . . . 0.0 110.734 -179.334 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -91.52 31.99 5.51 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.912 -0.661 . . . . 0.0 111.536 177.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.7 t 69.19 117.48 0.04 OUTLIER 'General case' 0 C--O 1.233 0.21 0 CA-C-O 121.731 0.777 . . . . 0.0 111.479 -177.586 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -102.01 -7.19 22.57 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.631 176.02 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -61.63 142.85 56.89 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.656 -1.157 . . . . 0.0 111.552 -177.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.4 m -65.97 151.17 47.39 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.006 178.576 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.1 t 75.29 -10.85 1.17 Allowed 'General case' 0 N--CA 1.464 0.247 0 O-C-N 123.783 0.677 . . . . 0.0 110.564 -178.005 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 65.2 mtt -105.57 -37.97 6.6 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 175.29 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 69.2 t -71.28 111.86 5.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.135 -0.939 . . . . 0.0 109.15 167.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 25.4 m -92.07 1.11 57.41 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.914 0.387 . . . . 0.0 111.374 -174.66 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.7 m 58.65 43.71 18.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 122.163 0.982 . . . . 0.0 109.442 -176.204 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -93.58 -7.62 43.55 Favored 'General case' 0 CA--C 1.511 -0.557 0 CA-C-N 114.755 -1.111 . . . . 0.0 109.195 -176.617 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.497 ' HA ' ' HB3' ' A' ' 46' ' ' ASN . 43.2 t -70.87 58.31 0.21 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 114.377 -1.283 . . . . 0.0 112.33 -175.021 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 27' ' ' LEU . 28.9 mt -115.49 152.56 32.75 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.265 0.555 . . . . 0.0 110.126 171.293 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 176.92 92.38 0.08 OUTLIER Glycine 0 N--CA 1.436 -1.341 0 N-CA-C 109.94 -1.264 . . . . 0.0 109.94 -178.234 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.506 ' HB3' HD22 ' A' ' 32' ' ' LEU . 4.1 m-85 -70.76 174.64 5.77 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-O 122.13 0.967 . . . . 0.0 110.71 -173.509 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -144.34 -54.31 0.34 Allowed 'General case' 0 C--N 1.304 -1.396 0 CA-C-N 113.824 -1.535 . . . . 0.0 109.336 -169.67 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 75.0 m-70 -112.38 98.56 7.36 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 113.881 -1.509 . . . . 0.0 110.228 -178.031 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.607 ' HB2' ' HB2' ' A' ' 36' ' ' GLU . 0.7 OUTLIER -150.51 151.42 32.65 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.522 -176.852 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.4 p -87.77 -178.5 6.07 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.136 178.702 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 54.2 m-80 -57.19 -34.94 69.0 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.017 0.437 . . . . 0.0 109.914 177.339 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -77.37 -40.75 42.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.979 -0.555 . . . . 0.0 112.172 -176.403 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.607 ' HB2' ' HB2' ' A' ' 32' ' ' LEU . 46.9 mt-10 -70.75 -27.17 63.74 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 179.191 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.538 ' HA ' HD12 ' A' ' 32' ' ' LEU . 42.4 ttm180 -72.07 -31.75 66.4 Favored 'General case' 0 N--CA 1.438 -1.046 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.591 176.178 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -66.86 -44.08 81.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.754 0.311 . . . . 0.0 110.305 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -62.97 -36.38 83.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.158 0.504 . . . . 0.0 110.729 177.135 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 14.9 tpt -94.14 7.28 45.81 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.731 -175.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.507 ' O ' ' HB2' ' A' ' 42' ' ' SER . 51.1 mm 69.16 -70.16 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.558 -175.731 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.507 ' HB2' ' O ' ' A' ' 41' ' ' ILE . 32.4 t 162.06 -31.14 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 123.953 0.901 . . . . 0.0 108.914 179.763 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.534 ' OH ' ' HA2' ' A' ' 47' ' ' GLY . 62.5 t80 -83.12 144.43 29.87 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.938 -1.028 . . . . 0.0 111.091 -174.254 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -79.0 111.44 15.21 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.276 175.246 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -51.82 -29.74 20.52 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 -172.017 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.497 ' HB3' ' HA ' ' A' ' 26' ' ' SER . 8.1 p30 -77.68 -5.64 51.18 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.916 -0.313 . . . . 0.0 111.393 -176.646 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.534 ' HA2' ' OH ' ' A' ' 43' ' ' TYR . . . 87.05 -1.73 86.75 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.238 179.553 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 29.2 t70 54.42 45.92 26.08 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.775 0.798 . . . . 0.0 110.147 -176.488 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.45 ' CG2' ' HA ' ' A' ' 3' ' ' LEU . 2.6 m -115.8 93.49 2.58 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.816 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.31 179.671 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 13.6 t60 -120.88 95.66 4.8 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.372 -177.518 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 12.9 m -109.31 137.74 39.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-O 121.169 0.509 . . . . 0.0 111.765 -175.658 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.551 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 3.1 mm? -96.24 109.03 21.58 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.24 176.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.56 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 13.8 t -123.11 170.46 10.18 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.84 -174.005 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.42 HG23 ' HB2' ' A' ' 58' ' ' CYS . 1.5 mt -87.17 123.39 39.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.035 176.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.463 ' SG ' ' HB3' ' A' ' 57' ' ' ASP . 19.7 p -72.27 165.3 24.72 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.323 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -55.34 -39.77 70.4 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.254 0.55 . . . . 0.0 109.773 179.167 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.463 ' HB3' ' SG ' ' A' ' 55' ' ' CYS . 31.2 t70 -63.36 -38.66 92.03 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.056 179.599 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.718 ' O ' HD23 ' A' ' 62' ' ' LEU . 8.1 m -68.68 -55.75 10.39 Favored 'General case' 0 C--O 1.222 -0.342 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.89 177.422 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.564 ' HA ' ' HB2' ' A' ' 62' ' ' LEU . 4.0 tt0 -49.05 -31.93 8.63 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.245 0.545 . . . . 0.0 111.547 -178.207 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -65.6 -56.04 14.35 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.419 0.628 . . . . 0.0 110.959 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.3 -31.3 67.36 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.435 174.203 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.718 HD23 ' O ' ' A' ' 58' ' ' CYS . 0.8 OUTLIER -62.48 -61.9 2.12 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 113.985 -1.462 . . . . 0.0 112.021 -176.324 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -59.05 -31.91 69.28 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.752 -179.657 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 54.4 ttp180 -67.23 -67.83 0.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.44 177.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -136.06 125.32 15.87 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.354 -175.393 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_exo -56.23 -40.49 84.41 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.919 2.412 . . . . 0.0 111.915 178.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 36.3 m170 -109.24 63.46 0.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.345 176.21 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 54.7 p90 -69.21 -15.35 63.37 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.248 -177.63 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 49.1 t60 -127.12 52.39 1.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.174 0.512 . . . . 0.0 109.811 -176.48 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -83.77 37.37 0.59 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.426 -177.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -66.9 -47.32 72.17 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.266 0.555 . . . . 0.0 109.546 176.389 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 52.0 t60 -141.1 90.61 2.33 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.292 176.555 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.2 t . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.065 -0.969 . . . . 0.0 110.12 -178.988 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . . 27.9 pt20 . . . . . 0 N--CA 1.481 1.102 0 CA-C-O 120.456 0.17 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 38.1 m -141.16 147.65 38.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.753 0.311 . . . . 0.0 110.719 -177.669 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.2 ptt? -105.78 141.35 37.36 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.405 0.622 . . . . 0.0 110.407 176.013 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -97.1 -32.21 12.08 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.29 -178.082 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.43 ' HA ' ' CG2' ' A' ' 49' ' ' VAL . 5.6 mp -135.11 155.03 51.41 Favored 'General case' 0 CA--C 1.503 -0.828 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 175.318 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 67.3 m80 -89.27 124.12 34.11 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.642 -178.159 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.725 ' HB2' ' N ' ' A' ' 15' ' ' GLY . 14.3 m-30 -91.66 137.54 32.28 Favored 'General case' 0 C--N 1.309 -1.192 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.433 177.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.572 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 68.0 m-85 -140.4 122.99 16.21 Favored 'General case' 0 C--N 1.311 -1.108 0 N-CA-C 106.546 -1.65 . . . . 0.0 106.546 175.546 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.6 ' HB3' ' HB2' ' A' ' 10' ' ' CYS . 49.4 t -71.64 130.13 40.41 Favored 'General case' 0 CA--C 1.502 -0.888 0 C-N-CA 119.238 -0.985 . . . . 0.0 112.129 -172.534 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.455 ' NH2' HD11 ' A' ' 62' ' ' LEU . 32.4 ptt180 -55.17 125.94 22.71 Favored 'General case' 0 N--CA 1.438 -1.036 0 CA-C-N 113.744 -1.571 . . . . 0.0 109.691 174.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.436 ' HB3' ' O ' ' A' ' 8' ' ' ARG . 50.5 t-80 79.82 -21.74 0.31 Allowed 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 114.385 -1.279 . . . . 0.0 111.594 175.177 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.6 ' HB2' ' HB3' ' A' ' 7' ' ' CYS . 99.4 m -94.44 -40.34 9.96 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.063 0.459 . . . . 0.0 111.602 178.466 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 81.6 0.07 88.73 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.114 -176.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.45 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 2.2 p -70.34 140.6 18.24 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.542 0 CA-C-O 120.861 0.362 . . . . 0.0 111.462 -177.508 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -81.8 93.84 6.92 Favored 'General case' 0 CA--C 1.501 -0.918 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 -179.286 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.528 HG13 ' HB3' ' A' ' 5' ' ' TYR . 9.7 p -104.74 11.26 8.63 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.446 0 CA-C-N 114.663 -1.153 . . . . 0.0 110.363 -169.541 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.725 ' N ' ' HB2' ' A' ' 5' ' ' TYR . . . -93.89 -20.97 29.52 Favored Glycine 0 CA--C 1.506 -0.527 0 CA-C-N 114.705 -1.134 . . . . 0.0 110.57 171.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.9 p -95.39 70.58 3.15 Favored 'General case' 0 N--CA 1.445 -0.725 0 CA-C-O 121.59 0.709 . . . . 0.0 110.268 177.023 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.609 HD23 ' H ' ' A' ' 17' ' ' LEU . 2.6 pt? -111.92 -24.69 9.82 Favored 'General case' 0 CA--C 1.508 -0.649 0 CA-C-N 115.333 -0.848 . . . . 0.0 109.088 -179.151 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -91.97 -29.16 16.78 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 114.775 -1.102 . . . . 0.0 108.039 171.463 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.7 m -85.46 68.53 10.48 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 114.327 -1.306 . . . . 0.0 108.963 170.38 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.0 m -78.65 -53.24 7.38 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.598 -173.515 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 26.5 ptt? -117.14 7.74 13.1 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.659 0.742 . . . . 0.0 109.012 177.538 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 90.2 t -69.15 116.32 9.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 114.592 -1.185 . . . . 0.0 110.2 178.052 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.6 p -67.03 147.87 52.65 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.117 177.096 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.3 p -75.85 80.29 2.76 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.166 0.507 . . . . 0.0 111.203 -178.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -92.29 -32.93 14.83 Favored 'General case' 0 CA--C 1.508 -0.654 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 177.052 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.8 t -77.66 73.87 4.23 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 114.49 -1.232 . . . . 0.0 109.876 178.041 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 98.3 mt -129.7 167.43 18.03 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.225 176.287 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -80.57 51.71 4.27 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.748 -176.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.591 ' CD2' HD23 ' A' ' 32' ' ' LEU . 45.9 m-85 -128.53 -165.0 1.44 Allowed 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.415 ' HG3' ' N ' ' A' ' 31' ' ' HIS . 10.9 pt20 -105.98 -50.06 3.26 Favored 'General case' 0 C--N 1.316 -0.858 0 C-N-CA 120.187 -0.605 . . . . 0.0 110.309 -176.431 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.415 ' N ' ' HG3' ' A' ' 30' ' ' GLN . 44.8 t-80 -177.31 63.3 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 106.591 -1.633 . . . . 0.0 106.591 -177.799 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.591 HD23 ' CD2' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -59.71 153.08 21.13 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 114.962 -1.017 . . . . 0.0 113.259 -168.284 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.497 ' O ' ' HG3' ' A' ' 37' ' ' ARG . 9.0 t -136.32 -174.81 3.79 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 114.21 -1.359 . . . . 0.0 108.283 -178.796 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -49.9 -34.98 22.02 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 118.059 0.391 . . . . 0.0 111.612 -176.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -72.77 -55.54 6.58 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.153 0.502 . . . . 0.0 111.264 176.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.416 ' O ' ' HB2' ' A' ' 40' ' ' MET . 21.6 tt0 -65.5 -29.58 70.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.905 -175.143 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.497 ' HG3' ' O ' ' A' ' 33' ' ' THR . 17.8 mtm180 -72.02 -33.13 67.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.01 0.434 . . . . 0.0 110.43 177.148 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -78.35 -47.8 16.94 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.468 -179.596 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -73.68 -56.77 4.57 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.648 -178.217 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.497 ' HB3' ' CE1' ' A' ' 29' ' ' PHE . 26.1 mmt -82.12 -11.89 58.5 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.199 -175.201 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 63.9 mt 73.74 134.64 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 O-C-N 123.987 0.805 . . . . 0.0 111.257 179.281 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.414 ' OG ' ' HB3' ' A' ' 37' ' ' ARG . 19.8 m -79.2 48.32 0.86 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.045 0.45 . . . . 0.0 110.935 178.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -158.47 155.9 29.34 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.539 -175.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.411 ' HB3' ' HB2' ' A' ' 48' ' ' ASP . 31.1 mmtp -69.76 104.81 2.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.837 0.351 . . . . 0.0 110.326 178.555 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -70.1 -28.1 65.13 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.264 -173.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -87.34 4.53 42.57 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.203 0.525 . . . . 0.0 110.438 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.25 -35.31 2.98 Favored Glycine 0 N--CA 1.447 -0.568 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.805 -178.018 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.479 ' CG ' ' H ' ' A' ' 49' ' ' VAL . 27.4 t70 53.25 -153.03 0.27 Allowed 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 122.882 0.473 . . . . 0.0 110.478 177.054 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.479 ' H ' ' CG ' ' A' ' 48' ' ' ASP . 2.5 m -77.97 108.39 11.23 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 CA-C-O 121.018 0.437 . . . . 0.0 109.941 175.716 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 49.8 p-80 -136.77 123.99 21.8 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.406 -176.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 15.6 m -128.44 136.14 60.75 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.523 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.572 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 83.0 mt -89.89 115.47 27.23 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.679 178.233 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.423 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 12.2 t -127.86 -171.28 2.4 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.678 -173.538 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.4 mt -102.08 120.82 52.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.873 -178.656 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.518 ' SG ' ' HB3' ' A' ' 57' ' ' ASP . 16.1 p -73.9 165.13 25.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.81 174.813 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -53.27 -41.53 65.63 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.701 0.286 . . . . 0.0 111.253 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.518 ' HB3' ' SG ' ' A' ' 55' ' ' CYS . 16.7 t70 -57.26 -48.87 77.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.058 178.094 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.44 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 69.5 m -67.9 -36.3 79.97 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.195 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 -52.63 -34.82 53.11 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.995 173.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -72.38 -44.67 62.2 Favored 'General case' 0 N--CA 1.439 -1.025 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.805 -179.422 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.36 -32.68 74.45 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 177.517 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.455 HD11 ' NH2' ' A' ' 8' ' ' ARG . 0.5 OUTLIER -63.3 -58.77 6.06 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 113.81 -1.541 . . . . 0.0 111.709 176.574 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -56.84 -31.59 64.91 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 114.512 -1.222 . . . . 0.0 110.93 177.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -72.06 -58.59 3.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.656 177.738 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -127.83 95.71 34.02 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.09 178.598 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -55.56 152.44 33.66 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 123.426 2.75 . . . . 0.0 113.642 -174.44 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 63.1 m-70 64.54 80.51 0.23 Allowed 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.215 -178.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -90.88 75.44 6.42 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 178.626 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 32.1 m170 57.56 55.01 5.94 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.09 -176.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -143.2 139.8 30.45 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.16 -174.104 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -94.9 135.1 36.82 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 177.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 32.0 p-80 -71.82 114.1 9.56 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.17 0.51 . . . . 0.0 110.647 179.498 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 34.6 p . . . . . 0 C--O 1.253 1.238 0 CA-C-O 118.679 -0.676 . . . . 0.0 110.423 -179.259 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . . 25.3 mp0 . . . . . 0 N--CA 1.478 0.968 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 32.8 m -105.68 45.92 0.95 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.406 0.622 . . . . 0.0 110.101 177.72 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.491 ' SD ' HD12 ' A' ' 17' ' ' LEU . 26.2 ptt? -148.93 160.04 43.64 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.351 -0.841 . . . . 0.0 109.297 -178.199 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.442 ' O ' HG21 ' A' ' 49' ' ' VAL . . . -144.0 -72.9 0.27 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.015 0.436 . . . . 0.0 110.819 178.256 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.439 HD12 ' N ' ' A' ' 3' ' ' LEU . 5.7 mp -120.23 155.63 32.81 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.909 179.304 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.505 ' NE2' HD11 ' A' ' 17' ' ' LEU . 9.1 m170 -89.17 122.49 32.51 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 -177.169 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.55 ' HB2' ' N ' ' A' ' 15' ' ' GLY . 3.8 m-30 -90.93 121.44 32.76 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.454 -179.201 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.482 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 64.9 m-85 -127.99 128.45 45.05 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 174.694 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.645 ' HB3' ' HB2' ' A' ' 10' ' ' CYS . 24.6 t -73.44 144.55 46.26 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 -168.069 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 34.7 ttp85 -54.74 112.97 1.14 Allowed 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 113.658 -1.61 . . . . 0.0 109.977 168.17 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 81.91 -46.31 0.19 Allowed 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.078 0.951 . . . . 0.0 111.597 174.425 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.662 ' HB2' HG12 ' A' ' 12' ' ' VAL . 48.9 m -70.72 -35.18 72.59 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.091 0.472 . . . . 0.0 111.441 -178.766 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 75.76 -2.5 54.26 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.961 -0.638 . . . . 0.0 112.159 -175.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.662 HG12 ' HB2' ' A' ' 10' ' ' CYS . 2.5 p -65.17 135.28 28.54 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 CA-C-O 121.448 0.642 . . . . 0.0 112.051 -177.123 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.486 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 54.0 mttp -72.84 98.79 2.51 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 114.403 -1.271 . . . . 0.0 109.71 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -82.33 -3.46 7.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.375 0.607 . . . . 0.0 109.99 -177.659 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.55 ' N ' ' HB2' ' A' ' 5' ' ' TYR . . . -143.73 93.14 0.17 Allowed Glycine 0 N--CA 1.442 -0.926 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.173 179.186 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 43.9 t -79.78 135.31 36.46 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.162 0.506 . . . . 0.0 110.847 -178.77 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.505 HD11 ' NE2' ' A' ' 4' ' ' HIS . 2.1 pt? -146.46 -38.56 0.22 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.007 176.495 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -73.25 -46.93 47.23 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.272 -0.876 . . . . 0.0 109.809 176.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.0 m -67.81 -17.15 64.42 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.377 -0.828 . . . . 0.0 110.598 178.725 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.3 m -96.15 11.45 34.29 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.604 -177.55 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 24.7 ptm -150.1 -35.31 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 121.141 -0.224 . . . . 0.0 111.093 178.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.8 t 62.76 97.55 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.448 -0.55 0 C-N-CA 123.135 0.574 . . . . 0.0 111.764 178.372 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.9 t 75.31 121.8 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 114.683 -1.144 . . . . 0.0 111.004 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 10.8 p -82.08 154.14 25.75 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.751 179.538 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -89.08 -22.42 22.92 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 -178.138 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 43.0 t -59.63 116.41 4.01 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.21 177.405 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 42.3 tp -69.23 -59.72 2.83 Favored 'General case' 0 N--CA 1.432 -1.361 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.428 178.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 61.6 54.91 31.98 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.169 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.42 ' HB2' ' OE2' ' A' ' 36' ' ' GLU . 0.3 OUTLIER -73.17 -83.12 0.05 OUTLIER 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.994 0.426 . . . . 0.0 110.26 179.466 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 172.95 -43.03 0.01 OUTLIER 'General case' 0 N--CA 1.443 -0.779 0 CA-C-N 115.146 -0.934 . . . . 0.0 109.174 -175.164 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 54.2 t60 -171.13 55.0 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.039 -176.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 50.8 tp -59.03 -67.54 0.36 Allowed 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 121.332 0.587 . . . . 0.0 109.946 178.591 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -160.86 -175.66 5.07 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.083 -0.962 . . . . 0.0 109.081 177.365 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -58.79 -30.56 67.67 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.574 0.226 . . . . 0.0 110.874 179.154 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -56.26 -44.14 79.41 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.137 176.425 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.42 ' OE2' ' HB2' ' A' ' 29' ' ' PHE . 29.5 tt0 -72.8 -40.86 65.54 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 120.901 -0.32 . . . . 0.0 110.552 177.811 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.512 ' HA ' ' HA ' ' A' ' 41' ' ' ILE . 32.9 mtm180 -59.22 -40.11 84.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.285 -173.81 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -78.39 -40.51 35.9 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.454 -0.499 . . . . 0.0 111.759 -177.597 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -79.45 -58.12 3.36 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -175.358 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 3.7 mpp? -111.46 -12.84 13.95 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -173.287 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.595 HG23 ' H ' ' A' ' 42' ' ' SER . 9.6 tt 50.37 -72.97 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 124.888 1.275 . . . . 0.0 112.945 -172.202 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.595 ' H ' HG23 ' A' ' 41' ' ' ILE . 45.5 m -157.56 26.08 0.29 Allowed 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 176.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.619 ' OH ' ' HA2' ' A' ' 47' ' ' GLY . 55.2 t80 -123.15 130.5 52.85 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.849 -172.443 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 66.0 mmtt -72.01 133.32 45.24 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.311 177.698 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -67.55 -11.64 58.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.036 0.446 . . . . 0.0 110.63 179.41 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -69.42 -20.83 63.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.319 178.557 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.619 ' HA2' ' OH ' ' A' ' 43' ' ' TYR . . . 92.24 -31.57 5.95 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.939 -0.648 . . . . 0.0 114.095 171.784 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 24.8 t70 51.66 60.39 3.89 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 122.187 0.994 . . . . 0.0 109.094 -170.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.442 HG21 ' O ' ' A' ' 2' ' ' ALA . 0.0 OUTLIER -130.06 117.21 39.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 114.743 -1.117 . . . . 0.0 110.874 -174.428 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 42.3 p-80 -127.19 138.51 53.14 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 178.613 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.492 HG23 ' HA ' ' A' ' 5' ' ' TYR . 1.3 m -133.42 124.73 49.24 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.72 -179.79 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.482 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 3.1 mm? -84.95 109.7 18.35 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.282 177.346 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 14.5 t -133.13 -174.34 3.46 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.366 -177.699 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.416 HG23 ' HB2' ' A' ' 58' ' ' CYS . 1.3 mt -100.29 119.64 48.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.308 -175.797 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.416 ' SG ' ' HB3' ' A' ' 57' ' ' ASP . 19.6 p -68.24 166.14 16.99 Favored 'General case' 0 CA--C 1.522 -0.105 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.842 176.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.424 ' O ' ' HB3' ' A' ' 59' ' ' GLN . 42.6 mt-10 -58.5 -32.67 69.03 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.696 0.284 . . . . 0.0 110.564 -178.277 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.416 ' HB3' ' SG ' ' A' ' 55' ' ' CYS . 23.2 t70 -66.57 -44.72 81.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.727 178.101 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.416 ' HB2' HG23 ' A' ' 54' ' ' ILE . 33.2 m -65.09 -42.0 94.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.029 0.443 . . . . 0.0 110.065 174.661 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.424 ' HB3' ' O ' ' A' ' 56' ' ' GLU . 21.6 tp60 -51.6 -36.18 44.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.784 173.506 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -73.97 -43.96 56.39 Favored 'General case' 0 N--CA 1.434 -1.243 0 CA-C-O 120.902 0.382 . . . . 0.0 111.416 179.036 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.779 ' O ' ' HB3' ' A' ' 65' ' ' ASN . . . -60.98 -29.02 69.43 Favored 'General case' 0 CA--C 1.507 -0.705 0 CA-C-O 122.628 1.204 . . . . 0.0 108.516 177.482 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.404 ' HB2' ' O ' ' A' ' 58' ' ' CYS . 0.5 OUTLIER -75.16 -60.2 2.4 Favored 'General case' 0 N--CA 1.427 -1.6 0 CA-C-N 113.514 -1.675 . . . . 0.0 112.065 -179.384 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -66.17 -42.21 89.25 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 114.733 -1.122 . . . . 0.0 112.552 -173.234 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -132.38 83.95 2.11 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.56 0.695 . . . . 0.0 111.383 -175.237 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.779 ' HB3' ' O ' ' A' ' 61' ' ' ALA . 6.9 p30 -124.51 143.95 44.7 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.036 -177.295 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -76.11 -31.65 4.72 Favored 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 122.478 2.118 . . . . 0.0 112.212 174.353 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 8.3 p80 -174.23 46.11 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.097 0.475 . . . . 0.0 111.491 177.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -84.65 -41.92 15.85 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.947 0.403 . . . . 0.0 110.699 -178.468 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 9.1 p80 -144.85 143.99 30.89 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.663 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -70.89 93.04 0.95 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.158 0.504 . . . . 0.0 111.165 -177.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 7.1 p90 -73.55 -15.09 61.3 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.501 176.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 57.4 t60 -81.1 -20.2 42.0 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.95 176.488 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.8 m . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.946 -0.55 . . . . 0.0 110.266 -177.817 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . . 78.6 mm-40 . . . . . 0 N--CA 1.48 1.053 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 21.2 m -109.8 6.38 23.43 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.505 176.476 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.8 ttp -136.22 144.76 45.05 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-O 121.563 0.697 . . . . 0.0 111.997 -175.591 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.43 ' O ' HG21 ' A' ' 49' ' ' VAL . . . -124.73 -54.34 1.65 Allowed 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 114.354 -1.294 . . . . 0.0 109.112 173.703 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.447 HD12 ' N ' ' A' ' 3' ' ' LEU . 6.3 mp -105.62 152.12 23.51 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 114.967 -1.015 . . . . 0.0 108.912 174.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.503 ' HB3' ' CE2' ' A' ' 6' ' ' TYR . 77.0 m80 -87.63 123.74 32.8 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 179.624 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.488 ' CD2' HG21 ' A' ' 53' ' ' THR . 2.4 m-30 -101.77 112.25 24.78 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.199 -0.91 . . . . 0.0 111.039 -174.252 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.55 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 80.6 m-85 -124.0 135.4 53.6 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 174.677 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.628 ' HB3' ' HB2' ' A' ' 10' ' ' CYS . 9.1 t -82.02 131.96 35.25 Favored 'General case' 0 CA--C 1.505 -0.771 0 C-N-CA 120.07 -0.652 . . . . 0.0 112.68 -171.819 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.538 HH21 HD11 ' A' ' 54' ' ' ILE . 3.3 ppt_? -66.6 124.28 22.39 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-N 114.671 -1.149 . . . . 0.0 108.849 170.779 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.434 ' HB3' ' O ' ' A' ' 8' ' ' ARG . 45.2 t60 90.51 -17.07 0.2 Allowed 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 114.289 -1.323 . . . . 0.0 110.856 172.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.628 ' HB2' ' HB3' ' A' ' 7' ' ' CYS . 63.0 m -110.6 -39.69 4.82 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.993 0.425 . . . . 0.0 111.4 179.351 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 81.25 3.98 90.56 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.866 -0.683 . . . . 0.0 111.833 -174.444 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.613 HG12 ' HB2' ' A' ' 10' ' ' CYS . 1.9 p -74.58 132.48 33.28 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.459 0 CA-C-O 121.532 0.682 . . . . 0.0 112.391 -177.733 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.509 ' HG3' ' CD1' ' A' ' 6' ' ' TYR . 0.1 OUTLIER -75.56 95.16 3.28 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 114.362 -1.29 . . . . 0.0 109.519 177.72 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -75.67 -31.6 23.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.335 -172.304 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -144.32 51.8 0.62 Allowed Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.087 -176.255 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 43.2 m -148.23 75.63 1.34 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.436 0.636 . . . . 0.0 109.517 178.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -105.41 -15.71 14.94 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.278 -0.874 . . . . 0.0 109.741 -176.403 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.1 mp0 -65.86 -17.09 64.41 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.337 -1.302 . . . . 0.0 111.232 -176.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.5 p -57.31 -28.78 63.36 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.619 178.741 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 37.5 t -63.13 -25.33 68.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.967 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 53.9 mtm -108.03 -29.6 8.9 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-O 121.48 0.657 . . . . 0.0 109.447 -178.258 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 59.7 t -107.02 97.48 5.71 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.88 0 CA-C-N 114.589 -1.187 . . . . 0.0 110.439 -176.56 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.5 m -75.14 -30.0 60.65 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.638 178.481 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.0 m -89.26 80.37 6.89 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.309 0.576 . . . . 0.0 110.425 -179.616 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -96.62 -21.11 17.83 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 178.051 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 20.1 t -119.46 126.92 52.48 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 114.372 -1.286 . . . . 0.0 109.5 -178.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.0 tt -67.29 -70.46 0.25 Allowed 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.792 -0.448 . . . . 0.0 109.792 178.029 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 69.98 125.21 0.04 OUTLIER Glycine 0 CA--C 1.519 0.319 0 C-N-CA 120.706 -0.759 . . . . 0.0 113.023 178.59 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.559 ' CD1' HD13 ' A' ' 32' ' ' LEU . 8.6 p90 -139.89 130.08 25.14 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.557 0.694 . . . . 0.0 111.235 -178.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -100.58 -62.63 1.22 Allowed 'General case' 0 N--CA 1.438 -1.062 0 CA-C-N 114.915 -1.039 . . . . 0.0 109.063 178.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 40.2 t-80 -101.04 112.68 25.2 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 170.213 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.559 HD13 ' CD1' ' A' ' 29' ' ' PHE . 1.6 pt? -127.33 130.68 49.93 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-O 121.615 0.722 . . . . 0.0 110.673 -175.786 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 96.3 m -157.37 -89.55 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.199 -0.91 . . . . 0.0 109.442 -175.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 15.1 p-10 -77.05 -28.84 54.94 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 170.334 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.447 ' HG3' ' H ' ' A' ' 35' ' ' GLU . 10.5 mt-10 -62.26 -36.61 82.59 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.22 -1.354 . . . . 0.0 109.33 174.234 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -65.43 -50.73 64.32 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.431 -1.259 . . . . 0.0 109.995 175.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -64.85 -54.56 29.05 Favored 'General case' 0 N--CA 1.442 -0.83 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.784 -175.587 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -75.5 -57.76 3.69 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.934 -173.068 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.409 ' HB2' ' O ' ' A' ' 35' ' ' GLU . 5.1 m-20 -73.91 -56.06 5.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.929 -173.815 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 18.7 ttt -77.12 -43.38 34.32 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.621 -174.748 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 47.8 mt 65.77 -76.85 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.384 -174.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 67.6 m -160.97 11.74 0.09 Allowed 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 122.544 0.338 . . . . 0.0 110.49 178.562 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 30.2 p90 -131.5 162.63 29.81 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.289 0.566 . . . . 0.0 111.597 -173.727 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -100.43 148.21 24.99 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.4 175.181 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -64.97 -18.93 65.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.299 0.571 . . . . 0.0 110.805 -178.644 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -74.32 -8.39 56.08 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.162 176.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.1 -3.37 38.47 Favored Glycine 0 N--CA 1.449 -0.465 0 N-CA-C 111.346 -0.701 . . . . 0.0 111.346 -176.32 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 29.3 t70 57.04 22.22 7.11 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 121.782 0.801 . . . . 0.0 110.565 -176.307 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.43 HG21 ' O ' ' A' ' 2' ' ' ALA . 2.2 m -106.67 92.64 2.17 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.72 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.944 178.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -125.4 92.5 3.63 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.115 -0.948 . . . . 0.0 108.806 -176.741 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.5 m -109.8 134.13 52.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-O 121.326 0.584 . . . . 0.0 112.051 -172.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.55 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 86.2 mt -90.52 115.78 27.92 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.259 174.577 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.488 HG21 ' CD2' ' A' ' 5' ' ' TYR . 14.6 t -128.53 -173.4 2.95 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.706 -173.14 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.546 HD13 HD11 ' A' ' 62' ' ' LEU . 1.7 mt -100.62 122.15 52.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.602 -179.267 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 18.8 p -72.84 166.19 23.43 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 174.47 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -56.96 -41.26 78.01 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 117.687 0.221 . . . . 0.0 111.29 -175.492 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -60.36 -39.78 88.41 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.963 0.411 . . . . 0.0 110.879 177.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 13.1 m -66.2 -45.24 81.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.927 176.352 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.813 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 18.4 tt0 -59.04 -30.97 68.43 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.873 0.368 . . . . 0.0 111.683 173.564 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -71.26 -41.61 69.85 Favored 'General case' 0 N--CA 1.429 -1.487 0 O-C-N 121.191 -0.943 . . . . 0.0 111.025 174.548 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.24 -31.16 61.28 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 122.207 1.003 . . . . 0.0 109.183 169.753 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.813 ' HB2' ' O ' ' A' ' 59' ' ' GLN . 0.4 OUTLIER -68.97 -58.72 3.73 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 113.394 -1.73 . . . . 0.0 111.416 178.476 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -67.76 -32.83 73.7 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.41 -1.268 . . . . 0.0 111.91 -176.776 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.478 ' O ' ' HB2' ' A' ' 65' ' ' ASN . 19.5 ttm180 -114.74 -129.54 0.3 Allowed 'General case' 0 N--CA 1.444 -0.772 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 176.765 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.478 ' HB2' ' O ' ' A' ' 64' ' ' ARG . 45.7 t-20 169.95 82.86 0.03 OUTLIER Pre-proline 0 C--N 1.33 -0.266 0 C-N-CA 123.242 0.617 . . . . 0.0 110.093 -179.503 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -68.82 -49.61 0.71 Allowed 'Trans proline' 0 C--N 1.333 -0.259 0 C-N-CA 122.681 2.254 . . . . 0.0 110.833 172.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -162.79 37.46 0.1 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.483 -0.781 . . . . 0.0 108.98 175.055 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -90.09 95.54 10.26 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.025 -0.988 . . . . 0.0 111.067 -172.107 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 67.1 m-70 50.93 49.62 20.77 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.907 175.4 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -89.02 16.71 6.62 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.087 -174.506 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -81.8 46.79 1.02 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.338 0.59 . . . . 0.0 111.137 179.632 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 6.7 p-80 -137.53 28.64 2.71 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.327 0.584 . . . . 0.0 110.078 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.7 p . . . . . 0 C--O 1.248 0.998 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.66 -179.213 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' -1' ' ' GLN . . . . . 0.433 ' HG2' ' O ' ' A' ' -1' ' ' GLN . 5.0 pm0 . . . . . 0 N--CA 1.479 0.977 0 CA-C-O 121.479 0.657 . . . . 0.0 110.549 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 26.0 t -148.87 114.86 5.74 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.539 177.113 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -114.07 174.71 5.81 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.71 -178.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.73 -12.12 56.22 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.233 0.54 . . . . 0.0 110.469 179.289 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.509 ' CB ' ' HB ' ' A' ' 49' ' ' VAL . 0.3 OUTLIER -118.14 157.91 26.04 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.572 -176.749 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.463 ' O ' ' HB ' ' A' ' 51' ' ' VAL . 1.4 m80 -129.16 127.37 41.25 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.556 -177.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.448 ' CD1' HG21 ' A' ' 53' ' ' THR . 3.3 m-85 -89.08 116.13 27.13 Favored 'General case' 0 C--N 1.298 -1.672 0 CA-C-N 114.718 -1.128 . . . . 0.0 111.161 -177.298 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.483 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 99.1 m-85 -124.65 135.24 52.9 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 171.296 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.551 ' HB2' HG13 ' A' ' 12' ' ' VAL . 3.2 t -82.47 132.22 35.21 Favored 'General case' 0 CA--C 1.5 -0.944 0 C-N-CA 118.915 -1.114 . . . . 0.0 112.649 -172.532 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.461 ' O ' ' HG3' ' A' ' 8' ' ' ARG . 20.6 ptt180 -62.28 123.34 17.95 Favored 'General case' 0 N--CA 1.436 -1.138 0 CA-C-N 114.246 -1.343 . . . . 0.0 108.942 173.848 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 26.5 t-80 82.72 -41.21 0.11 Allowed 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.358 168.32 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.576 ' HB2' HG12 ' A' ' 12' ' ' VAL . 26.5 m -72.85 -33.34 66.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.279 0.561 . . . . 0.0 110.063 175.639 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 75.53 12.15 83.9 Favored Glycine 0 N--CA 1.448 -0.561 0 CA-C-N 115.35 -0.841 . . . . 0.0 112.221 179.042 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.576 HG12 ' HB2' ' A' ' 10' ' ' CYS . 1.3 p -83.0 130.35 35.87 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 CA-C-O 121.122 0.487 . . . . 0.0 111.433 -178.565 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.611 ' O ' ' HD3' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -80.29 95.75 6.43 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.979 0.895 . . . . 0.0 109.458 178.748 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.402 HG23 ' H ' ' A' ' 14' ' ' VAL . 0.0 OUTLIER -73.52 -35.6 45.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.939 -174.812 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 76.74 -65.81 2.83 Favored Glycine 0 N--CA 1.444 -0.828 0 N-CA-C 110.709 -0.956 . . . . 0.0 110.709 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.3 t -179.3 160.89 1.04 Allowed 'General case' 0 N--CA 1.442 -0.844 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.404 ' HG ' ' HG2' ' A' ' 18' ' ' GLU . 2.5 pt? -166.38 -26.08 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.5 0.667 . . . . 0.0 110.117 -178.278 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.404 ' HG2' ' HG ' ' A' ' 17' ' ' LEU . 5.4 pt-20 -134.51 93.92 3.12 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.107 -0.951 . . . . 0.0 110.067 176.689 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.415 ' HA ' ' HB ' ' A' ' 22' ' ' VAL . 2.9 p -112.59 17.14 19.43 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.409 -177.1 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.1 m -56.7 -42.57 79.37 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.13 -0.941 . . . . 0.0 111.548 -178.417 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 25.5 ptt? -111.82 -0.43 15.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.343 0.592 . . . . 0.0 110.051 -179.281 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.415 ' HB ' ' HA ' ' A' ' 19' ' ' SER . 40.0 t -103.61 86.79 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.865 -179.123 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.4 m -133.62 101.95 5.31 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.246 -178.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.6 m -84.16 112.74 20.52 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.094 177.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -85.99 -27.41 24.86 Favored 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 179.679 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.405 ' HA ' ' CG ' ' A' ' 40' ' ' MET . 28.1 t -81.72 53.44 2.15 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 114.359 -1.292 . . . . 0.0 109.673 177.275 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 40.0 tp -141.64 96.63 3.01 Favored 'General case' 0 N--CA 1.432 -1.369 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.968 -173.738 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -86.4 9.2 71.37 Favored Glycine 0 N--CA 1.452 -0.238 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 175.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.465 ' CD1' HD11 ' A' ' 32' ' ' LEU . 22.6 m-85 65.0 -83.14 0.03 OUTLIER 'General case' 0 C--O 1.233 0.224 0 C-N-CA 124.209 1.004 . . . . 0.0 111.223 -179.015 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.466 ' O ' ' HB3' ' A' ' 43' ' ' TYR . 79.1 mt-30 -144.59 -89.24 0.11 Allowed 'General case' 0 CA--C 1.517 -0.302 0 CA-C-O 121.6 0.714 . . . . 0.0 111.073 -175.261 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 69.0 m80 -133.02 69.26 1.48 Allowed 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.771 176.09 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.465 HD11 ' CD1' ' A' ' 29' ' ' PHE . 62.9 mt -63.64 -77.83 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.38 176.542 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.3 m -157.32 157.72 34.68 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.734 -0.667 . . . . 0.0 109.772 178.087 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -50.96 -49.06 60.79 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 120.803 0.335 . . . . 0.0 111.207 179.391 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -53.76 -39.03 65.01 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.883 -0.599 . . . . 0.0 112.017 179.44 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -67.12 -46.4 74.25 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.119 0.485 . . . . 0.0 110.314 178.257 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.553 ' HG2' ' HA ' ' A' ' 42' ' ' SER . 74.2 mtp180 -60.89 -43.15 98.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.294 -0.867 . . . . 0.0 110.967 -178.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -72.87 -26.94 61.63 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.273 -178.449 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -71.85 -57.34 4.41 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.656 -0.247 . . . . 0.0 111.636 -175.249 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.405 ' CG ' ' HA ' ' A' ' 26' ' ' SER . 46.8 tpp -120.29 -46.94 2.38 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.801 -177.842 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.423 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 14.8 tt 178.06 160.35 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 -179.3 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.553 ' HA ' ' HG2' ' A' ' 37' ' ' ARG . 67.7 m -68.43 -63.14 1.12 Allowed 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -178.503 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.466 ' HB3' ' O ' ' A' ' 30' ' ' GLN . 30.5 p90 -151.73 -165.42 2.23 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.866 -0.334 . . . . 0.0 111.497 -172.691 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -42.41 121.77 2.03 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.74 0.816 . . . . 0.0 112.105 177.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.404 ' HG2' ' CD1' ' A' ' 41' ' ' ILE . 43.9 mt-10 -70.11 -44.51 68.83 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.544 -178.348 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -103.95 6.39 36.22 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.857 0.836 . . . . 0.0 109.664 -179.251 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.578 ' O ' ' HB2' ' A' ' 48' ' ' ASP . . . 90.48 -36.23 3.64 Favored Glycine 0 N--CA 1.447 -0.578 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.492 -177.637 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.578 ' HB2' ' O ' ' A' ' 47' ' ' GLY . 13.1 t70 165.64 153.82 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 123.925 0.89 . . . . 0.0 108.706 175.743 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.509 ' HB ' ' CB ' ' A' ' 3' ' ' LEU . 6.7 t -105.76 106.65 20.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.051 179.209 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 71.2 t60 -73.94 103.92 4.61 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 176.746 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.463 ' HB ' ' O ' ' A' ' 4' ' ' HIS . 66.4 t -107.71 123.09 62.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.446 -171.853 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.483 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 3.2 mm? -103.16 110.08 21.9 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.859 177.028 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.448 HG21 ' CD1' ' A' ' 5' ' ' TYR . 15.2 t -125.38 -170.66 2.21 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.293 -0.412 . . . . 0.0 109.957 -178.776 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.589 HG12 ' SG ' ' A' ' 58' ' ' CYS . 0.4 OUTLIER -114.13 114.57 47.08 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 CA-C-O 121.379 0.609 . . . . 0.0 110.388 177.257 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 22.0 p -70.66 -177.89 1.67 Allowed 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.309 177.561 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -69.53 -32.58 71.49 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.688 -0.233 . . . . 0.0 111.407 -176.734 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -56.6 -50.78 70.94 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 120.876 0.369 . . . . 0.0 111.448 -178.45 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.607 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 2.3 p -75.72 -51.5 12.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.822 -178.812 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.553 ' HB2' ' CG2' ' A' ' 54' ' ' ILE . 21.1 tm0? -51.91 -35.84 46.88 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.254 0.622 . . . . 0.0 112.176 -176.792 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -67.53 -56.26 10.21 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 121.061 0.458 . . . . 0.0 110.659 -176.556 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.9 -32.0 73.18 Favored 'General case' 0 CA--C 1.503 -0.845 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 179.05 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.607 ' HB2' ' O ' ' A' ' 58' ' ' CYS . 0.2 OUTLIER -58.64 -58.64 7.66 Favored 'General case' 0 N--CA 1.44 -0.958 0 CA-C-N 113.731 -1.577 . . . . 0.0 111.451 -177.378 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -73.15 -28.73 62.4 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.791 -177.081 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -74.36 -45.9 44.07 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 111.702 0.26 . . . . 0.0 111.702 -177.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -151.34 160.6 31.61 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 120.96 0.41 . . . . 0.0 111.652 -174.114 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -74.31 167.01 28.16 Favored 'Trans proline' 0 N--CA 1.461 -0.393 0 C-N-CA 122.585 2.19 . . . . 0.0 111.012 170.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 62.05 53.99 2.86 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 120.899 0.38 . . . . 0.0 110.517 -178.035 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 39.0 p90 -62.16 135.07 57.34 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.52 -178.499 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 16.3 t-80 74.41 -37.85 0.37 Allowed 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 123.917 0.887 . . . . 0.0 111.458 178.284 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -81.38 50.59 1.48 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.31 0.576 . . . . 0.0 110.341 176.631 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -133.72 131.85 39.9 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.406 -178.348 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 16.7 p-80 -57.15 -24.14 52.24 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.836 -177.387 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 27.8 m . . . . . 0 C--O 1.248 0.984 0 CA-C-O 118.749 -0.643 . . . . 0.0 109.472 177.003 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 . . . . . 0 N--CA 1.482 1.14 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 25.8 t -76.54 -35.17 58.41 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 176.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.5 mtt -92.78 161.61 14.45 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.377 -0.829 . . . . 0.0 108.773 172.426 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.455 ' O ' HG21 ' A' ' 49' ' ' VAL . . . -96.7 -64.44 1.05 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.186 0.517 . . . . 0.0 110.107 177.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.44 HD12 ' C ' ' A' ' 2' ' ' ALA . 6.6 mp -127.27 153.16 46.48 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.446 177.516 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 35.7 m80 -86.01 121.48 28.7 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 -179.622 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.477 ' HB2' ' N ' ' A' ' 15' ' ' GLY . 7.6 m-30 -98.75 126.26 44.32 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.305 -173.443 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.535 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 81.8 m-85 -131.36 131.43 43.69 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 173.591 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.574 ' HB3' ' HB2' ' A' ' 10' ' ' CYS . 11.8 t -78.19 137.21 38.04 Favored 'General case' 0 CA--C 1.5 -0.972 0 CA-C-O 121.735 0.779 . . . . 0.0 112.882 -170.342 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.453 ' O ' ' HB3' ' A' ' 9' ' ' HIS . 34.0 ptt180 -65.89 126.48 28.67 Favored 'General case' 0 N--CA 1.435 -1.218 0 CA-C-N 113.836 -1.529 . . . . 0.0 108.674 168.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.453 ' HB3' ' O ' ' A' ' 8' ' ' ARG . 24.3 t60 86.97 -44.39 0.04 OUTLIER 'General case' 0 C--N 1.309 -1.155 0 CA-C-N 114.061 -1.427 . . . . 0.0 110.933 173.595 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.634 ' HB2' HG12 ' A' ' 12' ' ' VAL . 61.1 m -78.45 -42.47 29.81 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.275 0.559 . . . . 0.0 111.283 179.749 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 81.44 8.66 86.8 Favored Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 120.522 -0.846 . . . . 0.0 111.6 -173.475 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.634 HG12 ' HB2' ' A' ' 10' ' ' CYS . 2.4 p -78.09 134.65 27.8 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.571 0 CA-C-O 121.436 0.636 . . . . 0.0 111.736 -178.042 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.7 mttm -76.58 93.93 3.66 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 114.718 -1.128 . . . . 0.0 108.881 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.472 ' HB ' ' HB3' ' A' ' 5' ' ' TYR . 0.3 OUTLIER -69.94 -30.81 45.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.037 -172.717 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.477 ' N ' ' HB2' ' A' ' 5' ' ' TYR . . . -75.32 -9.11 84.29 Favored Glycine 0 C--N 1.329 0.18 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.319 -178.321 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 40.5 t -116.1 150.74 36.87 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 -178.71 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.45 HD23 ' H ' ' A' ' 17' ' ' LEU . 1.7 pt? -125.35 -20.58 4.77 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.367 0.603 . . . . 0.0 110.252 178.622 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -87.22 -74.64 0.43 Allowed 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.294 178.526 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.6 m 54.99 42.23 31.22 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.819 175.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 30.1 m -96.76 -64.91 1.0 Allowed 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.619 178.479 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 82.4 mmm -105.98 -12.32 15.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.765 0.317 . . . . 0.0 110.929 178.694 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.5 p -84.07 76.09 1.15 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 CA-C-O 122.141 0.972 . . . . 0.0 110.73 -178.652 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.6 m -81.47 63.8 5.93 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.341 178.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.6 t -51.35 138.54 21.13 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.092 -0.958 . . . . 0.0 111.507 -179.359 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -97.56 -55.61 2.77 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-N 115.405 -0.816 . . . . 0.0 108.837 -177.677 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 21.3 t 56.97 52.46 9.23 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 121.975 0.893 . . . . 0.0 110.391 172.549 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 94.0 mt -130.91 159.38 37.6 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.077 -0.965 . . . . 0.0 109.89 -179.336 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -86.94 45.32 3.41 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 121.298 -0.477 . . . . 0.0 113.589 -173.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.5 ' HB2' ' HA ' ' A' ' 32' ' ' LEU . 36.7 p90 -155.76 141.28 17.8 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.149 0.499 . . . . 0.0 110.635 175.482 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -103.72 -61.85 1.38 Allowed 'General case' 0 CA--C 1.509 -0.619 0 CA-C-O 122.358 1.075 . . . . 0.0 108.137 175.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.505 ' C ' HD23 ' A' ' 32' ' ' LEU . 24.0 p80 -110.23 11.08 23.66 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 113.126 -1.852 . . . . 0.0 108.721 177.067 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.513 ' HB2' ' HB2' ' A' ' 36' ' ' GLU . 1.6 pt? 41.61 -137.44 0.19 Allowed 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 114.012 -1.449 . . . . 0.0 112.713 177.549 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.466 ' O ' ' HB3' ' A' ' 36' ' ' GLU . 58.7 m 66.72 -87.76 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 117.555 0.161 . . . . 0.0 111.195 -173.826 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -74.54 -36.83 63.14 Favored 'General case' 0 CA--C 1.511 -0.526 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 176.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.432 ' HB2' ' HA ' ' A' ' 32' ' ' LEU . 5.7 mt-10 -73.52 -26.08 60.71 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.824 -1.08 . . . . 0.0 108.998 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.513 ' HB2' ' HB2' ' A' ' 32' ' ' LEU . 39.3 tt0 -56.61 -46.43 80.91 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.341 -1.3 . . . . 0.0 110.943 178.57 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.445 ' O ' HG13 ' A' ' 41' ' ' ILE . 52.3 mtm180 -68.04 -31.97 71.99 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.988 -177.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 -73.36 -43.49 60.6 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.167 -178.554 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -67.33 -31.94 72.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.555 179.234 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 15.7 tpt -63.54 -29.12 70.43 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.032 177.25 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.445 HG13 ' O ' ' A' ' 37' ' ' ARG . 73.0 mt -77.36 -65.2 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.516 174.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 44.5 p 176.83 -46.12 0.01 OUTLIER 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.839 -178.641 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -51.88 119.5 4.34 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.162 -0.927 . . . . 0.0 112.802 -173.151 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 35.4 mmtm -93.49 121.33 34.79 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 114.77 -1.104 . . . . 0.0 108.773 173.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.474 ' H ' ' HG3' ' A' ' 45' ' ' GLU . 1.5 pp20? -57.31 -28.09 62.76 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 113.291 0.849 . . . . 0.0 113.291 -174.665 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -94.52 -6.88 42.76 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.24 0.543 . . . . 0.0 110.352 179.573 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.64 27.04 63.85 Favored Glycine 0 N--CA 1.445 -0.732 0 N-CA-C 110.706 -0.957 . . . . 0.0 110.706 -172.419 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -56.37 135.11 54.01 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 121.318 0.58 . . . . 0.0 111.199 -174.075 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.455 HG21 ' O ' ' A' ' 2' ' ' ALA . 0.4 OUTLIER -88.47 93.89 4.48 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.265 -179.469 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -117.28 108.08 15.19 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.008 -175.783 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.4 m -127.68 143.84 39.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.272 0.558 . . . . 0.0 112.002 -176.512 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.535 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 2.8 mm? -98.48 122.65 41.94 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 175.174 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.423 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 13.8 t -142.8 -172.48 3.66 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 120.907 0.384 . . . . 0.0 111.36 -173.248 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 7.1 mt -88.17 128.92 40.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.993 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 17.6 p -82.75 166.63 18.89 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 173.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.475 ' HB3' ' CZ ' ' A' ' 68' ' ' TYR . 52.9 mp0 -55.06 -45.71 75.34 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.801 0.334 . . . . 0.0 110.794 -177.212 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.426 ' O ' ' HB3' ' A' ' 60' ' ' GLU . 25.1 t70 -61.26 -40.9 95.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.311 179.478 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.681 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 4.6 m -61.02 -53.82 52.45 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.53 176.452 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.432 ' OE1' ' HB2' ' A' ' 63' ' ' ASP . 0.0 OUTLIER -53.2 -37.12 61.71 Favored 'General case' 0 N--CA 1.467 0.376 0 O-C-N 123.712 0.633 . . . . 0.0 110.846 177.916 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.426 ' HB3' ' O ' ' A' ' 57' ' ' ASP . 8.8 tp10 -58.1 -56.99 14.93 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.764 0.792 . . . . 0.0 111.438 -179.672 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.45 -28.22 68.42 Favored 'General case' 0 N--CA 1.44 -0.94 0 CA-C-N 114.275 -1.33 . . . . 0.0 108.203 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.681 ' HB2' ' O ' ' A' ' 58' ' ' CYS . 0.3 OUTLIER -70.07 -57.97 4.36 Favored 'General case' 0 N--CA 1.434 -1.242 0 CA-C-N 113.956 -1.474 . . . . 0.0 111.294 -173.118 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.432 ' HB2' ' OE1' ' A' ' 59' ' ' GLN . 38.8 t70 -73.46 -24.76 60.26 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.735 -178.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 70.23 2.31 3.93 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.512 0.725 . . . . 0.0 112.474 173.748 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -93.82 117.18 67.21 Favored Pre-proline 0 C--N 1.319 -0.733 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 172.357 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.418 ' O ' ' HB2' ' A' ' 67' ' ' HIS . 80.5 Cg_exo -47.68 137.09 21.13 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 123.101 2.534 . . . . 0.0 112.497 -177.075 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.418 ' HB2' ' O ' ' A' ' 66' ' ' PRO . 26.6 m-70 70.49 82.3 0.16 Allowed 'General case' 0 C--N 1.328 -0.367 0 O-C-N 123.896 0.748 . . . . 0.0 110.494 -176.632 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.475 ' CZ ' ' HB3' ' A' ' 56' ' ' GLU . 29.3 p90 -51.23 163.11 0.26 Allowed 'General case' 0 C--O 1.236 0.392 0 CA-C-N 115.025 -0.989 . . . . 0.0 111.01 176.281 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 45.1 t60 67.6 67.26 0.38 Allowed 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.315 -0.402 . . . . 0.0 109.923 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 68.13 112.99 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.652 -179.533 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -74.83 94.15 2.73 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.135 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 29.4 t60 -64.77 100.76 0.42 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.253 179.129 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 26.4 m . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.648 -0.692 . . . . 0.0 110.251 -179.643 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 . . . . . 0 N--CA 1.483 1.209 0 CA-C-O 120.476 0.179 . . . . 0.0 111.058 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 17.0 m 68.08 -55.51 0.5 Allowed 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.443 0.697 . . . . 0.0 112.402 179.717 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.8 ptp -87.88 177.08 7.08 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.583 -0.281 . . . . 0.0 110.421 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.493 ' O ' HG21 ' A' ' 49' ' ' VAL . . . 77.54 -52.33 0.53 Allowed 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.753 0.821 . . . . 0.0 111.614 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.474 ' HA ' ' HB ' ' A' ' 49' ' ' VAL . 7.1 mp -119.62 154.17 34.39 Favored 'General case' 0 C--N 1.313 -0.986 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 177.289 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.427 ' HB2' ' O ' ' A' ' 49' ' ' VAL . 40.0 m80 -93.2 122.08 35.22 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 108.423 -0.955 . . . . 0.0 108.423 176.403 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.575 ' H ' ' HA3' ' A' ' 15' ' ' GLY . 13.1 m-30 -99.74 129.8 45.89 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.639 -174.566 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.401 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 77.1 m-85 -127.4 132.67 50.08 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-O 121.62 0.724 . . . . 0.0 110.676 176.781 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.691 ' HB3' ' O ' ' A' ' 12' ' ' VAL . 0.0 OUTLIER -76.88 117.86 18.9 Favored 'General case' 0 N--CA 1.437 -1.111 0 CA-C-N 114.521 -1.218 . . . . 0.0 112.137 -174.394 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.417 HH21 HD11 ' A' ' 62' ' ' LEU . 32.9 ptt180 -66.18 131.59 46.52 Favored 'General case' 0 N--CA 1.436 -1.131 0 CA-C-N 115.223 -0.899 . . . . 0.0 108.662 166.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 44.6 t-80 90.46 -58.77 0.02 OUTLIER 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 115.316 -0.857 . . . . 0.0 113.26 168.46 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -83.6 -24.77 31.35 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 119.912 -0.715 . . . . 0.0 110.822 -172.071 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 83.62 33.18 22.71 Favored Glycine 0 C--N 1.334 0.435 0 C-N-CA 120.966 -0.635 . . . . 0.0 113.536 174.715 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.691 ' O ' ' HB3' ' A' ' 7' ' ' CYS . 2.4 p -106.38 139.81 26.55 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-O 121.961 0.886 . . . . 0.0 112.076 176.114 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 31.0 mtmm -89.76 94.77 9.96 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.102 -178.677 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.494 HG23 ' HB3' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -71.27 -22.51 22.45 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 CA-C-O 120.831 0.348 . . . . 0.0 111.063 -177.582 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.575 ' HA3' ' H ' ' A' ' 5' ' ' TYR . . . -129.92 55.14 0.77 Allowed Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.071 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.1 m -148.58 59.71 1.08 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.455 0.645 . . . . 0.0 109.472 174.311 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.509 HD23 ' H ' ' A' ' 17' ' ' LEU . 1.1 pt? -114.23 -19.78 11.16 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.168 -0.924 . . . . 0.0 109.382 -177.536 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -128.23 46.79 2.52 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 114.898 -1.046 . . . . 0.0 109.683 173.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 75.1 m -102.61 16.33 26.72 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.103 -179.174 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 51.4 m -74.57 -34.7 62.96 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.604 -179.313 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 22.9 mmt -101.27 -7.36 23.1 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.939 0.4 . . . . 0.0 110.701 -179.332 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.5 p -141.75 128.41 19.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.086 0.47 . . . . 0.0 110.662 -177.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.549 ' H ' ' HB3' ' A' ' 26' ' ' SER . 80.8 p -144.34 -162.04 1.4 Allowed 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.044 -0.525 . . . . 0.0 109.932 -177.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.2 m -80.4 -31.46 37.7 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.993 0.425 . . . . 0.0 110.681 179.068 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -90.75 -35.92 14.59 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 -177.12 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.549 ' HB3' ' H ' ' A' ' 23' ' ' SER . 24.7 t -66.18 133.36 50.5 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 114.955 -1.021 . . . . 0.0 109.777 175.844 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.4 mp -84.07 127.38 33.86 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.419 -178.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.429 ' O ' ' HB2' ' A' ' 45' ' ' GLU . . . -82.18 82.47 1.61 Allowed Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.847 -0.692 . . . . 0.0 111.724 176.824 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 42.5 p90 -124.62 -161.01 0.98 Allowed 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 177.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.56 -52.24 1.93 Allowed 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.599 178.231 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 30.3 t60 -179.93 100.23 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.472 ' HB2' ' HB3' ' A' ' 36' ' ' GLU . 1.2 pp -156.12 168.42 27.33 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 120.833 0.349 . . . . 0.0 111.495 -173.13 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.5 p -104.35 178.53 4.53 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.657 173.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.422 ' HA ' ' HD3' ' A' ' 37' ' ' ARG . 77.9 m-20 -64.23 -23.05 67.17 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.225 0.536 . . . . 0.0 109.867 177.365 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -54.84 -55.58 28.74 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.538 172.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.472 ' HB3' ' HB2' ' A' ' 32' ' ' LEU . 4.0 tp10 -67.64 -33.46 75.0 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.898 -1.046 . . . . 0.0 110.653 -177.112 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.533 ' O ' ' HB ' ' A' ' 41' ' ' ILE . 77.7 mtp180 -56.51 -50.06 72.9 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 115.74 -0.663 . . . . 0.0 111.476 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 47.7 m-80 -78.22 -38.23 43.58 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.751 0.31 . . . . 0.0 111.309 -178.668 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -77.82 -58.29 3.35 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -171.621 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 16.7 tpt -96.63 -39.8 9.32 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.835 0.35 . . . . 0.0 111.323 -173.132 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.533 ' HB ' ' O ' ' A' ' 37' ' ' ARG . 48.8 mm -73.92 103.84 2.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 121.28 0.562 . . . . 0.0 110.948 -176.64 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.7 m -75.76 -30.22 59.08 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.831 177.16 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 46.9 p90 -161.07 156.51 24.67 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.227 -0.897 . . . . 0.0 108.981 178.174 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 51.4 mtpt -53.36 116.27 2.35 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 123.427 0.454 . . . . 0.0 109.802 176.096 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.429 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 45.0 mt-10 -60.53 -10.47 5.11 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 -168.854 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -67.52 -20.89 65.49 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.175 0.512 . . . . 0.0 109.758 173.576 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.39 -11.27 68.44 Favored Glycine 0 N--CA 1.448 -0.54 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.748 176.098 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 31.7 t70 57.08 73.48 0.46 Allowed 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.938 0.875 . . . . 0.0 109.367 -174.304 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.493 HG21 ' O ' ' A' ' 2' ' ' ALA . 2.3 m -107.76 104.51 17.19 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 114.81 -1.086 . . . . 0.0 111.308 -171.156 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 29.7 t60 -134.87 96.4 3.52 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.412 -177.437 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 26.0 m -121.33 143.03 35.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 120.819 0.342 . . . . 0.0 111.159 -176.134 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.431 HD22 ' N ' ' A' ' 52' ' ' LEU . 0.9 OUTLIER -101.61 123.67 46.0 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 174.589 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 12.3 t -141.21 -179.94 6.4 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 121.111 0.481 . . . . 0.0 111.031 -172.416 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 11.1 mt -86.34 114.68 26.23 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.514 -178.22 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.506 ' HB3' ' HB2' ' A' ' 7' ' ' CYS . 8.5 p -79.63 -179.62 6.98 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 176.008 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.473 ' O ' ' HG2' ' A' ' 60' ' ' GLU . 41.8 mt-10 -58.0 -48.04 81.22 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.949 0.405 . . . . 0.0 110.304 177.722 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -64.67 -32.66 74.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.843 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.46 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 14.1 m -61.89 -54.8 36.99 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.065 0.46 . . . . 0.0 110.19 175.841 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.09 -35.56 67.14 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.583 179.577 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.473 ' HG2' ' O ' ' A' ' 56' ' ' GLU . 13.7 mm-40 -67.67 -45.81 74.15 Favored 'General case' 0 N--CA 1.437 -1.119 0 CA-C-O 120.933 0.397 . . . . 0.0 112.015 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.542 ' HA ' ' HA ' ' A' ' 65' ' ' ASN . . . -63.72 -30.47 71.57 Favored 'General case' 0 CA--C 1.509 -0.597 0 CA-C-O 122.339 1.066 . . . . 0.0 108.376 177.725 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.46 ' HB2' ' O ' ' A' ' 58' ' ' CYS . 0.4 OUTLIER -73.21 -59.54 2.66 Favored 'General case' 0 N--CA 1.43 -1.446 0 CA-C-N 113.132 -1.849 . . . . 0.0 112.25 -175.448 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -72.48 -43.02 64.24 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.355 -174.018 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.556 ' C ' ' HD2' ' A' ' 66' ' ' PRO . 82.4 mtm180 -112.54 -69.19 0.88 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.384 -176.832 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.542 ' HA ' ' HA ' ' A' ' 61' ' ' ALA . 12.5 t-20 103.31 -61.57 0.0 OUTLIER Pre-proline 0 N--CA 1.483 1.196 0 C-N-CA 125.493 1.517 . . . . 0.0 112.49 178.577 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.556 ' HD2' ' C ' ' A' ' 64' ' ' ARG . 45.1 Cg_endo -68.58 -16.85 43.1 Favored 'Trans proline' 0 C--N 1.355 0.921 0 C-N-CA 121.531 1.487 . . . . 0.0 112.133 177.644 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 35.0 m-70 -121.67 113.24 19.46 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.854 178.451 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 46.4 p90 -146.38 -19.36 0.43 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.637 179.178 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 25.0 t-80 -164.87 77.39 0.31 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.783 0.325 . . . . 0.0 110.554 178.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -82.54 135.48 35.08 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.339 177.685 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 9.3 p90 -92.21 43.7 1.14 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.093 0.473 . . . . 0.0 111.677 -175.731 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 34.6 p-80 -149.05 144.44 26.7 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 110.008 -0.368 . . . . 0.0 110.008 178.672 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.6 m . . . . . 0 C--O 1.249 1.062 0 O-C-N 123.604 0.565 . . . . 0.0 110.293 -178.546 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 . . . . . 0 N--CA 1.482 1.133 0 N-CA-C 110.76 -0.089 . . . . 0.0 110.76 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 24.2 m 67.7 113.14 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.249 0 O-C-N 123.688 0.618 . . . . 0.0 110.52 -174.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 70.8 mtp -83.06 144.23 30.05 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.011 0.434 . . . . 0.0 110.454 -178.756 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.642 ' O ' HG21 ' A' ' 49' ' ' VAL . . . -126.49 -15.53 5.58 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.59 179.667 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.457 ' HA ' ' HB ' ' A' ' 49' ' ' VAL . 6.0 mp -108.54 158.39 17.6 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 -179.321 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.551 ' O ' ' HB ' ' A' ' 51' ' ' VAL . 36.9 m80 -101.95 123.41 45.82 Favored 'General case' 0 CA--C 1.497 -1.065 0 C-N-CA 120.69 -0.404 . . . . 0.0 109.923 -173.832 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.587 ' CD1' HG21 ' A' ' 53' ' ' THR . 2.8 m-85 -98.54 111.73 23.99 Favored 'General case' 0 C--N 1.302 -1.46 0 CA-C-N 115.109 -0.95 . . . . 0.0 110.516 -176.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.591 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 81.4 m-85 -120.89 127.13 51.59 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 173.291 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.534 ' HA ' ' O ' ' A' ' 53' ' ' THR . 12.2 t -77.82 127.65 32.74 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 113.24 0.829 . . . . 0.0 113.24 -167.16 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.525 HH21 HD11 ' A' ' 54' ' ' ILE . 0.7 OUTLIER -75.26 126.16 30.45 Favored 'General case' 0 N--CA 1.436 -1.164 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 168.717 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.507 ' HB3' ' O ' ' A' ' 8' ' ' ARG . 44.8 t60 109.69 -32.28 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 124.935 1.294 . . . . 0.0 111.597 171.505 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.803 ' SG ' HG12 ' A' ' 12' ' ' VAL . 11.7 p -128.08 -10.6 5.35 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 119.768 -0.773 . . . . 0.0 112.12 179.801 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 68.17 29.45 73.33 Favored Glycine 0 C--N 1.333 0.377 0 C-N-CA 121.296 -0.478 . . . . 0.0 114.065 174.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.803 HG12 ' SG ' ' A' ' 10' ' ' CYS . 7.7 p -88.37 146.25 6.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.347 0.594 . . . . 0.0 111.648 177.706 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -81.38 104.57 11.92 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.117 174.604 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.432 HG23 ' HB3' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -96.1 -7.69 9.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.018 0.437 . . . . 0.0 110.516 -179.046 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.509 ' N ' ' HB2' ' A' ' 5' ' ' TYR . . . -157.66 73.17 0.23 Allowed Glycine 0 N--CA 1.445 -0.758 0 C-N-CA 120.808 -0.71 . . . . 0.0 111.961 -179.538 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 53.6 m -126.4 128.94 47.81 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 178.278 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.43 HD23 ' H ' ' A' ' 17' ' ' LEU . 0.9 OUTLIER -114.65 -17.96 11.53 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.282 0.563 . . . . 0.0 110.599 -175.334 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.682 ' HA ' HG22 ' A' ' 22' ' ' VAL . 3.4 mp0 -70.1 144.99 51.92 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.153 -179.172 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 49.6 m 68.4 -44.53 0.51 Allowed 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.732 -174.155 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 28.0 t -65.33 -40.81 94.15 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.775 0.321 . . . . 0.0 111.018 -178.593 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 17.0 ptm -145.81 -52.92 0.26 Allowed 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.881 -0.328 . . . . 0.0 111.682 -178.015 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.682 HG22 ' HA ' ' A' ' 18' ' ' GLU . 14.1 t 48.07 65.19 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 CA-C-O 121.386 0.612 . . . . 0.0 110.87 -174.616 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 41.5 m -153.25 65.93 0.77 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.224 0.535 . . . . 0.0 110.464 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.6 p -126.53 162.34 25.89 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.008 178.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -92.85 -18.0 23.38 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 178.289 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.6 t -92.83 151.6 19.9 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 114.84 -1.073 . . . . 0.0 109.114 176.68 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 92.7 mt 69.55 129.43 0.03 OUTLIER 'General case' 0 C--O 1.231 0.092 0 O-C-N 124.022 0.826 . . . . 0.0 111.032 -173.346 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.476 ' HA2' ' HB2' ' A' ' 35' ' ' GLU . . . -88.55 -14.63 61.3 Favored Glycine 0 N--CA 1.447 -0.615 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.74 178.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 61.27 17.92 8.69 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 123.221 0.609 . . . . 0.0 111.287 179.482 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.428 ' HA ' ' CG ' ' A' ' 39' ' ' ASP . 23.9 pt20 60.21 -46.16 0.1 Allowed 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 126.316 1.846 . . . . 0.0 113.94 178.165 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.445 ' HA ' ' CG ' ' A' ' 36' ' ' GLU . 23.5 t60 -146.85 87.04 1.67 Allowed 'General case' 0 C--N 1.317 -0.829 0 O-C-N 122.169 -0.332 . . . . 0.0 110.488 -178.337 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.498 ' H ' ' HB2' ' A' ' 36' ' ' GLU . 63.4 tp -130.72 -83.35 0.53 Allowed 'General case' 0 N--CA 1.444 -0.765 0 C-N-CA 121.054 -0.258 . . . . 0.0 111.339 178.465 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.417 HG22 ' N ' ' A' ' 34' ' ' ASN . 83.7 m -150.25 -98.07 0.07 Allowed 'General case' 0 CA--C 1.543 0.682 0 O-C-N 121.885 -0.509 . . . . 0.0 112.352 178.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.417 ' N ' HG22 ' A' ' 33' ' ' THR . 86.2 m-20 -81.01 -34.6 32.8 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-O 121.718 0.771 . . . . 0.0 109.367 -176.232 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.58 ' CD ' ' H ' ' A' ' 35' ' ' GLU . 1.1 pm0 -70.75 -24.09 62.54 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 114.648 -1.16 . . . . 0.0 110.168 176.261 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.498 ' HB2' ' H ' ' A' ' 32' ' ' LEU . 3.6 tm-20 -59.08 -41.03 87.07 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.306 173.542 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 59.8 mtm180 -63.93 -33.58 76.02 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.497 176.749 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -77.83 -20.48 53.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.454 179.348 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.428 ' CG ' ' HA ' ' A' ' 30' ' ' GLN . 9.7 t70 -78.46 -16.11 57.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.71 177.495 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 67.4 mtt -64.06 -23.71 67.43 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.693 179.26 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.449 ' C ' ' H ' ' A' ' 43' ' ' TYR . 10.4 tt -119.38 130.01 74.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.895 175.587 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.423 ' HB2' ' O ' ' A' ' 41' ' ' ILE . 38.2 m 71.43 -22.76 0.19 Allowed 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.449 ' H ' ' C ' ' A' ' 41' ' ' ILE . 5.1 p90 42.27 -108.39 0.1 Allowed 'General case' 0 C--O 1.233 0.218 0 C-N-CA 123.916 0.887 . . . . 0.0 111.883 -176.029 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.484 ' HD3' ' HB2' ' A' ' 48' ' ' ASP . 61.4 mttm -87.14 100.93 13.02 Favored 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 176.229 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -57.83 -30.34 65.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.967 -0.56 . . . . 0.0 112.214 -174.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.407 ' C ' ' H ' ' A' ' 48' ' ' ASP . 0.2 OUTLIER -106.3 18.89 21.34 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.188 0.518 . . . . 0.0 109.999 -179.72 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.525 ' O ' ' HB2' ' A' ' 48' ' ' ASP . . . 79.13 -36.56 1.95 Allowed Glycine 0 C--O 1.227 -0.282 0 N-CA-C 111.682 -0.567 . . . . 0.0 111.682 -174.632 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.525 ' HB2' ' O ' ' A' ' 47' ' ' GLY . 27.8 t70 157.67 116.86 0.0 OUTLIER 'General case' 0 CA--C 1.513 -0.464 0 C-N-CA 125.65 1.58 . . . . 0.0 107.69 170.856 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.642 HG21 ' O ' ' A' ' 2' ' ' ALA . 18.8 m -73.76 91.82 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.901 0 CA-C-O 121.881 0.848 . . . . 0.0 111.284 -175.556 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -119.4 95.98 5.02 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 177.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.551 ' HB ' ' O ' ' A' ' 4' ' ' HIS . 37.2 t -112.64 121.52 65.11 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.154 0 CA-C-N 115.195 -0.911 . . . . 0.0 111.599 -167.693 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.591 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 24.4 mt -97.1 118.97 34.71 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 175.624 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.587 HG21 ' CD1' ' A' ' 5' ' ' TYR . 9.4 t -134.21 -176.83 4.33 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.105 -171.791 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.525 HD11 HH21 ' A' ' 8' ' ' ARG . 20.6 mt -107.22 123.16 62.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.832 -179.192 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 13.8 p -76.19 164.16 26.36 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 176.306 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 46.3 tt0 -49.11 -47.95 44.87 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 123.381 0.426 . . . . 0.0 111.153 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -60.79 -41.73 96.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.694 -0.685 . . . . 0.0 112.025 -176.648 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.448 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 97.9 m -72.87 -46.25 53.87 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.918 179.199 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.414 ' HB2' HG22 ' A' ' 54' ' ' ILE . 1.5 tm0? -51.58 -36.45 45.45 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 121.067 0.46 . . . . 0.0 110.632 174.334 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -72.33 -44.43 62.67 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.942 -178.723 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.97 -33.97 76.93 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-O 122.245 1.021 . . . . 0.0 108.611 177.195 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.448 ' HB2' ' O ' ' A' ' 58' ' ' CYS . 0.5 OUTLIER -63.66 -61.78 2.09 Favored 'General case' 0 N--CA 1.435 -1.184 0 CA-C-N 113.334 -1.757 . . . . 0.0 111.532 177.289 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -57.04 -33.54 67.31 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.503 -179.668 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.421 ' O ' ' HD3' ' A' ' 64' ' ' ARG . 3.4 tmt_? -70.34 -44.7 67.64 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.631 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.537 ' HB2' ' CE2' ' A' ' 68' ' ' TYR . 23.7 m-80 -117.23 111.38 40.36 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-O 120.65 0.262 . . . . 0.0 111.118 -174.195 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.421 ' HA ' ' O ' ' A' ' 69' ' ' HIS . 60.1 Cg_endo -72.73 41.79 0.56 Allowed 'Trans proline' 0 CA--C 1.532 0.409 0 C-N-CA 123.363 2.708 . . . . 0.0 113.223 -177.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 23.1 m-70 -111.72 -41.44 4.05 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 175.284 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.537 ' CE2' ' HB2' ' A' ' 65' ' ' ASN . 0.0 OUTLIER -93.1 -10.08 37.27 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 173.769 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.433 ' HB2' ' HG ' ' A' ' 62' ' ' LEU . 26.1 t-80 -133.78 87.16 2.35 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.221 -0.899 . . . . 0.0 110.62 -177.812 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -146.32 169.06 19.59 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.526 175.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 25.5 p90 -133.12 136.78 46.02 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.082 177.762 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 40.7 t-80 62.66 71.99 0.51 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.997 -176.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.7 m . . . . . 0 C--O 1.251 1.149 0 CA-C-O 118.537 -0.744 . . . . 0.0 110.699 179.922 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.824 HD22 HG11 ' A' ' 49' ' ' VAL . 23.7 mt . . . . . 0 CA--C 1.512 -0.502 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 25.4 m170 -88.59 120.14 29.7 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 107.467 -1.309 . . . . 0.0 107.467 174.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.53 ' HB2' ' N ' ' A' ' 15' ' ' GLY . 7.0 m-30 -100.47 118.26 36.32 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.765 -172.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.728 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 96.5 m-85 -126.27 130.14 50.3 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 173.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.426 ' HB2' HG13 ' A' ' 12' ' ' VAL . 16.3 t -76.45 143.8 40.31 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 122.04 0.924 . . . . 0.0 113.232 -166.538 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.545 HH21 HD11 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -67.73 119.31 12.25 Favored 'General case' 0 N--CA 1.439 -0.996 0 CA-C-N 113.457 -1.701 . . . . 0.0 109.966 172.524 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 28.9 t60 88.05 -47.22 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 114.447 -1.252 . . . . 0.0 112.849 167.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.842 ' SG ' HG12 ' A' ' 12' ' ' VAL . 1.7 p -92.17 -12.78 31.9 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 119.476 -0.89 . . . . 0.0 110.853 -173.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.44 32.41 79.12 Favored Glycine 0 C--N 1.332 0.344 0 CA-C-N 115.449 -0.796 . . . . 0.0 114.284 172.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.842 HG12 ' SG ' ' A' ' 10' ' ' CYS . 3.9 p -91.95 143.7 10.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 117.57 0.685 . . . . 0.0 110.976 175.53 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 34.3 mtmm -84.38 97.3 9.41 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.382 -0.827 . . . . 0.0 109.838 178.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.41 HG23 ' HB3' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -80.92 -16.65 12.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -175.206 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.53 ' N ' ' HB2' ' A' ' 5' ' ' TYR . . . . . . . . 0 N--CA 1.452 -0.266 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.257 -179.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.573 ' O ' ' HG3' ' A' ' 37' ' ' ARG . 44.3 p . . . . . 0 C--O 1.233 0.236 0 CA-C-O 120.234 0.064 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -64.93 -27.19 68.68 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 175.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -65.53 -47.25 76.55 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.733 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -65.01 -34.62 78.87 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.943 177.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.573 ' HG3' ' O ' ' A' ' 33' ' ' THR . 90.1 mtt180 -61.8 -33.13 73.57 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.047 176.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -73.69 -40.1 63.89 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.993 0.425 . . . . 0.0 110.912 -178.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -78.92 -10.28 59.76 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.788 179.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.426 ' HG2' ' O ' ' A' ' 40' ' ' MET . 45.8 ttm . . . . . 0 N--CA 1.47 0.568 0 C-N-CA 122.914 0.485 . . . . 0.0 111.731 -175.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.824 HG11 HD22 ' A' ' 3' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.446 -0.628 0 CA-C-O 121.086 0.47 . . . . 0.0 111.04 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -123.9 91.46 3.47 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 179.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.8 m -106.56 139.04 29.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.505 -173.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.728 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 10.5 mp -99.96 115.09 28.87 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.62 176.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 13.6 t -132.11 -179.64 5.54 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.519 -172.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.545 HD11 HH21 ' A' ' 8' ' ' ARG . 31.5 mt -94.77 125.49 47.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.832 -179.635 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.592 ' SG ' ' HB3' ' A' ' 57' ' ' ASP . 17.3 p -82.3 175.21 10.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.294 175.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -56.17 -45.52 79.67 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.045 0.45 . . . . 0.0 109.997 178.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.592 ' HB3' ' SG ' ' A' ' 55' ' ' CYS . 4.4 t70 -57.54 -49.37 76.55 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.219 -0.9 . . . . 0.0 112.061 179.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 92.2 m -73.34 -35.14 65.98 Favored 'General case' 0 C--O 1.218 -0.587 0 C-N-CA 120.368 -0.533 . . . . 0.0 111.067 -176.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.79 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 0.2 OUTLIER -55.72 -38.31 69.57 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-O 121.178 0.513 . . . . 0.0 109.884 170.746 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -76.97 -33.24 57.65 Favored 'General case' 0 N--CA 1.428 -1.549 0 O-C-N 121.022 -1.049 . . . . 0.0 111.394 178.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.23 -30.3 62.18 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 122.081 0.943 . . . . 0.0 108.616 167.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.79 ' HB2' ' O ' ' A' ' 59' ' ' GLN . 0.1 OUTLIER -77.06 -59.18 2.89 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 113.737 -1.574 . . . . 0.0 111.469 -178.765 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.9 t70 . . . . . 0 C--N 1.32 -0.707 0 CA-C-N 115.142 -0.935 . . . . 0.0 112.316 -173.525 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.471 ' HA ' ' HB ' ' A' ' 49' ' ' VAL . 7.7 mp . . . . . 0 N--CA 1.451 -0.382 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.608 ' HB2' ' O ' ' A' ' 49' ' ' VAL . 67.3 m170 -95.17 121.99 37.39 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 178.526 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.544 ' CD2' HG21 ' A' ' 53' ' ' THR . 4.2 m-30 -95.55 123.88 39.31 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 115.219 -0.901 . . . . 0.0 110.518 -176.46 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.546 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 70.9 m-85 -128.34 134.43 48.87 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 174.24 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.637 ' HB3' ' HB2' ' A' ' 10' ' ' CYS . 11.8 t -80.19 135.98 36.39 Favored 'General case' 0 CA--C 1.506 -0.724 0 CA-C-O 121.57 0.7 . . . . 0.0 112.684 -172.012 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.2 ppt_? -67.7 123.05 19.42 Favored 'General case' 0 N--CA 1.436 -1.14 0 CA-C-N 114.692 -1.14 . . . . 0.0 108.884 171.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 20.3 t-80 85.49 -7.65 0.84 Allowed 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.585 -1.188 . . . . 0.0 111.292 172.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.637 ' HB2' ' HB3' ' A' ' 7' ' ' CYS . 62.6 m -116.13 -41.86 3.12 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.152 0.501 . . . . 0.0 110.619 175.603 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 84.88 -4.83 84.45 Favored Glycine 0 N--CA 1.444 -0.803 0 C-N-CA 120.714 -0.755 . . . . 0.0 111.825 -174.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.608 HG12 ' HB2' ' A' ' 10' ' ' CYS . 2.1 p -63.19 131.9 28.85 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.504 0 CA-C-O 121.462 0.649 . . . . 0.0 111.962 -177.544 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.536 ' H ' ' HD2' ' A' ' 13' ' ' LYS . 2.1 mptp? -76.41 95.71 3.88 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 114.336 -1.302 . . . . 0.0 108.82 179.267 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -73.92 -37.4 47.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.593 -0.731 . . . . 0.0 111.034 -171.403 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.529 ' N ' ' HB2' ' A' ' 5' ' ' TYR . . . . . . . . 0 N--CA 1.452 -0.245 0 C-N-CA 120.444 -0.884 . . . . 0.0 112.754 -175.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.515 HG23 ' HG2' ' A' ' 35' ' ' GLU . 7.3 t . . . . . 0 N--CA 1.451 -0.384 0 CA-C-O 120.969 0.414 . . . . 0.0 111.513 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 24.4 p-10 -55.5 -52.49 63.5 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.827 -175.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.515 ' HG2' HG23 ' A' ' 33' ' ' THR . 13.1 pt-20 -64.31 -24.88 67.81 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.693 0.283 . . . . 0.0 111.145 -178.166 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.475 ' HG2' HG22 ' A' ' 33' ' ' THR . 34.7 mm-40 -76.67 -30.75 56.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.287 0.565 . . . . 0.0 110.319 177.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.493 ' HG3' ' O ' ' A' ' 33' ' ' THR . 88.2 mtt180 -84.57 -43.04 14.85 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.045 -178.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 19.3 m120 -76.67 -33.6 58.27 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -174.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -75.91 -45.66 34.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.016 0.436 . . . . 0.0 110.467 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 C--N 1.325 -0.491 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.859 179.095 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.608 ' O ' ' HB2' ' A' ' 4' ' ' HIS . 10.5 m . . . . . 0 N--CA 1.441 -0.888 0 CA-C-O 121.72 0.771 . . . . 0.0 110.845 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 36.3 t-80 -124.06 91.41 3.45 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.096 -177.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.8 m -112.1 126.85 69.54 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.802 -177.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.546 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 3.2 mm? -92.55 114.85 27.51 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.348 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.544 HG21 ' CD2' ' A' ' 5' ' ' TYR . 13.7 t -133.02 -171.04 2.58 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.568 -173.613 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.418 HD13 HD22 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -103.61 127.03 58.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.236 0.541 . . . . 0.0 111.059 -178.528 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 22.3 p -76.11 169.3 18.45 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.953 -179.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 -53.82 -42.13 68.09 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.953 0.406 . . . . 0.0 110.253 178.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -61.42 -48.38 81.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.029 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.445 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 30.5 m -61.91 -52.85 62.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.761 176.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -54.68 -34.21 61.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.642 -179.7 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -68.44 -46.17 70.56 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 111.79 0.293 . . . . 0.0 111.79 -179.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.41 -33.4 75.62 Favored 'General case' 0 CA--C 1.512 -0.511 0 CA-C-O 122.194 0.997 . . . . 0.0 108.531 178.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.445 ' HB2' ' O ' ' A' ' 58' ' ' CYS . 0.4 OUTLIER -65.08 -57.95 7.31 Favored 'General case' 0 N--CA 1.437 -1.076 0 CA-C-N 113.119 -1.855 . . . . 0.0 111.941 178.857 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.8 t70 . . . . . 0 C--N 1.32 -0.69 0 CA-C-N 114.579 -1.191 . . . . 0.0 111.268 -179.382 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.496 ' HA ' ' CG2' ' A' ' 49' ' ' VAL . 6.1 mp . . . . . 0 CA--C 1.514 -0.407 0 CA-C-O 121.034 0.445 . . . . 0.0 110.933 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 -95.39 122.52 38.19 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.514 177.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.62 ' HB2' ' N ' ' A' ' 15' ' ' GLY . 5.7 m-30 -95.46 128.13 42.07 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.443 -179.199 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.437 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 83.6 m-85 -130.65 135.79 48.2 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 173.63 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.624 ' HB3' ' HB2' ' A' ' 10' ' ' CYS . 35.0 t -79.81 138.33 37.2 Favored 'General case' 0 CA--C 1.511 -0.528 0 CA-C-O 121.894 0.854 . . . . 0.0 113.254 -170.448 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.51 ' O ' ' HB3' ' A' ' 9' ' ' HIS . 40.3 ttp85 -55.31 116.37 2.79 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 113.578 -1.646 . . . . 0.0 109.567 166.501 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.51 ' HB3' ' O ' ' A' ' 8' ' ' ARG . 14.1 t-160 85.26 -49.24 0.08 Allowed 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.822 0.849 . . . . 0.0 111.315 173.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.624 ' HB2' ' HB3' ' A' ' 7' ' ' CYS . 62.5 m -70.51 -40.17 73.68 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.23 0.538 . . . . 0.0 110.839 179.087 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 78.74 4.83 88.32 Favored Glycine 0 N--CA 1.447 -0.57 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.654 -174.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.605 HG12 ' HB2' ' A' ' 10' ' ' CYS . 2.6 p -71.43 135.55 27.72 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.619 0 CA-C-O 121.317 0.58 . . . . 0.0 112.127 -176.461 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.611 ' H ' ' HD3' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -72.99 94.12 1.83 Allowed 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 114.889 -1.051 . . . . 0.0 109.381 179.072 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -73.33 -21.9 19.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.139 0.495 . . . . 0.0 110.028 -176.779 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.62 ' N ' ' HB2' ' A' ' 5' ' ' TYR . . . . . . . . 0 N--CA 1.447 -0.592 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.776 -176.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 N--CA 1.446 -0.646 0 N-CA-C 112.651 0.611 . . . . 0.0 112.651 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 25.7 m-80 -59.64 -39.93 86.0 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.67 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -61.29 -25.99 67.48 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.645 -177.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -71.32 -45.62 62.57 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 120.901 0.382 . . . . 0.0 110.4 179.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -76.29 -26.43 55.88 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-O 120.89 0.376 . . . . 0.0 111.092 -178.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -72.36 -39.13 68.31 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 175.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -78.25 -58.12 3.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.756 0.312 . . . . 0.0 111.715 -179.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 43.5 ttp . . . . . 0 C--N 1.324 -0.517 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.92 -173.965 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.496 ' CG2' ' HA ' ' A' ' 3' ' ' LEU . 1.5 m . . . . . 0 N--CA 1.446 -0.638 0 CA-C-O 121.609 0.718 . . . . 0.0 111.287 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -119.69 103.33 9.29 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.437 -177.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.6 m -119.22 142.33 34.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.126 0.489 . . . . 0.0 111.515 -177.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.437 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 84.8 mt -103.24 133.48 48.26 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.668 177.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.534 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 14.6 t -152.51 179.65 8.39 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.155 -177.278 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -91.56 128.91 42.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.186 179.077 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 20.6 p -73.04 162.97 28.84 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.907 178.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -53.77 -39.82 65.73 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.968 0.413 . . . . 0.0 110.35 -178.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -63.44 -46.7 85.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.206 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.639 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 11.0 m -57.69 -50.39 73.36 Favored 'General case' 0 C--O 1.223 -0.329 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 174.442 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -51.78 -43.86 63.18 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.242 176.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -67.81 -46.42 71.94 Favored 'General case' 0 N--CA 1.436 -1.16 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.864 -177.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.57 -32.62 73.5 Favored 'General case' 0 CA--C 1.504 -0.813 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 -178.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.639 ' HB2' ' O ' ' A' ' 58' ' ' CYS . 0.6 OUTLIER -60.69 -56.61 19.2 Favored 'General case' 0 N--CA 1.431 -1.379 0 CA-C-N 113.838 -1.528 . . . . 0.0 111.675 179.035 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 30.1 t70 . . . . . 0 C--N 1.322 -0.628 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.008 -179.545 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.418 ' HA ' ' CG2' ' A' ' 49' ' ' VAL . 6.5 mp . . . . . 0 CA--C 1.511 -0.528 0 N-CA-C 108.717 -0.845 . . . . 0.0 108.717 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 50.1 m80 -88.31 121.41 30.68 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-O 121.359 0.6 . . . . 0.0 109.426 178.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.546 ' CD1' HG21 ' A' ' 53' ' ' THR . 2.8 m-30 -93.42 117.62 30.3 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-N 114.917 -1.038 . . . . 0.0 109.972 -178.678 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -121.44 143.94 48.96 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-O 121.441 0.639 . . . . 0.0 109.955 174.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.655 ' HB3' ' O ' ' A' ' 12' ' ' VAL . 0.0 OUTLIER -81.58 121.56 26.47 Favored 'General case' 0 N--CA 1.434 -1.228 0 CA-C-N 114.988 -1.006 . . . . 0.0 111.988 -172.555 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.513 ' HG2' ' O ' ' A' ' 53' ' ' THR . 5.6 ptm180 -61.3 125.14 22.68 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 114.331 -1.304 . . . . 0.0 109.975 166.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 21.0 t60 86.57 -59.62 0.05 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.122 -0.945 . . . . 0.0 113.12 168.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -81.32 -22.16 38.7 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 119.658 -0.817 . . . . 0.0 110.714 -172.235 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.435 ' N ' ' SG ' ' A' ' 7' ' ' CYS . . . 84.14 22.39 54.86 Favored Glycine 0 C--N 1.332 0.332 0 C-N-CA 121.229 -0.51 . . . . 0.0 114.315 172.293 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.655 ' O ' ' HB3' ' A' ' 7' ' ' CYS . 2.0 p -94.25 137.35 23.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 117.83 0.815 . . . . 0.0 112.22 179.466 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.541 ' H ' ' HD2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -79.75 107.32 12.43 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.628 -178.83 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -93.6 -5.09 10.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.647 -175.63 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.443 ' HA3' ' H ' ' A' ' 5' ' ' TYR . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.457 -0.878 . . . . 0.0 112.683 -177.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.534 ' O ' ' HB3' ' A' ' 36' ' ' GLU . 51.5 m . . . . . 0 CA--C 1.533 0.307 0 CA-C-O 120.68 0.276 . . . . 0.0 111.038 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -81.48 -24.24 36.87 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 173.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -67.5 -42.44 82.85 Favored 'General case' 0 C--O 1.215 -0.74 0 CA-C-N 114.087 -1.415 . . . . 0.0 108.561 173.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.534 ' HB3' ' O ' ' A' ' 33' ' ' THR . 5.9 tp10 -48.63 -43.34 36.36 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.031 -1.44 . . . . 0.0 110.488 175.614 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -66.68 -43.5 84.27 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.354 -179.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -78.34 -42.69 29.85 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -176.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -70.12 -27.95 64.99 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.819 -175.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 31.4 tpp . . . . . 0 C--N 1.324 -0.541 0 CA-C-O 121.489 0.661 . . . . 0.0 110.596 -179.95 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.418 ' CG2' ' HA ' ' A' ' 3' ' ' LEU . 2.7 m . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 121.195 0.522 . . . . 0.0 110.989 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -125.2 106.6 10.01 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.493 -176.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 10.1 m -120.04 137.5 53.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.124 0.488 . . . . 0.0 111.583 -177.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -93.98 114.46 26.65 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.366 176.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.546 HG21 ' CD1' ' A' ' 5' ' ' TYR . 14.8 t -125.64 172.93 9.35 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 120.955 0.407 . . . . 0.0 110.666 -175.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.477 HG13 ' HD3' ' A' ' 8' ' ' ARG . 6.7 mt -85.43 112.78 22.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.024 178.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.457 ' HB3' ' HB2' ' A' ' 7' ' ' CYS . 7.4 p -77.8 177.67 7.99 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 174.056 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -66.1 -31.38 72.21 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 118.639 0.654 . . . . 0.0 110.769 179.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -70.75 -36.38 73.11 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 176.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.412 ' SG ' ' O ' ' A' ' 8' ' ' ARG . 54.0 m -60.69 -51.22 70.28 Favored 'General case' 0 C--O 1.226 -0.147 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 172.061 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 22.6 tp60 -50.86 -35.3 31.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.367 -1.288 . . . . 0.0 111.422 176.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -76.45 -41.03 48.85 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.28 -179.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.6 -31.08 70.26 Favored 'General case' 0 CA--C 1.508 -0.653 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 175.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.2 mp -69.99 -60.02 2.56 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 113.58 -1.646 . . . . 0.0 111.26 177.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.0 t70 . . . . . 0 C--N 1.314 -0.972 0 CA-C-N 113.97 -1.468 . . . . 0.0 112.199 -178.397 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.494 HD12 ' N ' ' A' ' 3' ' ' LEU . 1.1 mp . . . . . 0 CA--C 1.513 -0.452 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.519 ' O ' ' HB ' ' A' ' 51' ' ' VAL . 83.2 m-70 -111.74 130.84 55.66 Favored 'General case' 0 C--N 1.309 -1.178 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.111 -173.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.59 ' CD2' HG21 ' A' ' 53' ' ' THR . 3.8 m-85 -101.56 106.21 17.26 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.28 -172.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -116.19 137.29 52.26 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 115.1 -0.954 . . . . 0.0 108.931 172.039 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.483 ' HA ' ' O ' ' A' ' 53' ' ' THR . 1.4 t -73.44 128.42 35.45 Favored 'General case' 0 C--N 1.309 -1.176 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.08 -177.214 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -78.83 120.57 23.64 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.052 164.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 47.4 t-80 103.24 -64.13 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 125.25 1.42 . . . . 0.0 112.384 175.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -81.2 -18.02 47.6 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 119.915 -0.714 . . . . 0.0 110.463 -174.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 75.81 18.66 79.5 Favored Glycine 0 C--N 1.34 0.783 0 C-N-CA 120.834 -0.698 . . . . 0.0 113.631 172.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.6 p -93.82 142.84 12.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 121.522 0.677 . . . . 0.0 112.047 179.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 32.8 mtmm -81.84 112.48 19.01 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.213 179.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -89.83 -16.78 8.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -171.36 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.602 0 C-N-CA 120.086 -1.054 . . . . 0.0 111.945 -177.121 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 N--CA 1.441 -0.895 0 N-CA-C 106.52 -1.659 . . . . 0.0 106.52 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -50.51 -47.2 57.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 118.446 0.566 . . . . 0.0 111.604 -178.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -70.7 -39.61 73.34 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.933 -176.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -75.75 -28.99 58.7 Favored 'General case' 0 C--O 1.223 -0.338 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 -176.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 53.8 ttp180 -56.54 -45.62 81.08 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.886 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -79.24 -38.31 35.91 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.394 179.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -76.61 -40.84 48.12 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.087 0.402 . . . . 0.0 112.087 -173.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 87.7 mmm . . . . . 0 C--N 1.322 -0.596 0 N-CA-C 111.851 0.315 . . . . 0.0 111.851 -175.734 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.482 ' CG2' ' HG ' ' A' ' 3' ' ' LEU . 4.0 t . . . . . 0 C--O 1.223 -0.335 0 CA-C-O 120.38 0.134 . . . . 0.0 111.17 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 12.9 t60 -73.74 114.75 12.37 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 177.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.519 ' HB ' ' O ' ' A' ' 4' ' ' HIS . 14.5 t -127.91 126.2 66.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.791 -168.261 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.1 mt -95.42 109.3 21.5 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 173.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.59 HG21 ' CD2' ' A' ' 5' ' ' TYR . 8.2 t -123.22 160.21 27.06 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.157 -174.342 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.45 HD13 HD11 ' A' ' 62' ' ' LEU . 1.5 mt -86.62 113.89 25.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-O 121.593 0.711 . . . . 0.0 109.875 179.04 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 5.3 p -78.84 164.09 24.77 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 114.896 -1.047 . . . . 0.0 108.783 177.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.45 ' HA ' ' HB3' ' A' ' 59' ' ' GLN . 31.7 tt0 -50.2 -37.05 33.3 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -173.579 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -58.95 -49.45 77.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.522 0.201 . . . . 0.0 111.526 -178.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -74.52 -34.09 62.93 Favored 'General case' 0 C--O 1.218 -0.598 0 C-N-CA 120.435 -0.506 . . . . 0.0 109.723 178.57 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.755 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 24.2 tp60 -56.25 -35.54 67.51 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 122.982 0.513 . . . . 0.0 112.299 173.062 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -78.2 -39.9 39.2 Favored 'General case' 0 C--N 1.315 -0.901 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.756 176.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -52.93 -31.36 39.72 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 122.308 1.051 . . . . 0.0 109.082 168.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.755 ' HB2' ' O ' ' A' ' 59' ' ' GLN . 0.2 OUTLIER -71.19 -60.82 2.02 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 113.424 -1.716 . . . . 0.0 111.36 -179.759 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.3 t70 . . . . . 0 C--N 1.322 -0.588 0 CA-C-N 114.62 -1.173 . . . . 0.0 111.59 -173.089 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.481 ' HA ' ' HB ' ' A' ' 49' ' ' VAL . 5.7 mp . . . . . 0 CA--C 1.516 -0.346 0 N-CA-C 109.19 -0.671 . . . . 0.0 109.19 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.469 ' HB2' ' O ' ' A' ' 49' ' ' VAL . 27.2 m170 -111.41 121.63 45.72 Favored 'General case' 0 CA--C 1.5 -0.966 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 -173.785 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.714 ' HB2' ' N ' ' A' ' 15' ' ' GLY . 3.0 m-30 -99.53 128.73 45.65 Favored 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.124 -177.196 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.488 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 78.6 m-85 -130.29 124.28 32.0 Favored 'General case' 0 C--N 1.313 -0.99 0 N-CA-C 107.518 -1.29 . . . . 0.0 107.518 174.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.644 ' HB3' ' HB2' ' A' ' 10' ' ' CYS . 42.4 t -73.28 142.94 47.18 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 113.653 0.983 . . . . 0.0 113.653 -164.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.477 ' O ' ' HB3' ' A' ' 9' ' ' HIS . 16.9 ttp85 -58.18 114.86 2.58 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 113.654 -1.612 . . . . 0.0 109.627 167.64 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.477 ' HB3' ' O ' ' A' ' 8' ' ' ARG . 16.2 t-80 84.0 -27.43 0.1 Allowed 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.789 0.835 . . . . 0.0 112.283 172.49 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.659 ' HB2' HG12 ' A' ' 12' ' ' VAL . 60.7 m -94.44 -32.91 13.33 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.254 0.55 . . . . 0.0 110.901 178.198 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 73.07 0.73 53.79 Favored Glycine 0 N--CA 1.446 -0.688 0 CA-C-N 115.498 -0.774 . . . . 0.0 112.053 -173.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.659 HG12 ' HB2' ' A' ' 10' ' ' CYS . 3.2 p -69.2 136.69 25.78 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 CA-C-O 121.456 0.646 . . . . 0.0 112.091 -174.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.525 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 50.9 mttm -75.79 95.12 3.4 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.682 -1.145 . . . . 0.0 110.035 -177.277 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -81.46 -12.91 12.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.522 -177.684 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.714 ' N ' ' HB2' ' A' ' 5' ' ' TYR . . . . . . . . 0 N--CA 1.449 -0.453 0 C-N-CA 120.932 -0.651 . . . . 0.0 111.73 -176.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 41.4 p . . . . . 0 N--CA 1.446 -0.667 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 10.4 p30 -58.63 -26.73 64.02 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.214 0.531 . . . . 0.0 109.866 173.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -76.34 -54.67 6.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.436 -178.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -65.7 -32.21 73.64 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.153 -0.93 . . . . 0.0 111.589 -172.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -73.16 -24.5 60.58 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-O 121.08 0.467 . . . . 0.0 110.665 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -74.22 -52.2 13.1 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.428 -178.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -78.54 -30.36 46.91 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.041 -175.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 24.6 mmt . . . . . 0 C--N 1.322 -0.591 0 C-N-CA 121.22 -0.192 . . . . 0.0 111.374 -179.371 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.481 ' HB ' ' HA ' ' A' ' 3' ' ' LEU . 2.1 m . . . . . 0 N--CA 1.44 -0.938 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -110.83 97.68 7.02 Favored 'General case' 0 C--N 1.319 -0.717 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.453 ' HB ' ' O ' ' A' ' 4' ' ' HIS . 71.8 t -113.86 120.49 63.83 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.262 0 CA-C-N 114.856 -1.065 . . . . 0.0 111.257 -167.289 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.488 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 57.7 mt -95.96 130.87 42.82 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 176.447 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.507 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 13.8 t -155.29 -176.23 5.84 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 -177.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.403 HG23 ' HB2' ' A' ' 58' ' ' CYS . 0.6 OUTLIER -95.01 127.76 46.72 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-O 121.106 0.479 . . . . 0.0 111.073 -178.342 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.685 ' SG ' ' HB3' ' A' ' 57' ' ' ASP . 18.8 p -74.19 164.5 26.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.904 176.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.424 ' HA ' ' HB3' ' A' ' 59' ' ' GLN . 35.3 tt0 -54.94 -38.78 68.13 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.794 0.33 . . . . 0.0 110.389 178.738 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.685 ' HB3' ' SG ' ' A' ' 55' ' ' CYS . 14.5 t70 -55.89 -49.8 72.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 176.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.403 ' HB2' HG23 ' A' ' 54' ' ' ILE . 57.7 m -66.25 -43.96 85.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.12 0.486 . . . . 0.0 110.626 176.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.424 ' HB3' ' HA ' ' A' ' 56' ' ' GLU . 50.7 tp60 -50.98 -35.71 35.25 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.033 -0.985 . . . . 0.0 111.37 175.637 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -73.94 -39.84 63.49 Favored 'General case' 0 N--CA 1.438 -1.066 0 CA-C-N 116.051 -0.522 . . . . 0.0 112.015 -179.275 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.06 -32.86 74.79 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 122.147 0.975 . . . . 0.0 108.454 176.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.3 mp -62.39 -59.7 4.61 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-N 113.444 -1.707 . . . . 0.0 111.691 178.383 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.8 t70 . . . . . 0 C--N 1.313 -1.017 0 CA-C-N 114.382 -1.281 . . . . 0.0 111.294 179.355 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.423 ' HA ' ' CB ' ' A' ' 49' ' ' VAL . 6.5 mp . . . . . 0 CA--C 1.52 -0.193 0 CA-C-O 120.912 0.387 . . . . 0.0 110.453 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.61 ' HB2' ' O ' ' A' ' 49' ' ' VAL . 42.1 m170 -101.52 125.75 48.22 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.039 178.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.706 ' HB2' ' N ' ' A' ' 15' ' ' GLY . 10.0 m-30 -91.9 133.63 35.5 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.178 -177.245 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.586 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 89.2 m-85 -133.38 126.2 30.79 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 173.296 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.678 ' HB3' ' HB2' ' A' ' 10' ' ' CYS . 9.9 t -75.11 139.81 43.0 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 114.063 1.134 . . . . 0.0 114.063 -166.228 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.53 117.97 8.14 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 113.116 -1.856 . . . . 0.0 109.634 169.171 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 24.4 t-80 80.59 6.16 1.54 Allowed 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 115.327 -0.852 . . . . 0.0 111.19 171.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.678 ' HB2' ' HB3' ' A' ' 7' ' ' CYS . 61.0 m -129.08 -38.56 1.61 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.944 0.402 . . . . 0.0 111.378 177.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 80.66 -1.67 82.02 Favored Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.787 -0.72 . . . . 0.0 111.999 -175.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.59 HG12 ' CB ' ' A' ' 10' ' ' CYS . 1.6 p -71.85 131.37 34.72 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.447 0 CA-C-O 121.392 0.615 . . . . 0.0 112.113 -177.567 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.0 mtpm? -72.36 95.37 1.73 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.703 -1.135 . . . . 0.0 109.437 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -80.06 -12.86 13.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 121.132 0.491 . . . . 0.0 110.46 -176.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.706 ' N ' ' HB2' ' A' ' 5' ' ' TYR . . . . . . . . 0 N--CA 1.442 -0.952 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.375 -179.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.7 t . . . . . 0 N--CA 1.473 0.722 0 N-CA-C 114.37 1.248 . . . . 0.0 114.37 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -54.32 -32.58 56.94 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 118.809 0.732 . . . . 0.0 111.682 -178.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -77.01 -51.47 11.04 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.035 176.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -50.78 -52.64 38.92 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.109 -0.95 . . . . 0.0 111.871 177.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -57.72 -42.08 83.1 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.058 -0.973 . . . . 0.0 111.441 -174.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -78.25 -43.54 27.97 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.232 -177.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -78.69 -61.41 2.02 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -169.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 26.2 ttt . . . . . 0 C--N 1.328 -0.332 0 N-CA-C 113.922 1.082 . . . . 0.0 113.922 -170.85 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.61 ' O ' ' HB2' ' A' ' 4' ' ' HIS . 5.1 m . . . . . 0 N--CA 1.44 -0.963 0 CA-C-O 121.587 0.708 . . . . 0.0 110.839 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -126.32 93.28 3.76 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.36 -178.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 12.5 m -110.87 134.52 52.89 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.251 -177.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.586 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 85.7 mt -85.57 121.63 28.54 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 175.528 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.505 HG21 ' CD2' ' A' ' 5' ' ' TYR . 14.7 t -142.62 -172.29 3.6 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.455 -175.63 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.536 HD13 HD11 ' A' ' 62' ' ' LEU . 1.1 mp -101.99 127.4 55.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 120.952 0.405 . . . . 0.0 111.751 -175.007 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.517 ' SG ' ' HB3' ' A' ' 57' ' ' ASP . 20.6 p -82.81 176.54 9.23 Favored 'General case' 0 N--CA 1.46 0.048 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.341 176.315 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -59.03 -41.85 88.78 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.111 0.481 . . . . 0.0 110.534 178.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.517 ' HB3' ' SG ' ' A' ' 55' ' ' CYS . 17.4 t70 -59.28 -42.23 90.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.882 178.013 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.506 ' HB2' HG23 ' A' ' 54' ' ' ILE . 64.4 m -74.54 -37.1 63.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.029 179.16 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.76 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 25.3 tm0? -54.83 -30.29 57.02 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.945 177.281 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -70.38 -48.73 54.88 Favored 'General case' 0 N--CA 1.433 -1.316 0 O-C-N 121.897 -0.502 . . . . 0.0 111.916 177.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.81 -33.49 61.63 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 122.356 1.074 . . . . 0.0 108.828 172.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.76 ' HB2' ' O ' ' A' ' 59' ' ' GLN . 0.2 OUTLIER -63.52 -61.83 2.07 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 113.338 -1.755 . . . . 0.0 112.367 178.02 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.8 t70 . . . . . 0 C--N 1.322 -0.624 0 CA-C-N 115.061 -0.972 . . . . 0.0 112.562 -173.019 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.51 ' HA ' ' HB ' ' A' ' 49' ' ' VAL . 3.9 mp . . . . . 0 CA--C 1.514 -0.419 0 CA-C-O 121.158 0.504 . . . . 0.0 110.091 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -93.21 126.66 38.44 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.202 178.18 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.686 ' HB2' ' N ' ' A' ' 15' ' ' GLY . 9.3 m-30 -96.42 131.01 43.43 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-N 114.988 -1.006 . . . . 0.0 109.766 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.682 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 96.7 m-85 -129.14 132.23 47.32 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 171.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.474 ' HA ' ' O ' ' A' ' 53' ' ' THR . 13.5 t -84.59 145.96 27.76 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 113.808 1.04 . . . . 0.0 113.808 -167.39 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.503 ' O ' ' HG3' ' A' ' 8' ' ' ARG . 17.5 ptt180 -71.27 123.03 21.32 Favored 'General case' 0 N--CA 1.437 -1.112 0 CA-C-N 113.911 -1.495 . . . . 0.0 108.709 169.159 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 17.7 t60 80.6 -45.5 0.25 Allowed 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.514 -0.766 . . . . 0.0 112.152 170.152 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.565 ' HB2' HG12 ' A' ' 12' ' ' VAL . 33.5 m -69.82 -37.77 76.35 Favored 'General case' 0 N--CA 1.462 0.171 0 N-CA-C 109.001 -0.741 . . . . 0.0 109.001 175.709 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 79.46 14.4 81.44 Favored Glycine 0 C--N 1.335 0.481 0 CA-C-N 115.364 -0.835 . . . . 0.0 112.343 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.565 HG12 ' HB2' ' A' ' 10' ' ' CYS . 0.4 OUTLIER -96.64 138.57 21.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.187 0.517 . . . . 0.0 112.322 -175.516 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.544 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -78.76 95.2 5.27 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.818 176.468 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.565 HG11 ' HA ' ' A' ' 55' ' ' CYS . 0.0 OUTLIER -76.22 -12.84 14.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.787 -177.271 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.686 ' N ' ' HB2' ' A' ' 5' ' ' TYR . . . . . . . . 0 N--CA 1.448 -0.511 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.158 -177.054 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.4 m . . . . . 0 N--CA 1.441 -0.889 0 N-CA-C 106.945 -1.502 . . . . 0.0 106.945 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 12.5 p30 -43.55 -38.12 2.8 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 118.433 0.56 . . . . 0.0 112.309 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -67.13 -32.85 74.25 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 -178.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -65.71 -34.55 78.45 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-N 118.205 0.457 . . . . 0.0 110.281 -175.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.8 ttt180 -71.82 -38.13 70.23 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-N 115.575 -0.738 . . . . 0.0 111.056 -179.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -78.28 -38.07 43.49 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.134 -179.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -78.35 -57.84 3.57 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.654 -174.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 88.0 mtp . . . . . 0 C--N 1.325 -0.487 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -173.725 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.51 ' HB ' ' HA ' ' A' ' 3' ' ' LEU . 14.6 m . . . . . 0 N--CA 1.438 -1.052 0 CA-C-O 121.876 0.846 . . . . 0.0 111.048 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 10.9 t60 -133.42 102.26 5.46 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.096 -0.956 . . . . 0.0 108.968 -178.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 22.3 m -119.91 142.15 36.81 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.778 -176.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.682 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 21.9 mt -101.55 132.27 47.28 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 176.431 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.474 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 15.1 t -152.98 -170.69 3.7 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.427 -174.557 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.454 HG12 ' SG ' ' A' ' 58' ' ' CYS . 0.3 OUTLIER -113.5 138.36 43.41 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 C-N-CA 122.897 0.479 . . . . 0.0 111.022 -174.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.565 ' HA ' HG11 ' A' ' 14' ' ' VAL . 3.2 m -72.6 -170.73 0.71 Allowed 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 123.23 0.612 . . . . 0.0 110.724 -178.449 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -78.72 -29.7 45.49 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 171.23 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.91 -50.48 34.42 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 113.831 -1.531 . . . . 0.0 112.072 -175.022 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.551 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 1.8 p -74.83 -34.8 62.4 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 122.278 -0.264 . . . . 0.0 110.61 -178.436 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.05 -34.72 72.27 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 121.211 0.529 . . . . 0.0 110.067 178.028 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -68.75 -49.22 60.51 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.578 -177.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.33 -29.85 71.09 Favored 'General case' 0 CA--C 1.51 -0.573 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 177.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.551 ' HB2' ' O ' ' A' ' 58' ' ' CYS . 0.3 OUTLIER -69.0 -59.11 3.27 Favored 'General case' 0 N--CA 1.432 -1.327 0 CA-C-N 113.758 -1.565 . . . . 0.0 111.609 -179.182 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.0 t70 . . . . . 0 C--N 1.318 -0.766 0 CA-C-N 114.995 -1.002 . . . . 0.0 111.353 -176.476 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.538 ' CB ' ' HB ' ' A' ' 49' ' ' VAL . 1.9 mp . . . . . 0 CA--C 1.515 -0.373 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.591 ' HB3' ' CE1' ' A' ' 6' ' ' TYR . 1.5 m80 -123.07 122.0 37.42 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-O 121.583 0.706 . . . . 0.0 110.326 172.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.591 ' HB2' ' N ' ' A' ' 15' ' ' GLY . 7.2 m-85 -98.33 119.59 37.27 Favored 'General case' 0 C--N 1.302 -1.479 0 CA-C-N 114.203 -1.362 . . . . 0.0 109.407 179.042 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.591 ' CE1' ' HB3' ' A' ' 4' ' ' HIS . 93.7 m-85 -126.32 141.72 51.8 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 175.278 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.481 ' HB2' HG13 ' A' ' 12' ' ' VAL . 6.6 t -86.76 128.66 35.03 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 119.438 -0.905 . . . . 0.0 112.889 -172.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.464 ' O ' ' HB3' ' A' ' 9' ' ' HIS . 3.9 ptm180 -57.85 118.32 5.21 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 114.37 -1.287 . . . . 0.0 110.539 170.286 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.464 ' HB3' ' O ' ' A' ' 8' ' ' ARG . 38.2 t-80 88.57 -28.53 0.05 OUTLIER 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.737 169.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.665 ' HB2' HG12 ' A' ' 12' ' ' VAL . 11.2 m -95.53 -32.02 13.05 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.207 0.527 . . . . 0.0 110.728 178.115 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 76.39 6.91 84.71 Favored Glycine 0 N--CA 1.451 -0.362 0 CA-C-N 115.659 -0.7 . . . . 0.0 112.611 -179.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.665 HG12 ' HB2' ' A' ' 10' ' ' CYS . 2.0 p -76.53 137.86 21.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.999 0.428 . . . . 0.0 111.404 -177.306 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -82.79 97.51 8.64 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.111 -177.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -76.05 -27.24 17.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.84 -176.695 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.591 ' N ' ' HB2' ' A' ' 5' ' ' TYR . . . . . . . . 0 N--CA 1.446 -0.692 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.718 -178.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.126 0 N-CA-C 111.602 0.223 . . . . 0.0 111.602 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 20.6 p30 -59.7 -26.57 65.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.387 177.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -68.44 -33.76 74.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.812 0.339 . . . . 0.0 110.362 177.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 45.6 mm-40 -78.79 -27.34 44.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.023 0.439 . . . . 0.0 110.301 177.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -61.92 -39.68 92.86 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.15 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -79.0 -25.78 43.33 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.947 0.403 . . . . 0.0 110.664 176.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -75.47 -57.7 3.73 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.882 -176.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 16.2 tpt . . . . . 0 C--N 1.324 -0.513 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.182 -176.297 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.538 ' HB ' ' CB ' ' A' ' 3' ' ' LEU . 25.6 t . . . . . 0 N--CA 1.45 -0.43 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 9.2 t-80 -74.82 91.95 2.47 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.581 -175.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.472 HG23 ' HA ' ' A' ' 5' ' ' TYR . 2.9 m -115.34 125.26 72.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.17 178.265 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 41.8 mt -110.99 131.72 54.81 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.733 179.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.0 t -141.23 172.21 12.99 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 -176.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.568 HG23 ' SG ' ' A' ' 58' ' ' CYS . 0.8 OUTLIER -96.67 124.59 49.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.352 0.596 . . . . 0.0 110.544 178.178 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.467 ' SG ' HG11 ' A' ' 12' ' ' VAL . 18.5 p -87.81 -171.96 3.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.258 -0.883 . . . . 0.0 111.341 -179.409 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -59.03 -53.82 54.08 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.71 -177.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -51.78 -49.73 62.09 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.697 -173.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.568 ' SG ' HG23 ' A' ' 54' ' ' ILE . 2.2 p -73.75 -48.11 34.17 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 119.57 -0.252 . . . . 0.0 111.084 -175.212 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.595 ' HA ' ' HB2' ' A' ' 62' ' ' LEU . 1.2 tm0? -48.78 -31.97 7.87 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 123.19 0.596 . . . . 0.0 111.605 176.72 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -70.76 -52.55 20.02 Favored 'General case' 0 N--CA 1.441 -0.899 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.872 -178.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.57 -31.55 66.26 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 122.243 1.021 . . . . 0.0 109.648 172.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.595 ' HB2' ' HA ' ' A' ' 59' ' ' GLN . 0.7 OUTLIER -64.07 -60.61 3.02 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 113.051 -1.886 . . . . 0.0 110.663 -179.32 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.8 t70 . . . . . 0 C--N 1.321 -0.649 0 CA-C-N 114.405 -1.27 . . . . 0.0 110.436 176.203 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.452 ' HA ' ' HB ' ' A' ' 49' ' ' VAL . 6.8 mp . . . . . 0 CA--C 1.511 -0.552 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 44.8 m80 -88.72 121.47 31.13 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 178.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.498 ' HB2' ' C ' ' A' ' 14' ' ' VAL . 4.1 m-30 -99.04 116.85 32.21 Favored 'General case' 0 C--N 1.309 -1.157 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.932 -177.529 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.503 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 85.2 m-85 -118.11 128.98 55.26 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-O 121.167 0.508 . . . . 0.0 109.961 175.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.639 ' HB3' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -81.5 116.75 21.44 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.457 0.646 . . . . 0.0 112.615 -168.329 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.02 113.03 0.82 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 113.963 -1.471 . . . . 0.0 111.9 -177.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 63.8 t60 63.14 23.93 14.16 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 122.196 0.998 . . . . 0.0 109.699 171.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.639 ' HB3' ' HB3' ' A' ' 7' ' ' CYS . 37.1 t -128.64 -24.38 3.02 Favored 'General case' 0 N--CA 1.438 -1.045 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.372 -169.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 80.1 4.5 89.74 Favored Glycine 0 C--N 1.333 0.38 0 C-N-CA 120.913 -0.661 . . . . 0.0 114.646 168.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.552 HG12 ' SG ' ' A' ' 10' ' ' CYS . 2.0 p -107.51 144.96 15.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 117.277 0.538 . . . . 0.0 110.998 179.705 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.2 mtmm -96.19 110.54 22.81 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.943 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.498 ' C ' ' HB2' ' A' ' 5' ' ' TYR . 0.1 OUTLIER -99.47 12.96 5.49 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.392 -177.633 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.474 ' N ' ' HB2' ' A' ' 5' ' ' TYR . . . . . . . . 0 N--CA 1.447 -0.625 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.719 178.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.468 ' O ' ' HB3' ' A' ' 36' ' ' GLU . 17.4 m . . . . . 0 CA--C 1.53 0.206 0 CA-C-O 120.635 0.255 . . . . 0.0 111.576 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.424 ' N ' HG22 ' A' ' 33' ' ' THR . 86.9 m-20 -69.0 -28.0 66.2 Favored 'General case' 0 CA--C 1.51 -0.569 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 178.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -72.37 -42.5 65.2 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.086 -1.415 . . . . 0.0 108.744 175.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.468 ' HB3' ' O ' ' A' ' 33' ' ' THR . 41.6 tt0 -52.99 -33.05 49.65 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 113.685 -1.598 . . . . 0.0 111.702 -179.345 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.423 ' O ' ' HG2' ' A' ' 40' ' ' MET . 99.1 mtt180 -62.34 -36.85 83.51 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.756 0.312 . . . . 0.0 111.131 -179.35 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -81.36 -44.32 17.76 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.157 0.503 . . . . 0.0 110.887 174.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -72.77 -11.59 60.67 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 115.762 -0.654 . . . . 0.0 112.607 -173.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.423 ' HG2' ' O ' ' A' ' 37' ' ' ARG . 27.2 ptm . . . . . 0 N--CA 1.466 0.363 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -174.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.452 ' HB ' ' HA ' ' A' ' 3' ' ' LEU . 1.3 m . . . . . 0 N--CA 1.448 -0.545 0 CA-C-O 121.08 0.467 . . . . 0.0 110.853 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 11.6 t60 -120.93 114.55 21.71 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.19 -177.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.1 m -132.4 144.2 37.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.974 0.416 . . . . 0.0 111.266 -179.188 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.503 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 85.9 mt -105.05 136.98 43.52 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.43 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 14.8 t -148.41 -171.64 3.89 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.723 -0.217 . . . . 0.0 110.761 -176.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.647 HG23 ' SG ' ' A' ' 58' ' ' CYS . 2.0 mt -132.32 113.69 21.9 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 CA-C-O 121.383 0.611 . . . . 0.0 110.964 -178.711 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 22.8 p -73.52 -176.57 2.35 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.499 175.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -59.69 -46.07 90.19 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.633 -176.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -58.78 -49.79 76.37 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 112.392 0.516 . . . . 0.0 112.392 -174.045 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.647 ' SG ' HG23 ' A' ' 54' ' ' ILE . 6.5 p -74.49 -38.59 62.82 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.007 0.432 . . . . 0.0 110.409 -178.39 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -51.95 -34.34 41.62 Favored 'General case' 0 C--O 1.226 -0.17 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.941 170.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -69.84 -44.13 70.52 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 -177.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.36 -31.56 72.41 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-O 122.367 1.079 . . . . 0.0 108.895 177.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.23 -58.58 4.2 Favored 'General case' 0 N--CA 1.438 -1.029 0 CA-C-N 113.34 -1.755 . . . . 0.0 111.88 178.719 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.1 t70 . . . . . 0 C--N 1.32 -0.71 0 CA-C-N 114.559 -1.2 . . . . 0.0 111.767 -177.375 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.441 ' HA ' ' HB ' ' A' ' 49' ' ' VAL . 6.4 mp . . . . . 0 CA--C 1.515 -0.388 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 39.1 m80 -88.35 123.05 32.54 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 177.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.715 ' HB2' ' N ' ' A' ' 15' ' ' GLY . 9.5 m-30 -98.42 125.23 43.5 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.281 -178.409 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.609 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 95.1 m-85 -125.44 134.04 52.24 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 108.885 -0.784 . . . . 0.0 108.885 173.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.689 ' HA ' ' O ' ' A' ' 53' ' ' THR . 39.5 t -83.28 144.35 29.78 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 -165.251 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.513 ' CZ ' HD11 ' A' ' 54' ' ' ILE . 32.2 ttp180 -66.45 120.77 13.94 Favored 'General case' 0 N--CA 1.44 -0.959 0 CA-C-N 113.563 -1.653 . . . . 0.0 109.63 171.442 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.484 ' HB3' ' O ' ' A' ' 8' ' ' ARG . 52.2 t60 91.47 -47.78 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 115.245 -0.889 . . . . 0.0 112.196 166.659 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.809 ' SG ' HG12 ' A' ' 12' ' ' VAL . 4.5 p -96.04 -23.06 16.98 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 119.78 -0.768 . . . . 0.0 110.682 -177.256 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 79.0 18.17 75.42 Favored Glycine 0 C--N 1.333 0.371 0 CA-C-N 115.992 -0.549 . . . . 0.0 114.182 173.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.809 HG12 ' SG ' ' A' ' 10' ' ' CYS . 7.0 p -75.39 144.68 11.76 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-N 117.605 0.702 . . . . 0.0 110.966 179.038 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.508 ' HG2' ' CD1' ' A' ' 6' ' ' TYR . 87.5 mttt -84.82 95.48 9.0 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.243 178.265 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -76.01 -22.94 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.961 -173.489 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.715 ' N ' ' HB2' ' A' ' 5' ' ' TYR . . . . . . . . 0 N--CA 1.445 -0.707 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.263 -175.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.0 m . . . . . 0 N--CA 1.445 -0.69 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 29.2 p-10 -46.6 -43.33 17.23 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 111.983 0.364 . . . . 0.0 111.983 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -63.02 -34.78 78.3 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -178.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -78.81 -29.44 44.83 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-O 120.887 0.375 . . . . 0.0 110.203 -178.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 36.4 mtm180 -67.46 -44.11 79.4 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 174.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -65.84 -30.77 71.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.643 176.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -70.39 -46.29 64.29 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.206 -177.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.235 0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.042 -179.057 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.441 ' HB ' ' HA ' ' A' ' 3' ' ' LEU . 5.1 m . . . . . 0 N--CA 1.441 -0.921 0 CA-C-O 121.555 0.693 . . . . 0.0 111.25 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -127.71 97.83 4.98 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.287 -0.87 . . . . 0.0 109.12 -177.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 17.6 m -118.05 144.33 26.39 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-O 120.946 0.403 . . . . 0.0 111.28 -175.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.609 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 38.3 mt -104.83 132.84 50.58 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.101 179.243 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.689 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 14.1 t -152.79 172.44 16.72 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 -178.164 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.513 HD11 ' CZ ' ' A' ' 8' ' ' ARG . 1.8 mt -90.81 128.77 42.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 120.781 0.324 . . . . 0.0 110.984 -178.313 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 13.8 p -82.68 171.89 13.52 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.303 178.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -56.79 -47.83 79.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 123.278 0.361 . . . . 0.0 110.904 -176.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -57.71 -46.05 84.91 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.661 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 98.2 m -70.16 -40.88 74.48 Favored 'General case' 0 C--O 1.216 -0.659 0 C-N-CA 121.02 -0.272 . . . . 0.0 110.925 -179.459 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.815 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 0.2 OUTLIER -55.94 -37.0 68.39 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 121.222 0.534 . . . . 0.0 110.431 174.197 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -75.55 -38.93 58.92 Favored 'General case' 0 N--CA 1.426 -1.648 0 O-C-N 120.785 -1.197 . . . . 0.0 110.694 178.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.88 -31.48 62.85 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 122.527 1.156 . . . . 0.0 109.207 169.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.815 ' HB2' ' O ' ' A' ' 59' ' ' GLN . 0.3 OUTLIER -68.62 -59.12 3.36 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 113.582 -1.644 . . . . 0.0 110.955 177.541 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.6 t70 . . . . . 0 C--N 1.323 -0.568 0 CA-C-N 114.376 -1.284 . . . . 0.0 113.126 -170.905 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.588 HD12 ' N ' ' A' ' 3' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.45 -0.457 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 36.5 m170 -101.82 123.25 45.46 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 177.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -90.87 122.32 33.48 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.719 -175.238 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.679 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 68.3 m-85 -131.6 138.25 48.74 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 173.746 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.599 ' HB3' ' HB2' ' A' ' 10' ' ' CYS . 34.5 t -77.85 142.93 38.21 Favored 'General case' 0 CA--C 1.503 -0.842 0 CA-C-O 121.554 0.693 . . . . 0.0 112.553 -172.214 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.415 ' O ' ' HB3' ' A' ' 9' ' ' HIS . 35.8 ptt180 -72.25 124.42 25.03 Favored 'General case' 0 N--CA 1.436 -1.129 0 CA-C-N 114.259 -1.337 . . . . 0.0 108.903 169.387 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.415 ' HB3' ' O ' ' A' ' 8' ' ' ARG . 48.8 t-80 88.08 -43.28 0.03 OUTLIER 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 114.089 -1.414 . . . . 0.0 110.885 175.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.599 ' HB2' ' HB3' ' A' ' 7' ' ' CYS . 68.0 m -79.08 -43.08 24.88 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.251 0.548 . . . . 0.0 111.089 177.492 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 79.99 9.67 86.44 Favored Glycine 0 N--CA 1.446 -0.654 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.89 -172.317 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.59 HG12 ' HB2' ' A' ' 10' ' ' CYS . 2.9 p -76.56 137.85 21.8 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.492 0 CA-C-O 121.497 0.665 . . . . 0.0 112.382 -176.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.409 ' HZ1' ' HE2' ' A' ' 6' ' ' TYR . 18.7 mtpp -73.31 96.89 2.37 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.593 -1.185 . . . . 0.0 109.585 -179.563 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -82.79 -9.47 11.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.026 0.441 . . . . 0.0 110.366 -176.515 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.929 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -177.495 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.5 p . . . . . 0 N--CA 1.454 -0.243 0 N-CA-C 110.419 -0.215 . . . . 0.0 110.419 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.5 ' N ' HD22 ' A' ' 34' ' ' ASN . 0.9 OUTLIER -67.48 -28.32 67.75 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 174.459 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -56.97 -55.48 34.12 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.835 175.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -51.76 -44.15 63.23 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.288 -1.324 . . . . 0.0 112.034 -179.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -56.65 -36.55 69.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.628 -176.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 44.3 t-20 -65.05 -42.51 94.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.946 0.403 . . . . 0.0 110.274 -178.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -76.37 -37.14 57.65 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.021 -178.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 49.5 ttm . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.09 -179.905 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.452 ' HB ' ' HA ' ' A' ' 3' ' ' LEU . 2.9 t . . . . . 0 N--CA 1.455 -0.208 0 CA-C-O 121.162 0.506 . . . . 0.0 109.712 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -83.33 92.25 7.48 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.805 -177.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.0 m -102.99 134.92 42.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.099 -178.246 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.679 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 83.8 mt -98.26 108.83 21.63 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.577 177.464 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 15.2 t -125.07 -176.34 3.54 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.718 -173.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.412 HD13 ' HG ' ' A' ' 62' ' ' LEU . 40.1 mt -87.87 126.37 41.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.555 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 17.2 p -83.06 167.7 17.61 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 176.287 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -54.08 -42.95 69.9 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.993 0.425 . . . . 0.0 110.612 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -66.27 -35.39 80.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.141 -178.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.445 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 11.5 m -70.02 -54.16 14.41 Favored 'General case' 0 C--O 1.214 -0.779 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.759 177.132 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.697 ' HA ' ' HB2' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -49.06 -33.12 10.85 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.301 0.64 . . . . 0.0 110.726 174.144 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -60.88 -55.62 30.87 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-O 120.868 0.366 . . . . 0.0 110.968 176.039 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.28 -32.32 73.87 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.82 0.819 . . . . 0.0 109.965 174.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.697 ' HB2' ' HA ' ' A' ' 59' ' ' GLN . 0.4 OUTLIER -61.22 -62.53 1.77 Allowed 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 113.896 -1.502 . . . . 0.0 112.277 -173.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 28.8 t70 . . . . . 0 C--N 1.327 -0.41 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.994 -177.01 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.472 HD12 ' N ' ' A' ' 3' ' ' LEU . 5.5 mp . . . . . 0 CA--C 1.507 -0.693 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.466 ' HB3' ' CE2' ' A' ' 6' ' ' TYR . 13.8 m-70 -80.24 123.32 27.84 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.476 -178.283 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.514 ' CD1' HG21 ' A' ' 53' ' ' THR . 2.9 m-30 -96.68 120.16 36.49 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-N 115.038 -0.983 . . . . 0.0 111.011 -175.026 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.551 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 90.3 m-85 -130.74 135.01 47.38 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 173.47 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.658 ' HB3' ' HB2' ' A' ' 10' ' ' CYS . 34.0 t -76.88 140.42 40.57 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 114.082 1.141 . . . . 0.0 114.082 -167.272 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.441 ' HD2' ' HB2' ' A' ' 9' ' ' HIS . 5.6 tmm_? -59.09 115.8 3.41 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 113.309 -1.769 . . . . 0.0 109.348 166.57 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.441 ' HB2' ' HD2' ' A' ' 8' ' ' ARG . 21.9 t-80 85.93 -47.02 0.06 Allowed 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.921 0.888 . . . . 0.0 111.756 173.592 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.658 ' HB2' ' HB3' ' A' ' 7' ' ' CYS . 77.4 m -70.92 -42.56 69.74 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.422 0.63 . . . . 0.0 110.596 177.695 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 78.25 9.65 86.82 Favored Glycine 0 N--CA 1.443 -0.834 0 CA-C-N 115.196 -0.911 . . . . 0.0 111.614 -172.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.619 HG12 ' HB2' ' A' ' 10' ' ' CYS . 2.5 p -75.28 137.75 22.3 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 CA-C-O 121.19 0.519 . . . . 0.0 112.178 -175.581 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.559 ' H ' ' HD2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -70.55 97.09 1.26 Allowed 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 114.79 -1.095 . . . . 0.0 109.933 178.725 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -91.79 2.19 8.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 120.995 0.426 . . . . 0.0 110.734 -179.334 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.438 0 C-N-CA 120.912 -0.661 . . . . 0.0 111.536 177.974 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.4 p . . . . . 0 N--CA 1.445 -0.716 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 54.2 m-80 -57.19 -34.94 69.0 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.017 0.437 . . . . 0.0 109.914 177.339 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -77.37 -40.75 42.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.979 -0.555 . . . . 0.0 112.172 -176.403 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -70.75 -27.17 63.74 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 179.191 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -72.07 -31.75 66.4 Favored 'General case' 0 N--CA 1.438 -1.046 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.591 176.178 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -66.86 -44.08 81.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.754 0.311 . . . . 0.0 110.305 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -62.97 -36.38 83.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.158 0.504 . . . . 0.0 110.729 177.135 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 14.9 tpt . . . . . 0 C--N 1.325 -0.458 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.731 -175.948 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.45 ' CG2' ' HA ' ' A' ' 3' ' ' LEU . 2.6 m . . . . . 0 N--CA 1.443 -0.816 0 CA-C-O 121.416 0.626 . . . . 0.0 110.31 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 13.6 t60 -120.88 95.66 4.8 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.372 -177.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 12.9 m -109.31 137.74 39.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-O 121.169 0.509 . . . . 0.0 111.765 -175.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.551 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 3.1 mm? -96.24 109.03 21.58 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.24 176.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.56 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 13.8 t -123.11 170.46 10.18 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.84 -174.005 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.42 HG23 ' HB2' ' A' ' 58' ' ' CYS . 1.5 mt -87.17 123.39 39.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.035 176.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.463 ' SG ' ' HB3' ' A' ' 57' ' ' ASP . 19.7 p -72.27 165.3 24.72 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.323 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -55.34 -39.77 70.4 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.254 0.55 . . . . 0.0 109.773 179.167 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.463 ' HB3' ' SG ' ' A' ' 55' ' ' CYS . 31.2 t70 -63.36 -38.66 92.03 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.056 179.599 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.718 ' O ' HD23 ' A' ' 62' ' ' LEU . 8.1 m -68.68 -55.75 10.39 Favored 'General case' 0 C--O 1.222 -0.342 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.89 177.422 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.564 ' HA ' ' HB2' ' A' ' 62' ' ' LEU . 4.0 tt0 -49.05 -31.93 8.63 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.245 0.545 . . . . 0.0 111.547 -178.207 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -65.6 -56.04 14.35 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.419 0.628 . . . . 0.0 110.959 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.3 -31.3 67.36 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.435 174.203 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.718 HD23 ' O ' ' A' ' 58' ' ' CYS . 0.8 OUTLIER -62.48 -61.9 2.12 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 113.985 -1.462 . . . . 0.0 112.021 -176.324 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 33.7 t70 . . . . . 0 C--N 1.326 -0.445 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.752 -179.657 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.43 ' HA ' ' CG2' ' A' ' 49' ' ' VAL . 5.6 mp . . . . . 0 CA--C 1.503 -0.828 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 67.3 m80 -89.27 124.12 34.11 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.642 -178.159 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.725 ' HB2' ' N ' ' A' ' 15' ' ' GLY . 14.3 m-30 -91.66 137.54 32.28 Favored 'General case' 0 C--N 1.309 -1.192 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.433 177.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.572 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 68.0 m-85 -140.4 122.99 16.21 Favored 'General case' 0 C--N 1.311 -1.108 0 N-CA-C 106.546 -1.65 . . . . 0.0 106.546 175.546 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.6 ' HB3' ' HB2' ' A' ' 10' ' ' CYS . 49.4 t -71.64 130.13 40.41 Favored 'General case' 0 CA--C 1.502 -0.888 0 C-N-CA 119.238 -0.985 . . . . 0.0 112.129 -172.534 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.455 ' NH2' HD11 ' A' ' 62' ' ' LEU . 32.4 ptt180 -55.17 125.94 22.71 Favored 'General case' 0 N--CA 1.438 -1.036 0 CA-C-N 113.744 -1.571 . . . . 0.0 109.691 174.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.436 ' HB3' ' O ' ' A' ' 8' ' ' ARG . 50.5 t-80 79.82 -21.74 0.31 Allowed 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 114.385 -1.279 . . . . 0.0 111.594 175.177 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.6 ' HB2' ' HB3' ' A' ' 7' ' ' CYS . 99.4 m -94.44 -40.34 9.96 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.063 0.459 . . . . 0.0 111.602 178.466 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 81.6 0.07 88.73 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.114 -176.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.45 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 2.2 p -70.34 140.6 18.24 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.542 0 CA-C-O 120.861 0.362 . . . . 0.0 111.462 -177.508 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -81.8 93.84 6.92 Favored 'General case' 0 CA--C 1.501 -0.918 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 -179.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.528 HG13 ' HB3' ' A' ' 5' ' ' TYR . 9.7 p -104.74 11.26 8.63 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.446 0 CA-C-N 114.663 -1.153 . . . . 0.0 110.363 -169.541 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.725 ' N ' ' HB2' ' A' ' 5' ' ' TYR . . . . . . . . 0 CA--C 1.506 -0.527 0 CA-C-N 114.705 -1.134 . . . . 0.0 110.57 171.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.497 ' O ' ' HG3' ' A' ' 37' ' ' ARG . 9.0 t . . . . . 0 N--CA 1.448 -0.532 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -49.9 -34.98 22.02 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 118.059 0.391 . . . . 0.0 111.612 -176.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -72.77 -55.54 6.58 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.153 0.502 . . . . 0.0 111.264 176.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.416 ' O ' ' HB2' ' A' ' 40' ' ' MET . 21.6 tt0 -65.5 -29.58 70.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.905 -175.143 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.497 ' HG3' ' O ' ' A' ' 33' ' ' THR . 17.8 mtm180 -72.02 -33.13 67.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.01 0.434 . . . . 0.0 110.43 177.148 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -78.35 -47.8 16.94 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.468 -179.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -73.68 -56.77 4.57 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.648 -178.217 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.416 ' HB2' ' O ' ' A' ' 36' ' ' GLU . 26.1 mmt . . . . . 0 C--N 1.327 -0.391 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.199 -175.201 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.43 ' CG2' ' HA ' ' A' ' 3' ' ' LEU . 2.5 m . . . . . 0 N--CA 1.45 -0.459 0 CA-C-O 121.018 0.437 . . . . 0.0 109.941 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 49.8 p-80 -136.77 123.99 21.8 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.406 -176.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 15.6 m -128.44 136.14 60.75 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.523 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.572 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 83.0 mt -89.89 115.47 27.23 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.679 178.233 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.423 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 12.2 t -127.86 -171.28 2.4 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.678 -173.538 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.4 mt -102.08 120.82 52.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.873 -178.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.518 ' SG ' ' HB3' ' A' ' 57' ' ' ASP . 16.1 p -73.9 165.13 25.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.81 174.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -53.27 -41.53 65.63 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.701 0.286 . . . . 0.0 111.253 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.518 ' HB3' ' SG ' ' A' ' 55' ' ' CYS . 16.7 t70 -57.26 -48.87 77.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.058 178.094 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.44 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 69.5 m -67.9 -36.3 79.97 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.195 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.627 HE21 ' HA ' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -52.63 -34.82 53.11 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.995 173.896 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -72.38 -44.67 62.2 Favored 'General case' 0 N--CA 1.439 -1.025 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.805 -179.422 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.36 -32.68 74.45 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 177.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.455 HD11 ' NH2' ' A' ' 8' ' ' ARG . 0.5 OUTLIER -63.3 -58.77 6.06 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 113.81 -1.541 . . . . 0.0 111.709 176.574 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.6 t70 . . . . . 0 C--N 1.316 -0.87 0 CA-C-N 114.512 -1.222 . . . . 0.0 110.93 177.982 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.439 HD12 ' N ' ' A' ' 3' ' ' LEU . 5.7 mp . . . . . 0 CA--C 1.515 -0.389 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 9.1 m170 -89.17 122.49 32.51 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 -177.169 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.55 ' HB2' ' N ' ' A' ' 15' ' ' GLY . 3.8 m-30 -90.93 121.44 32.76 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.454 -179.201 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.482 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 64.9 m-85 -127.99 128.45 45.05 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 174.694 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.645 ' HB3' ' HB2' ' A' ' 10' ' ' CYS . 24.6 t -73.44 144.55 46.26 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 -168.069 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 34.7 ttp85 -54.74 112.97 1.14 Allowed 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 113.658 -1.61 . . . . 0.0 109.977 168.17 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 81.91 -46.31 0.19 Allowed 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.078 0.951 . . . . 0.0 111.597 174.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.662 ' HB2' HG12 ' A' ' 12' ' ' VAL . 48.9 m -70.72 -35.18 72.59 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.091 0.472 . . . . 0.0 111.441 -178.766 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 75.76 -2.5 54.26 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.961 -0.638 . . . . 0.0 112.159 -175.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.662 HG12 ' HB2' ' A' ' 10' ' ' CYS . 2.5 p -65.17 135.28 28.54 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 CA-C-O 121.448 0.642 . . . . 0.0 112.051 -177.123 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.486 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 54.0 mttp -72.84 98.79 2.51 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 114.403 -1.271 . . . . 0.0 109.71 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -82.33 -3.46 7.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.375 0.607 . . . . 0.0 109.99 -177.659 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.55 ' N ' ' HB2' ' A' ' 5' ' ' TYR . . . . . . . . 0 N--CA 1.442 -0.926 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.173 179.186 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.448 -0.548 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -58.79 -30.56 67.67 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.574 0.226 . . . . 0.0 110.874 179.154 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -56.26 -44.14 79.41 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.137 176.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -72.8 -40.86 65.54 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 120.901 -0.32 . . . . 0.0 110.552 177.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 32.9 mtm180 -59.22 -40.11 84.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.285 -173.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -78.39 -40.51 35.9 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.454 -0.499 . . . . 0.0 111.759 -177.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -79.45 -58.12 3.36 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -175.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 3.7 mpp? . . . . . 0 C--N 1.327 -0.382 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -173.287 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.402 ' HB ' ' HG ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.421 0 CA-C-O 120.602 0.239 . . . . 0.0 110.874 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 42.3 p-80 -127.19 138.51 53.14 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 178.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.492 HG23 ' HA ' ' A' ' 5' ' ' TYR . 1.3 m -133.42 124.73 49.24 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.72 -179.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.482 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 3.1 mm? -84.95 109.7 18.35 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.282 177.346 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 14.5 t -133.13 -174.34 3.46 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.366 -177.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.416 HG23 ' HB2' ' A' ' 58' ' ' CYS . 1.3 mt -100.29 119.64 48.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.308 -175.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.416 ' SG ' ' HB3' ' A' ' 57' ' ' ASP . 19.6 p -68.24 166.14 16.99 Favored 'General case' 0 CA--C 1.522 -0.105 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.842 176.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.424 ' O ' ' HB3' ' A' ' 59' ' ' GLN . 42.6 mt-10 -58.5 -32.67 69.03 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.696 0.284 . . . . 0.0 110.564 -178.277 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.416 ' HB3' ' SG ' ' A' ' 55' ' ' CYS . 23.2 t70 -66.57 -44.72 81.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.727 178.101 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.416 ' HB2' HG23 ' A' ' 54' ' ' ILE . 33.2 m -65.09 -42.0 94.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.029 0.443 . . . . 0.0 110.065 174.661 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.424 ' HB3' ' O ' ' A' ' 56' ' ' GLU . 21.6 tp60 -51.6 -36.18 44.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.784 173.506 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -73.97 -43.96 56.39 Favored 'General case' 0 N--CA 1.434 -1.243 0 CA-C-O 120.902 0.382 . . . . 0.0 111.416 179.036 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.98 -29.02 69.43 Favored 'General case' 0 CA--C 1.507 -0.705 0 CA-C-O 122.628 1.204 . . . . 0.0 108.516 177.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.404 ' HB2' ' O ' ' A' ' 58' ' ' CYS . 0.5 OUTLIER -75.16 -60.2 2.4 Favored 'General case' 0 N--CA 1.427 -1.6 0 CA-C-N 113.514 -1.675 . . . . 0.0 112.065 -179.384 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.6 t70 . . . . . 0 C--N 1.318 -0.781 0 CA-C-N 114.733 -1.122 . . . . 0.0 112.552 -173.234 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.447 HD12 ' N ' ' A' ' 3' ' ' LEU . 6.3 mp . . . . . 0 CA--C 1.514 -0.438 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.503 ' HB3' ' CE2' ' A' ' 6' ' ' TYR . 77.0 m80 -87.63 123.74 32.8 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 179.624 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.488 ' CD2' HG21 ' A' ' 53' ' ' THR . 2.4 m-30 -101.77 112.25 24.78 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.199 -0.91 . . . . 0.0 111.039 -174.252 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.55 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 80.6 m-85 -124.0 135.4 53.6 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 174.677 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.628 ' HB3' ' HB2' ' A' ' 10' ' ' CYS . 9.1 t -82.02 131.96 35.25 Favored 'General case' 0 CA--C 1.505 -0.771 0 C-N-CA 120.07 -0.652 . . . . 0.0 112.68 -171.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.538 HH21 HD11 ' A' ' 54' ' ' ILE . 3.3 ppt_? -66.6 124.28 22.39 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-N 114.671 -1.149 . . . . 0.0 108.849 170.779 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.434 ' HB3' ' O ' ' A' ' 8' ' ' ARG . 45.2 t60 90.51 -17.07 0.2 Allowed 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 114.289 -1.323 . . . . 0.0 110.856 172.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.628 ' HB2' ' HB3' ' A' ' 7' ' ' CYS . 63.0 m -110.6 -39.69 4.82 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.993 0.425 . . . . 0.0 111.4 179.351 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 81.25 3.98 90.56 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.866 -0.683 . . . . 0.0 111.833 -174.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.613 HG12 ' HB2' ' A' ' 10' ' ' CYS . 1.9 p -74.58 132.48 33.28 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.459 0 CA-C-O 121.532 0.682 . . . . 0.0 112.391 -177.733 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.509 ' HG3' ' CD1' ' A' ' 6' ' ' TYR . 0.1 OUTLIER -75.56 95.16 3.28 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 114.362 -1.29 . . . . 0.0 109.519 177.72 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -75.67 -31.6 23.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.335 -172.304 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.416 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.087 -176.255 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 96.3 m . . . . . 0 CA--C 1.531 0.239 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 15.1 p-10 -77.05 -28.84 54.94 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 170.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.447 ' HG3' ' H ' ' A' ' 35' ' ' GLU . 10.5 mt-10 -62.26 -36.61 82.59 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.22 -1.354 . . . . 0.0 109.33 174.234 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -65.43 -50.73 64.32 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.431 -1.259 . . . . 0.0 109.995 175.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -64.85 -54.56 29.05 Favored 'General case' 0 N--CA 1.442 -0.83 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.784 -175.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -75.5 -57.76 3.69 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.934 -173.068 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.409 ' HB2' ' O ' ' A' ' 35' ' ' GLU . 5.1 m-20 -73.91 -56.06 5.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.929 -173.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 18.7 ttt . . . . . 0 C--N 1.324 -0.513 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.621 -174.748 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.417 ' CG2' ' HA ' ' A' ' 3' ' ' LEU . 2.2 m . . . . . 0 N--CA 1.445 -0.72 0 CA-C-O 121.463 0.649 . . . . 0.0 109.944 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -125.4 92.5 3.63 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.115 -0.948 . . . . 0.0 108.806 -176.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.5 m -109.8 134.13 52.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-O 121.326 0.584 . . . . 0.0 112.051 -172.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.55 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 86.2 mt -90.52 115.78 27.92 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.259 174.577 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.488 HG21 ' CD2' ' A' ' 5' ' ' TYR . 14.6 t -128.53 -173.4 2.95 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.706 -173.14 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.546 HD13 HD11 ' A' ' 62' ' ' LEU . 1.7 mt -100.62 122.15 52.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.602 -179.267 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 18.8 p -72.84 166.19 23.43 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 174.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -56.96 -41.26 78.01 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 117.687 0.221 . . . . 0.0 111.29 -175.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -60.36 -39.78 88.41 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.963 0.411 . . . . 0.0 110.879 177.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 13.1 m -66.2 -45.24 81.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.927 176.352 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.813 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 18.4 tt0 -59.04 -30.97 68.43 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.873 0.368 . . . . 0.0 111.683 173.564 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -71.26 -41.61 69.85 Favored 'General case' 0 N--CA 1.429 -1.487 0 O-C-N 121.191 -0.943 . . . . 0.0 111.025 174.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.24 -31.16 61.28 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 122.207 1.003 . . . . 0.0 109.183 169.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.813 ' HB2' ' O ' ' A' ' 59' ' ' GLN . 0.4 OUTLIER -68.97 -58.72 3.73 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 113.394 -1.73 . . . . 0.0 111.416 178.476 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.2 t70 . . . . . 0 C--N 1.319 -0.752 0 CA-C-N 114.41 -1.268 . . . . 0.0 111.91 -176.776 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.509 ' CB ' ' HB ' ' A' ' 49' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.447 -0.623 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.463 ' O ' ' HB ' ' A' ' 51' ' ' VAL . 1.4 m80 -129.16 127.37 41.25 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.556 -177.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.448 ' CD1' HG21 ' A' ' 53' ' ' THR . 3.3 m-85 -89.08 116.13 27.13 Favored 'General case' 0 C--N 1.298 -1.672 0 CA-C-N 114.718 -1.128 . . . . 0.0 111.161 -177.298 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.483 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 99.1 m-85 -124.65 135.24 52.9 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 171.296 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.551 ' HB2' HG13 ' A' ' 12' ' ' VAL . 3.2 t -82.47 132.22 35.21 Favored 'General case' 0 CA--C 1.5 -0.944 0 C-N-CA 118.915 -1.114 . . . . 0.0 112.649 -172.532 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.461 ' HG3' ' O ' ' A' ' 8' ' ' ARG . 20.6 ptt180 -62.28 123.34 17.95 Favored 'General case' 0 N--CA 1.436 -1.138 0 CA-C-N 114.246 -1.343 . . . . 0.0 108.942 173.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 26.5 t-80 82.72 -41.21 0.11 Allowed 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.358 168.32 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.576 ' HB2' HG12 ' A' ' 12' ' ' VAL . 26.5 m -72.85 -33.34 66.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.279 0.561 . . . . 0.0 110.063 175.639 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 75.53 12.15 83.9 Favored Glycine 0 N--CA 1.448 -0.561 0 CA-C-N 115.35 -0.841 . . . . 0.0 112.221 179.042 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.576 HG12 ' HB2' ' A' ' 10' ' ' CYS . 1.3 p -83.0 130.35 35.87 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 CA-C-O 121.122 0.487 . . . . 0.0 111.433 -178.565 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.611 ' HD3' ' O ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -80.29 95.75 6.43 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.979 0.895 . . . . 0.0 109.458 178.748 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.402 HG23 ' H ' ' A' ' 14' ' ' VAL . 0.0 OUTLIER -73.52 -35.6 45.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.939 -174.812 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.828 0 N-CA-C 110.709 -0.956 . . . . 0.0 110.709 -179.905 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.3 m . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -50.96 -49.06 60.79 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 120.803 0.335 . . . . 0.0 111.207 179.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -53.76 -39.03 65.01 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.883 -0.599 . . . . 0.0 112.017 179.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -67.12 -46.4 74.25 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.119 0.485 . . . . 0.0 110.314 178.257 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 74.2 mtp180 -60.89 -43.15 98.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.294 -0.867 . . . . 0.0 110.967 -178.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -72.87 -26.94 61.63 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.273 -178.449 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -71.85 -57.34 4.41 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.656 -0.247 . . . . 0.0 111.636 -175.249 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 46.8 tpp . . . . . 0 C--N 1.328 -0.362 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.801 -177.842 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.509 ' HB ' ' CB ' ' A' ' 3' ' ' LEU . 6.7 t . . . . . 0 CA--C 1.521 -0.137 0 CA-C-O 120.882 0.372 . . . . 0.0 111.051 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 18.3 t-80 -73.94 103.92 4.61 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 176.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.463 ' HB ' ' O ' ' A' ' 4' ' ' HIS . 66.4 t -107.71 123.09 62.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.446 -171.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.483 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 3.2 mm? -103.16 110.08 21.9 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.859 177.028 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.448 HG21 ' CD1' ' A' ' 5' ' ' TYR . 15.2 t -125.38 -170.66 2.21 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.293 -0.412 . . . . 0.0 109.957 -178.776 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.589 HG12 ' SG ' ' A' ' 58' ' ' CYS . 0.4 OUTLIER -114.13 114.57 47.08 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 CA-C-O 121.379 0.609 . . . . 0.0 110.388 177.257 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 22.0 p -70.66 -177.89 1.67 Allowed 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.309 177.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -69.53 -32.58 71.49 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.688 -0.233 . . . . 0.0 111.407 -176.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -56.6 -50.78 70.94 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 120.876 0.369 . . . . 0.0 111.448 -178.45 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.607 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 2.3 p -75.72 -51.5 12.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.822 -178.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.553 ' HB2' ' CG2' ' A' ' 54' ' ' ILE . 21.1 tm0? -51.91 -35.84 46.88 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.254 0.622 . . . . 0.0 112.176 -176.792 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -67.53 -56.26 10.21 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 121.061 0.458 . . . . 0.0 110.659 -176.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.9 -32.0 73.18 Favored 'General case' 0 CA--C 1.503 -0.845 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 179.05 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.607 ' HB2' ' O ' ' A' ' 58' ' ' CYS . 0.2 OUTLIER -58.64 -58.64 7.66 Favored 'General case' 0 N--CA 1.44 -0.958 0 CA-C-N 113.731 -1.577 . . . . 0.0 111.451 -177.378 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.7 t70 . . . . . 0 C--N 1.318 -0.765 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.791 -177.081 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.412 ' HA ' ' CG2' ' A' ' 49' ' ' VAL . 6.6 mp . . . . . 0 CA--C 1.519 -0.245 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 35.7 m80 -86.01 121.48 28.7 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 -179.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.477 ' HB2' ' N ' ' A' ' 15' ' ' GLY . 7.6 m-30 -98.75 126.26 44.32 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.305 -173.443 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.535 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 81.8 m-85 -131.36 131.43 43.69 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 173.591 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.574 ' HB3' ' HB2' ' A' ' 10' ' ' CYS . 11.8 t -78.19 137.21 38.04 Favored 'General case' 0 CA--C 1.5 -0.972 0 CA-C-O 121.735 0.779 . . . . 0.0 112.882 -170.342 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.453 ' O ' ' HB3' ' A' ' 9' ' ' HIS . 34.0 ptt180 -65.89 126.48 28.67 Favored 'General case' 0 N--CA 1.435 -1.218 0 CA-C-N 113.836 -1.529 . . . . 0.0 108.674 168.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.453 ' HB3' ' O ' ' A' ' 8' ' ' ARG . 24.3 t60 86.97 -44.39 0.04 OUTLIER 'General case' 0 C--N 1.309 -1.155 0 CA-C-N 114.061 -1.427 . . . . 0.0 110.933 173.595 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.634 ' HB2' HG12 ' A' ' 12' ' ' VAL . 61.1 m -78.45 -42.47 29.81 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.275 0.559 . . . . 0.0 111.283 179.749 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 81.44 8.66 86.8 Favored Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 120.522 -0.846 . . . . 0.0 111.6 -173.475 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.634 HG12 ' HB2' ' A' ' 10' ' ' CYS . 2.4 p -78.09 134.65 27.8 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.571 0 CA-C-O 121.436 0.636 . . . . 0.0 111.736 -178.042 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.7 mttm -76.58 93.93 3.66 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 114.718 -1.128 . . . . 0.0 108.881 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.472 ' HB ' ' HB3' ' A' ' 5' ' ' TYR . 0.3 OUTLIER -69.94 -30.81 45.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.037 -172.717 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.477 ' N ' ' HB2' ' A' ' 5' ' ' TYR . . . . . . . . 0 C--N 1.329 0.18 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.319 -178.321 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.466 ' O ' ' HB3' ' A' ' 36' ' ' GLU . 58.7 m . . . . . 0 CA--C 1.537 0.453 0 CA-C-O 120.416 0.15 . . . . 0.0 111.195 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -74.54 -36.83 63.14 Favored 'General case' 0 CA--C 1.511 -0.526 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 176.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -73.52 -26.08 60.71 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.824 -1.08 . . . . 0.0 108.998 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.466 ' HB3' ' O ' ' A' ' 33' ' ' THR . 39.3 tt0 -56.61 -46.43 80.91 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.341 -1.3 . . . . 0.0 110.943 178.57 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 52.3 mtm180 -68.04 -31.97 71.99 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.988 -177.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -73.36 -43.49 60.6 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.167 -178.554 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -67.33 -31.94 72.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.555 179.234 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 15.7 tpt . . . . . 0 C--O 1.233 0.189 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.032 177.25 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.412 ' CG2' ' HA ' ' A' ' 3' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.449 -0.497 0 CA-C-O 121.053 0.454 . . . . 0.0 110.265 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -117.28 108.08 15.19 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.008 -175.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.4 m -127.68 143.84 39.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.272 0.558 . . . . 0.0 112.002 -176.512 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.535 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 2.8 mm? -98.48 122.65 41.94 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 175.174 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.423 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 13.8 t -142.8 -172.48 3.66 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 120.907 0.384 . . . . 0.0 111.36 -173.248 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 7.1 mt -88.17 128.92 40.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.993 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 17.6 p -82.75 166.63 18.89 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 173.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.427 ' H ' ' CD ' ' A' ' 56' ' ' GLU . 52.9 mp0 -55.06 -45.71 75.34 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.801 0.334 . . . . 0.0 110.794 -177.212 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.426 ' O ' ' HB3' ' A' ' 60' ' ' GLU . 25.1 t70 -61.26 -40.9 95.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.311 179.478 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.681 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 4.6 m -61.02 -53.82 52.45 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.53 176.452 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.432 ' OE1' ' HB2' ' A' ' 63' ' ' ASP . 0.0 OUTLIER -53.2 -37.12 61.71 Favored 'General case' 0 N--CA 1.467 0.376 0 O-C-N 123.712 0.633 . . . . 0.0 110.846 177.916 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.426 ' HB3' ' O ' ' A' ' 57' ' ' ASP . 8.8 tp10 -58.1 -56.99 14.93 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.764 0.792 . . . . 0.0 111.438 -179.672 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.45 -28.22 68.42 Favored 'General case' 0 N--CA 1.44 -0.94 0 CA-C-N 114.275 -1.33 . . . . 0.0 108.203 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.681 ' HB2' ' O ' ' A' ' 58' ' ' CYS . 0.3 OUTLIER -70.07 -57.97 4.36 Favored 'General case' 0 N--CA 1.434 -1.242 0 CA-C-N 113.956 -1.474 . . . . 0.0 111.294 -173.118 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.432 ' HB2' ' OE1' ' A' ' 59' ' ' GLN . 38.8 t70 . . . . . 0 C--N 1.324 -0.525 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.735 -178.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.474 ' HA ' ' HB ' ' A' ' 49' ' ' VAL . 7.1 mp . . . . . 0 CA--C 1.513 -0.457 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.427 ' HB2' ' O ' ' A' ' 49' ' ' VAL . 40.0 m80 -93.2 122.08 35.22 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 108.423 -0.955 . . . . 0.0 108.423 176.403 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.575 ' H ' ' HA3' ' A' ' 15' ' ' GLY . 13.1 m-30 -99.74 129.8 45.89 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.639 -174.566 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.401 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 77.1 m-85 -127.4 132.67 50.08 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-O 121.62 0.724 . . . . 0.0 110.676 176.781 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.691 ' HB3' ' O ' ' A' ' 12' ' ' VAL . 0.0 OUTLIER -76.88 117.86 18.9 Favored 'General case' 0 N--CA 1.437 -1.111 0 CA-C-N 114.521 -1.218 . . . . 0.0 112.137 -174.394 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.417 HH21 HD11 ' A' ' 62' ' ' LEU . 32.9 ptt180 -66.18 131.59 46.52 Favored 'General case' 0 N--CA 1.436 -1.131 0 CA-C-N 115.223 -0.899 . . . . 0.0 108.662 166.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 44.6 t-80 90.46 -58.77 0.02 OUTLIER 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 115.316 -0.857 . . . . 0.0 113.26 168.46 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -83.6 -24.77 31.35 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 119.912 -0.715 . . . . 0.0 110.822 -172.071 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 83.62 33.18 22.71 Favored Glycine 0 C--N 1.334 0.435 0 C-N-CA 120.966 -0.635 . . . . 0.0 113.536 174.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.691 ' O ' ' HB3' ' A' ' 7' ' ' CYS . 2.4 p -106.38 139.81 26.55 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-O 121.961 0.886 . . . . 0.0 112.076 176.114 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 31.0 mtmm -89.76 94.77 9.96 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.102 -178.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.494 HG23 ' HB3' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -71.27 -22.51 22.45 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 CA-C-O 120.831 0.348 . . . . 0.0 111.063 -177.582 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.575 ' HA3' ' H ' ' A' ' 5' ' ' TYR . . . . . . . . 0 N--CA 1.447 -0.613 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.071 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.5 p . . . . . 0 N--CA 1.447 -0.589 0 CA-C-O 120.602 0.239 . . . . 0.0 110.657 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.422 ' HA ' ' HD3' ' A' ' 37' ' ' ARG . 77.9 m-20 -64.23 -23.05 67.17 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.225 0.536 . . . . 0.0 109.867 177.365 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -54.84 -55.58 28.74 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.538 172.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -67.64 -33.46 75.0 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.898 -1.046 . . . . 0.0 110.653 -177.112 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.422 ' HD3' ' HA ' ' A' ' 34' ' ' ASN . 77.7 mtp180 -56.51 -50.06 72.9 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 115.74 -0.663 . . . . 0.0 111.476 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -78.22 -38.23 43.58 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.751 0.31 . . . . 0.0 111.309 -178.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -77.82 -58.29 3.35 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -171.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 16.7 tpt . . . . . 0 C--N 1.322 -0.6 0 CA-C-O 120.835 0.35 . . . . 0.0 111.323 -173.132 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.474 ' HB ' ' HA ' ' A' ' 3' ' ' LEU . 2.3 m . . . . . 0 N--CA 1.444 -0.774 0 CA-C-O 121.284 0.564 . . . . 0.0 111.308 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 29.7 t60 -134.87 96.4 3.52 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.412 -177.437 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 26.0 m -121.33 143.03 35.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 120.819 0.342 . . . . 0.0 111.159 -176.134 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.431 HD22 ' N ' ' A' ' 52' ' ' LEU . 0.9 OUTLIER -101.61 123.67 46.0 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 174.589 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 12.3 t -141.21 -179.94 6.4 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 121.111 0.481 . . . . 0.0 111.031 -172.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 11.1 mt -86.34 114.68 26.23 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.514 -178.22 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.506 ' HB3' ' HB2' ' A' ' 7' ' ' CYS . 8.5 p -79.63 -179.62 6.98 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 176.008 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.473 ' O ' ' HG2' ' A' ' 60' ' ' GLU . 41.8 mt-10 -58.0 -48.04 81.22 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.949 0.405 . . . . 0.0 110.304 177.722 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -64.67 -32.66 74.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.843 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.46 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 14.1 m -61.89 -54.8 36.99 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.065 0.46 . . . . 0.0 110.19 175.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.09 -35.56 67.14 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.583 179.577 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.473 ' HG2' ' O ' ' A' ' 56' ' ' GLU . 13.7 mm-40 -67.67 -45.81 74.15 Favored 'General case' 0 N--CA 1.437 -1.119 0 CA-C-O 120.933 0.397 . . . . 0.0 112.015 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.72 -30.47 71.57 Favored 'General case' 0 CA--C 1.509 -0.597 0 CA-C-O 122.339 1.066 . . . . 0.0 108.376 177.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.46 ' HB2' ' O ' ' A' ' 58' ' ' CYS . 0.4 OUTLIER -73.21 -59.54 2.66 Favored 'General case' 0 N--CA 1.43 -1.446 0 CA-C-N 113.132 -1.849 . . . . 0.0 112.25 -175.448 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.5 t70 . . . . . 0 C--N 1.322 -0.607 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.355 -174.018 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.457 ' HA ' ' HB ' ' A' ' 49' ' ' VAL . 6.0 mp . . . . . 0 CA--C 1.515 -0.379 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.551 ' O ' ' HB ' ' A' ' 51' ' ' VAL . 36.9 m80 -101.95 123.41 45.82 Favored 'General case' 0 CA--C 1.497 -1.065 0 C-N-CA 120.69 -0.404 . . . . 0.0 109.923 -173.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.587 ' CD1' HG21 ' A' ' 53' ' ' THR . 2.8 m-85 -98.54 111.73 23.99 Favored 'General case' 0 C--N 1.302 -1.46 0 CA-C-N 115.109 -0.95 . . . . 0.0 110.516 -176.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.591 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 81.4 m-85 -120.89 127.13 51.59 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 173.291 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.534 ' HA ' ' O ' ' A' ' 53' ' ' THR . 12.2 t -77.82 127.65 32.74 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 113.24 0.829 . . . . 0.0 113.24 -167.16 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.525 HH21 HD11 ' A' ' 54' ' ' ILE . 0.7 OUTLIER -75.26 126.16 30.45 Favored 'General case' 0 N--CA 1.436 -1.164 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 168.717 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.507 ' HB3' ' O ' ' A' ' 8' ' ' ARG . 44.8 t60 109.69 -32.28 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 124.935 1.294 . . . . 0.0 111.597 171.505 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.803 ' SG ' HG12 ' A' ' 12' ' ' VAL . 11.7 p -128.08 -10.6 5.35 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 119.768 -0.773 . . . . 0.0 112.12 179.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 68.17 29.45 73.33 Favored Glycine 0 C--N 1.333 0.377 0 C-N-CA 121.296 -0.478 . . . . 0.0 114.065 174.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.803 HG12 ' SG ' ' A' ' 10' ' ' CYS . 7.7 p -88.37 146.25 6.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.347 0.594 . . . . 0.0 111.648 177.706 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -81.38 104.57 11.92 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.117 174.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.432 HG23 ' HB3' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -96.1 -7.69 9.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.018 0.437 . . . . 0.0 110.516 -179.046 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.509 ' N ' ' HB2' ' A' ' 5' ' ' TYR . . . . . . . . 0 N--CA 1.445 -0.758 0 C-N-CA 120.808 -0.71 . . . . 0.0 111.961 -179.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.417 HG22 ' N ' ' A' ' 34' ' ' ASN . 83.7 m . . . . . 0 CA--C 1.543 0.682 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.417 ' N ' HG22 ' A' ' 33' ' ' THR . 86.2 m-20 -81.01 -34.6 32.8 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-O 121.718 0.771 . . . . 0.0 109.367 -176.232 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.58 ' H ' ' CD ' ' A' ' 35' ' ' GLU . 1.1 pm0 -70.75 -24.09 62.54 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 114.648 -1.16 . . . . 0.0 110.168 176.261 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -59.08 -41.03 87.07 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.306 173.542 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 59.8 mtm180 -63.93 -33.58 76.02 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.497 176.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -77.83 -20.48 53.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.454 179.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -78.46 -16.11 57.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.71 177.495 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 67.4 mtt . . . . . 0 C--N 1.333 -0.131 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.693 179.26 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.457 ' HB ' ' HA ' ' A' ' 3' ' ' LEU . 18.8 m . . . . . 0 N--CA 1.441 -0.901 0 CA-C-O 121.881 0.848 . . . . 0.0 111.284 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -119.4 95.98 5.02 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 177.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.551 ' HB ' ' O ' ' A' ' 4' ' ' HIS . 37.2 t -112.64 121.52 65.11 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.154 0 CA-C-N 115.195 -0.911 . . . . 0.0 111.599 -167.693 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.591 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 24.4 mt -97.1 118.97 34.71 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 175.624 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.587 HG21 ' CD1' ' A' ' 5' ' ' TYR . 9.4 t -134.21 -176.83 4.33 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.105 -171.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.525 HD11 HH21 ' A' ' 8' ' ' ARG . 20.6 mt -107.22 123.16 62.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.832 -179.192 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 13.8 p -76.19 164.16 26.36 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 176.306 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 46.3 tt0 -49.11 -47.95 44.87 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 123.381 0.426 . . . . 0.0 111.153 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -60.79 -41.73 96.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.694 -0.685 . . . . 0.0 112.025 -176.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.448 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 97.9 m -72.87 -46.25 53.87 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.918 179.199 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.414 ' HB2' HG22 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -51.58 -36.45 45.45 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 121.067 0.46 . . . . 0.0 110.632 174.334 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -72.33 -44.43 62.67 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.942 -178.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.97 -33.97 76.93 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-O 122.245 1.021 . . . . 0.0 108.611 177.195 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.448 ' HB2' ' O ' ' A' ' 58' ' ' CYS . 0.5 OUTLIER -63.66 -61.78 2.09 Favored 'General case' 0 N--CA 1.435 -1.184 0 CA-C-N 113.334 -1.757 . . . . 0.0 111.532 177.289 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.7 t70 . . . . . 0 C--N 1.314 -0.97 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.503 -179.668 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 . . . . . 0 N--CA 1.48 1.032 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 15.1 m -69.58 103.21 2.02 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.683 -179.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.7 ptm -138.33 152.46 48.49 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.795 -178.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -172.74 -152.53 0.06 Allowed 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.487 -177.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.824 HD22 HG11 ' A' ' 49' ' ' VAL . 23.7 mt -67.53 154.14 42.08 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 176.672 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 25.4 m170 -88.59 120.14 29.7 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 107.467 -1.309 . . . . 0.0 107.467 174.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.53 ' HB2' ' N ' ' A' ' 15' ' ' GLY . 7.0 m-30 -100.47 118.26 36.32 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.765 -172.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.728 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 96.5 m-85 -126.27 130.14 50.3 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 173.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.426 ' HB2' HG13 ' A' ' 12' ' ' VAL . 16.3 t -76.45 143.8 40.31 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 122.04 0.924 . . . . 0.0 113.232 -166.538 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.545 HH21 HD11 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -67.73 119.31 12.25 Favored 'General case' 0 N--CA 1.439 -0.996 0 CA-C-N 113.457 -1.701 . . . . 0.0 109.966 172.524 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 28.9 t60 88.05 -47.22 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 114.447 -1.252 . . . . 0.0 112.849 167.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.842 ' SG ' HG12 ' A' ' 12' ' ' VAL . 1.7 p -92.17 -12.78 31.9 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 119.476 -0.89 . . . . 0.0 110.853 -173.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.44 32.41 79.12 Favored Glycine 0 C--N 1.332 0.344 0 CA-C-N 115.449 -0.796 . . . . 0.0 114.284 172.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.842 HG12 ' SG ' ' A' ' 10' ' ' CYS . 3.9 p -91.95 143.7 10.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 117.57 0.685 . . . . 0.0 110.976 175.53 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 34.3 mtmm -84.38 97.3 9.41 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.382 -0.827 . . . . 0.0 109.838 178.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.41 HG23 ' HB3' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -80.92 -16.65 12.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -175.206 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.53 ' N ' ' HB2' ' A' ' 5' ' ' TYR . . . -128.35 61.06 0.66 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.257 -179.158 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.0 t -171.69 96.26 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 179.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.513 ' HG ' ' N ' ' A' ' 18' ' ' GLU . 1.7 pt? -138.77 -43.66 0.48 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.41 0.624 . . . . 0.0 110.627 177.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.513 ' N ' ' HG ' ' A' ' 17' ' ' LEU . 10.6 pt-20 -99.83 23.9 9.11 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.826 -177.338 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.5 m -65.94 -15.83 63.33 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.399 -178.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.9 m -57.93 -40.77 81.27 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.19 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.41 ' SD ' ' N ' ' A' ' 21' ' ' MET . 1.0 OUTLIER -115.14 -24.4 8.54 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.371 0.605 . . . . 0.0 110.09 -179.299 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 59.0 t -94.0 80.07 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.773 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.549 176.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.8 m -75.24 79.07 2.35 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.795 -179.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.0 t -132.09 5.5 4.17 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 115.157 -0.928 . . . . 0.0 109.593 176.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -96.81 -23.76 16.23 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.277 -173.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 24.0 t -104.08 132.28 50.49 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.924 -174.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.8 tt -79.85 138.05 37.1 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.344 178.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -74.26 77.92 0.99 Allowed Glycine 0 N--CA 1.447 -0.603 0 N-CA-C 111.711 -0.556 . . . . 0.0 111.711 177.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -51.92 -70.12 0.09 Allowed 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 122.835 0.454 . . . . 0.0 111.695 -178.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -141.64 -86.25 0.17 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.522 0.677 . . . . 0.0 110.251 179.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 13.7 t-80 -144.99 65.1 1.27 Allowed 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 114.848 -1.069 . . . . 0.0 110.253 -177.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -90.68 -85.44 0.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.862 -177.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.573 ' O ' ' HG3' ' A' ' 37' ' ' ARG . 44.3 p -111.98 -175.77 2.77 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 122.4 -0.187 . . . . 0.0 110.874 -179.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -64.93 -27.19 68.68 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 175.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -65.53 -47.25 76.55 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.733 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -65.01 -34.62 78.87 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.943 177.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.573 ' HG3' ' O ' ' A' ' 33' ' ' THR . 90.1 mtt180 -61.8 -33.13 73.57 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.047 176.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -73.69 -40.1 63.89 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.993 0.425 . . . . 0.0 110.912 -178.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -78.92 -10.28 59.76 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.788 179.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.426 ' HG2' ' O ' ' A' ' 40' ' ' MET . 45.8 ttm -61.98 -10.54 10.0 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 122.914 0.485 . . . . 0.0 111.731 -175.441 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.407 ' C ' ' H ' ' A' ' 43' ' ' TYR . 13.2 tt -52.14 153.58 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.169 173.735 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.0 t -77.54 36.7 0.21 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.078 0.466 . . . . 0.0 111.873 -172.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.407 ' H ' ' C ' ' A' ' 41' ' ' ILE . 48.2 t80 -169.87 107.5 0.37 Allowed 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 176.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.472 ' CD ' ' HB2' ' A' ' 48' ' ' ASP . 98.6 mttt -48.03 107.6 0.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 O-C-N 124.051 0.844 . . . . 0.0 111.838 -174.014 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -74.3 -28.01 60.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.749 -178.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -63.05 -15.67 57.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.993 176.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 100.74 -24.34 32.39 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 121.055 -0.593 . . . . 0.0 113.047 174.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.472 ' HB2' ' CD ' ' A' ' 44' ' ' LYS . 33.1 t70 54.65 58.25 5.03 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 121.91 0.862 . . . . 0.0 109.131 -173.299 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.824 HG11 HD22 ' A' ' 3' ' ' LEU . 0.0 OUTLIER -136.31 111.34 11.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 114.837 -1.074 . . . . 0.0 111.04 -174.296 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -123.9 91.46 3.47 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 179.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.8 m -106.56 139.04 29.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.505 -173.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.728 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 10.5 mp -99.96 115.09 28.87 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.62 176.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 13.6 t -132.11 -179.64 5.54 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.519 -172.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.545 HD11 HH21 ' A' ' 8' ' ' ARG . 31.5 mt -94.77 125.49 47.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.832 -179.635 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.592 ' SG ' ' HB3' ' A' ' 57' ' ' ASP . 17.3 p -82.3 175.21 10.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.294 175.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -56.17 -45.52 79.67 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.045 0.45 . . . . 0.0 109.997 178.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.592 ' HB3' ' SG ' ' A' ' 55' ' ' CYS . 4.4 t70 -57.54 -49.37 76.55 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.219 -0.9 . . . . 0.0 112.061 179.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 92.2 m -73.34 -35.14 65.98 Favored 'General case' 0 C--O 1.218 -0.587 0 C-N-CA 120.368 -0.533 . . . . 0.0 111.067 -176.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.79 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 0.2 OUTLIER -55.72 -38.31 69.57 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-O 121.178 0.513 . . . . 0.0 109.884 170.746 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -76.97 -33.24 57.65 Favored 'General case' 0 N--CA 1.428 -1.549 0 O-C-N 121.022 -1.049 . . . . 0.0 111.394 178.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.573 ' HB1' ' CD2' ' A' ' 68' ' ' TYR . . . -56.23 -30.3 62.18 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 122.081 0.943 . . . . 0.0 108.616 167.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.79 ' HB2' ' O ' ' A' ' 59' ' ' GLN . 0.1 OUTLIER -77.06 -59.18 2.89 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 113.737 -1.574 . . . . 0.0 111.469 -178.765 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -72.79 -27.43 61.98 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.142 -0.935 . . . . 0.0 112.316 -173.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 54.2 mtm180 -92.5 -22.5 19.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 121.987 -0.446 . . . . 0.0 111.62 -178.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -133.67 126.0 18.76 Favored Pre-proline 0 C--N 1.324 -0.511 0 N-CA-C 110.229 -0.286 . . . . 0.0 110.229 179.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.05 102.88 0.08 OUTLIER 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.804 2.336 . . . . 0.0 112.699 -178.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 62.67 26.35 15.61 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.93 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.573 ' CD2' ' HB1' ' A' ' 61' ' ' ALA . 16.9 t80 53.06 66.3 1.27 Allowed 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.958 -176.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 63.2 m-70 65.73 -176.38 0.18 Allowed 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.888 177.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -106.01 -177.09 3.26 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.237 -179.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -76.74 -61.35 2.0 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.943 0.401 . . . . 0.0 110.233 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 23.3 t60 -152.72 -49.05 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.732 -178.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.1 m . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.562 -0.732 . . . . 0.0 111.044 -175.584 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 . . . . . 0 N--CA 1.478 0.947 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 49.2 m 64.9 46.89 2.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.387 0.613 . . . . 0.0 111.294 179.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.454 ' SD ' ' HA ' ' A' ' 16' ' ' SER . 71.8 mtm -120.84 149.09 43.12 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.172 173.208 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -117.93 -56.54 2.18 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.458 0.647 . . . . 0.0 110.333 -178.002 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.471 ' HA ' ' HB ' ' A' ' 49' ' ' VAL . 7.7 mp -117.86 153.28 33.79 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.021 178.161 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.608 ' HB2' ' O ' ' A' ' 49' ' ' VAL . 67.3 m170 -95.17 121.99 37.39 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 178.526 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.544 ' CD2' HG21 ' A' ' 53' ' ' THR . 4.2 m-30 -95.55 123.88 39.31 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 115.219 -0.901 . . . . 0.0 110.518 -176.46 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.546 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 70.9 m-85 -128.34 134.43 48.87 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 174.24 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.637 ' HB3' ' HB2' ' A' ' 10' ' ' CYS . 11.8 t -80.19 135.98 36.39 Favored 'General case' 0 CA--C 1.506 -0.724 0 CA-C-O 121.57 0.7 . . . . 0.0 112.684 -172.012 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.2 ppt_? -67.7 123.05 19.42 Favored 'General case' 0 N--CA 1.436 -1.14 0 CA-C-N 114.692 -1.14 . . . . 0.0 108.884 171.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 20.3 t-80 85.49 -7.65 0.84 Allowed 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.585 -1.188 . . . . 0.0 111.292 172.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.637 ' HB2' ' HB3' ' A' ' 7' ' ' CYS . 62.6 m -116.13 -41.86 3.12 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.152 0.501 . . . . 0.0 110.619 175.603 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 84.88 -4.83 84.45 Favored Glycine 0 N--CA 1.444 -0.803 0 C-N-CA 120.714 -0.755 . . . . 0.0 111.825 -174.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.608 HG12 ' HB2' ' A' ' 10' ' ' CYS . 2.1 p -63.19 131.9 28.85 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.504 0 CA-C-O 121.462 0.649 . . . . 0.0 111.962 -177.544 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.536 ' H ' ' HD2' ' A' ' 13' ' ' LYS . 2.1 mptp? -76.41 95.71 3.88 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 114.336 -1.302 . . . . 0.0 108.82 179.267 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -73.92 -37.4 47.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.593 -0.731 . . . . 0.0 111.034 -171.403 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.529 ' N ' ' HB2' ' A' ' 5' ' ' TYR . . . -103.92 -46.98 1.3 Allowed Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.444 -0.884 . . . . 0.0 112.754 -175.167 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.454 ' HA ' ' SD ' ' A' ' 1' ' ' MET . 2.5 p -87.55 81.17 7.83 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.423 0.63 . . . . 0.0 110.726 -178.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.707 HD23 ' H ' ' A' ' 17' ' ' LEU . 2.6 pt? -102.22 -21.18 14.42 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.145 -177.455 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -62.43 -30.51 71.28 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.555 -1.202 . . . . 0.0 110.216 176.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.9 m -148.56 113.09 5.32 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.074 -0.966 . . . . 0.0 109.438 175.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.7 m -121.2 -19.78 6.97 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.013 -178.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -149.79 18.72 0.9 Allowed 'General case' 0 CA--C 1.515 -0.398 0 CA-C-O 122.159 0.98 . . . . 0.0 108.914 174.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 28.5 m -137.76 24.3 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 CA-C-N 113.964 -1.471 . . . . 0.0 109.822 -174.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.0 m -73.57 111.29 8.58 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.112 -0.949 . . . . 0.0 110.963 -175.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.0 p -83.37 9.06 11.85 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.457 0.646 . . . . 0.0 110.93 179.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -84.78 -19.57 32.38 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 122.071 0.939 . . . . 0.0 108.883 175.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.3 t -74.91 90.06 2.4 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.23 -1.35 . . . . 0.0 110.698 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 69.5 mt -103.28 -79.9 0.53 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.775 177.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 65.07 105.91 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.863 -0.684 . . . . 0.0 111.431 -171.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.74 ' CD2' HD12 ' A' ' 32' ' ' LEU . 20.3 m-30 -79.18 170.56 16.46 Favored 'General case' 0 N--CA 1.435 -1.198 0 CA-C-O 121.617 0.722 . . . . 0.0 109.349 -178.222 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -126.65 -49.06 1.51 Allowed 'General case' 0 C--N 1.303 -1.434 0 CA-C-N 114.689 -1.141 . . . . 0.0 111.905 -173.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 16.4 t-80 -124.19 21.37 8.84 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.058 0.456 . . . . 0.0 111.025 -173.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.74 HD12 ' CD2' ' A' ' 29' ' ' PHE . 10.4 mt -90.5 160.12 16.15 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 173.698 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.515 HG23 ' HG2' ' A' ' 35' ' ' GLU . 7.3 t -80.12 179.81 7.43 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.969 0.414 . . . . 0.0 111.513 -171.608 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 24.4 p-10 -55.5 -52.49 63.5 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.827 -175.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.515 ' HG2' HG23 ' A' ' 33' ' ' THR . 13.1 pt-20 -64.31 -24.88 67.81 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.693 0.283 . . . . 0.0 111.145 -178.166 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.475 ' HG2' HG22 ' A' ' 33' ' ' THR . 34.7 mm-40 -76.67 -30.75 56.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.287 0.565 . . . . 0.0 110.319 177.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.493 ' HG3' ' O ' ' A' ' 33' ' ' THR . 88.2 mtt180 -84.57 -43.04 14.85 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.045 -178.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 19.3 m120 -76.67 -33.6 58.27 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -174.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -75.91 -45.66 34.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.016 0.436 . . . . 0.0 110.467 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -86.22 23.02 1.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.859 179.095 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.634 ' O ' ' HB2' ' A' ' 42' ' ' SER . 15.2 tt -62.89 174.36 0.38 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.646 -178.359 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.634 ' HB2' ' O ' ' A' ' 41' ' ' ILE . 21.3 m 83.96 -20.24 0.32 Allowed 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.763 0.825 . . . . 0.0 111.706 -178.297 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -75.58 44.37 0.28 Allowed 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.951 -175.114 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -103.75 -177.67 3.44 Favored 'General case' 0 C--N 1.318 -0.778 0 O-C-N 122.201 -0.312 . . . . 0.0 110.921 -175.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -62.9 -40.03 96.32 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.775 0.321 . . . . 0.0 111.6 -176.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -81.15 -17.58 49.32 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.927 0.394 . . . . 0.0 110.519 179.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.6 25.27 61.07 Favored Glycine 0 N--CA 1.451 -0.332 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.969 178.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.5 ' HB2' ' HA ' ' A' ' 42' ' ' SER . 21.0 t70 68.93 -64.77 0.31 Allowed 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.345 0.658 . . . . 0.0 111.606 -177.653 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.608 ' O ' ' HB2' ' A' ' 4' ' ' HIS . 10.5 m -65.02 94.5 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.888 0 CA-C-O 121.72 0.771 . . . . 0.0 110.845 178.305 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 36.3 t-80 -124.06 91.41 3.45 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.096 -177.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.8 m -112.1 126.85 69.54 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.802 -177.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.546 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 3.2 mm? -92.55 114.85 27.51 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.348 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.544 HG21 ' CD2' ' A' ' 5' ' ' TYR . 13.7 t -133.02 -171.04 2.58 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.568 -173.613 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.418 HD13 HD22 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -103.61 127.03 58.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.236 0.541 . . . . 0.0 111.059 -178.528 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 22.3 p -76.11 169.3 18.45 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.953 -179.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 -53.82 -42.13 68.09 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.953 0.406 . . . . 0.0 110.253 178.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -61.42 -48.38 81.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.029 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.445 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 30.5 m -61.91 -52.85 62.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.761 176.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -54.68 -34.21 61.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.642 -179.7 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -68.44 -46.17 70.56 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 111.79 0.293 . . . . 0.0 111.79 -179.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.41 -33.4 75.62 Favored 'General case' 0 CA--C 1.512 -0.511 0 CA-C-O 122.194 0.997 . . . . 0.0 108.531 178.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.445 ' HB2' ' O ' ' A' ' 58' ' ' CYS . 0.4 OUTLIER -65.08 -57.95 7.31 Favored 'General case' 0 N--CA 1.437 -1.076 0 CA-C-N 113.119 -1.855 . . . . 0.0 111.941 178.857 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -57.67 -37.63 73.74 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.579 -1.191 . . . . 0.0 111.268 -179.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -61.57 -63.78 1.16 Allowed 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 175.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -161.79 126.76 2.13 Favored Pre-proline 0 C--N 1.324 -0.525 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 177.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -53.2 -22.05 18.71 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 123.585 2.856 . . . . 0.0 113.747 -177.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 -84.66 64.78 8.7 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.457 0.646 . . . . 0.0 110.184 179.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.576 ' O ' ' HB2' ' A' ' 69' ' ' HIS . 23.9 p90 -89.3 22.23 2.96 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.417 179.252 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.576 ' HB2' ' O ' ' A' ' 68' ' ' TYR . 29.4 m80 80.37 83.23 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.292 0 O-C-N 123.993 0.808 . . . . 0.0 111.389 -176.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -76.41 99.02 4.73 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.928 175.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 30.3 p90 -66.04 -42.17 89.89 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.653 -0.703 . . . . 0.0 112.245 -175.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 59.3 85.6 0.1 Allowed 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.76 0.314 . . . . 0.0 110.582 -173.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 26.6 m . . . . . 0 C--O 1.247 0.946 0 CA-C-O 118.378 -0.82 . . . . 0.0 110.128 178.575 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 . . . . . 0 N--CA 1.482 1.162 0 CA-C-O 120.766 0.317 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 22.7 m -76.18 -28.54 57.34 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.411 0.624 . . . . 0.0 109.717 174.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.2 ttt -132.42 145.25 51.07 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.626 175.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.411 ' O ' HG21 ' A' ' 49' ' ' VAL . . . -143.79 -70.02 0.31 Allowed 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.063 -178.711 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.496 ' HA ' ' CG2' ' A' ' 49' ' ' VAL . 6.1 mp -90.46 155.08 19.17 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.933 -176.215 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 -95.39 122.52 38.19 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.514 177.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.62 ' HB2' ' N ' ' A' ' 15' ' ' GLY . 5.7 m-30 -95.46 128.13 42.07 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.443 -179.199 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.437 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 83.6 m-85 -130.65 135.79 48.2 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 173.63 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.624 ' HB3' ' HB2' ' A' ' 10' ' ' CYS . 35.0 t -79.81 138.33 37.2 Favored 'General case' 0 CA--C 1.511 -0.528 0 CA-C-O 121.894 0.854 . . . . 0.0 113.254 -170.448 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.51 ' O ' ' HB3' ' A' ' 9' ' ' HIS . 40.3 ttp85 -55.31 116.37 2.79 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 113.578 -1.646 . . . . 0.0 109.567 166.501 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.51 ' HB3' ' O ' ' A' ' 8' ' ' ARG . 14.1 t-160 85.26 -49.24 0.08 Allowed 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.822 0.849 . . . . 0.0 111.315 173.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.624 ' HB2' ' HB3' ' A' ' 7' ' ' CYS . 62.5 m -70.51 -40.17 73.68 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.23 0.538 . . . . 0.0 110.839 179.087 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 78.74 4.83 88.32 Favored Glycine 0 N--CA 1.447 -0.57 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.654 -174.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.605 HG12 ' HB2' ' A' ' 10' ' ' CYS . 2.6 p -71.43 135.55 27.72 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.619 0 CA-C-O 121.317 0.58 . . . . 0.0 112.127 -176.461 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.611 ' HD3' ' H ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -72.99 94.12 1.83 Allowed 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 114.889 -1.051 . . . . 0.0 109.381 179.072 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -73.33 -21.9 19.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.139 0.495 . . . . 0.0 110.028 -176.779 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.62 ' N ' ' HB2' ' A' ' 5' ' ' TYR . . . -113.24 22.41 15.7 Favored Glycine 0 N--CA 1.447 -0.592 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.776 -176.316 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.484 ' HA ' ' OG ' ' A' ' 19' ' ' SER . 10.5 t -149.51 77.02 1.33 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.885 0.85 . . . . 0.0 109.954 176.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.406 HD23 ' N ' ' A' ' 17' ' ' LEU . 2.2 pt? -136.84 -26.5 1.05 Allowed 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 114.393 -1.276 . . . . 0.0 109.492 178.243 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.62 -23.95 14.89 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 114.463 -1.244 . . . . 0.0 109.955 177.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.484 ' OG ' ' HA ' ' A' ' 16' ' ' SER . 1.7 p -78.23 -20.47 51.67 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.962 -1.017 . . . . 0.0 111.625 -178.749 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.9 m -52.66 -35.85 55.85 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.129 -0.941 . . . . 0.0 111.985 -178.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 67.1 mtt -107.48 16.98 23.29 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-O 121.634 0.731 . . . . 0.0 110.358 -176.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 76.0 t -115.03 128.53 72.15 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-N 115.025 -0.988 . . . . 0.0 110.021 -179.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 30.0 m -67.75 113.43 5.51 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.566 -179.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.7 m -58.5 116.68 3.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.975 -178.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -96.33 -21.7 17.65 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.447 -177.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 46.7 t -67.4 -88.85 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.62 -177.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.4 HD13 ' CZ ' ' A' ' 29' ' ' PHE . 50.6 mt 63.4 157.63 0.07 Allowed 'General case' 0 CA--C 1.531 0.216 0 CA-C-O 121.816 0.817 . . . . 0.0 111.912 177.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -87.66 25.13 8.74 Favored Glycine 0 N--CA 1.449 -0.435 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.916 174.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.4 ' CZ ' HD13 ' A' ' 27' ' ' LEU . 51.4 p90 -158.3 167.44 29.75 Favored 'General case' 0 N--CA 1.444 -0.738 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.436 ' HG3' ' N ' ' A' ' 31' ' ' HIS . 4.0 pt20 -95.86 -47.05 6.31 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.143 -175.068 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.436 ' N ' ' HG3' ' A' ' 30' ' ' GLN . 43.7 t-80 -175.1 56.22 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 178.135 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.9 mp -81.2 -176.08 5.78 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.055 -177.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.3 p -68.89 170.88 8.85 Favored 'General case' 0 N--CA 1.446 -0.646 0 N-CA-C 112.651 0.611 . . . . 0.0 112.651 -174.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 25.7 m-80 -59.64 -39.93 86.0 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.67 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -61.29 -25.99 67.48 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.645 -177.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -71.32 -45.62 62.57 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 120.901 0.382 . . . . 0.0 110.4 179.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -76.29 -26.43 55.88 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-O 120.89 0.376 . . . . 0.0 111.092 -178.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -72.36 -39.13 68.31 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 175.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -78.25 -58.12 3.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.756 0.312 . . . . 0.0 111.715 -179.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 43.5 ttp -84.46 -5.97 59.33 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.92 -173.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 49.6 mm 69.76 -74.53 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.283 178.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 50.7 m -150.27 -64.12 0.21 Allowed 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 178.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 66.6 t80 67.3 128.9 0.02 OUTLIER 'General case' 0 C--N 1.334 -0.092 0 O-C-N 124.147 0.904 . . . . 0.0 111.594 179.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.408 ' HE2' ' O ' ' A' ' 2' ' ' ALA . 30.2 mmmt -90.37 122.8 33.57 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.676 174.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -63.57 -11.41 24.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.095 -179.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -74.99 18.92 0.16 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.587 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.29 25.61 39.3 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 121.046 -0.597 . . . . 0.0 112.249 179.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 32.0 t70 61.13 113.83 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.5 0.666 . . . . 0.0 110.864 -173.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.496 ' CG2' ' HA ' ' A' ' 3' ' ' LEU . 1.5 m -114.52 93.98 2.86 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 CA-C-O 121.609 0.718 . . . . 0.0 111.287 -172.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -119.69 103.33 9.29 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.437 -177.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.6 m -119.22 142.33 34.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.126 0.489 . . . . 0.0 111.515 -177.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.437 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 84.8 mt -103.24 133.48 48.26 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.668 177.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.534 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 14.6 t -152.51 179.65 8.39 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.155 -177.278 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -91.56 128.91 42.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.186 179.077 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 20.6 p -73.04 162.97 28.84 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.907 178.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -53.77 -39.82 65.73 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.968 0.413 . . . . 0.0 110.35 -178.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -63.44 -46.7 85.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.206 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.639 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 11.0 m -57.69 -50.39 73.36 Favored 'General case' 0 C--O 1.223 -0.329 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 174.442 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -51.78 -43.86 63.18 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.242 176.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -67.81 -46.42 71.94 Favored 'General case' 0 N--CA 1.436 -1.16 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.864 -177.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.57 -32.62 73.5 Favored 'General case' 0 CA--C 1.504 -0.813 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 -178.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.639 ' HB2' ' O ' ' A' ' 58' ' ' CYS . 0.6 OUTLIER -60.69 -56.61 19.2 Favored 'General case' 0 N--CA 1.431 -1.379 0 CA-C-N 113.838 -1.528 . . . . 0.0 111.675 179.035 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -67.6 -31.09 70.9 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.008 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 76.4 ttt180 -73.2 -47.78 40.7 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.725 178.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 31.7 t30 -138.87 111.53 8.09 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.717 -177.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -61.62 -21.26 71.63 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 123.02 2.48 . . . . 0.0 112.063 177.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 39.2 m-70 -95.78 52.42 1.34 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.493 179.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -54.27 114.77 1.76 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.459 -174.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 41.0 t-80 -70.85 107.02 3.82 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.508 178.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.424 ' HB3' ' CE1' ' A' ' 9' ' ' HIS . 37.2 mt-10 -121.63 5.11 10.07 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.41 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 46.5 t80 69.61 -75.69 0.07 Allowed 'General case' 0 N--CA 1.464 0.23 0 O-C-N 123.804 0.69 . . . . 0.0 110.544 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 59.82 94.01 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 123.131 0.572 . . . . 0.0 111.64 178.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.3 m . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.301 -0.857 . . . . 0.0 110.314 178.432 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 . . . . . 0 N--CA 1.48 1.063 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 1.4 m -122.12 42.16 3.21 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.905 0.383 . . . . 0.0 110.728 -175.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.4 ppp? -150.24 159.84 44.14 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.997 0.427 . . . . 0.0 111.231 -178.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.439 ' O ' HG21 ' A' ' 49' ' ' VAL . . . -140.31 -52.16 0.49 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.629 176.049 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.418 ' HA ' ' CG2' ' A' ' 49' ' ' VAL . 6.5 mp -111.28 155.79 22.48 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 114.833 -1.076 . . . . 0.0 108.717 174.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 50.1 m80 -88.31 121.41 30.68 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-O 121.359 0.6 . . . . 0.0 109.426 178.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.546 ' CD1' HG21 ' A' ' 53' ' ' THR . 2.8 m-30 -93.42 117.62 30.3 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-N 114.917 -1.038 . . . . 0.0 109.972 -178.678 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -121.44 143.94 48.96 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-O 121.441 0.639 . . . . 0.0 109.955 174.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.655 ' HB3' ' O ' ' A' ' 12' ' ' VAL . 0.0 OUTLIER -81.58 121.56 26.47 Favored 'General case' 0 N--CA 1.434 -1.228 0 CA-C-N 114.988 -1.006 . . . . 0.0 111.988 -172.555 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.513 ' HG2' ' O ' ' A' ' 53' ' ' THR . 5.6 ptm180 -61.3 125.14 22.68 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 114.331 -1.304 . . . . 0.0 109.975 166.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 21.0 t60 86.57 -59.62 0.05 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.122 -0.945 . . . . 0.0 113.12 168.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -81.32 -22.16 38.7 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 119.658 -0.817 . . . . 0.0 110.714 -172.235 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.435 ' N ' ' SG ' ' A' ' 7' ' ' CYS . . . 84.14 22.39 54.86 Favored Glycine 0 C--N 1.332 0.332 0 C-N-CA 121.229 -0.51 . . . . 0.0 114.315 172.293 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.655 ' O ' ' HB3' ' A' ' 7' ' ' CYS . 2.0 p -94.25 137.35 23.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 117.83 0.815 . . . . 0.0 112.22 179.466 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.541 ' H ' ' HD2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -79.75 107.32 12.43 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.628 -178.83 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -93.6 -5.09 10.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.647 -175.63 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.443 ' HA3' ' H ' ' A' ' 5' ' ' TYR . . . -100.67 4.96 56.63 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.457 -0.878 . . . . 0.0 112.683 -177.186 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.3 p -128.24 86.12 2.42 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.025 0.441 . . . . 0.0 111.057 -177.106 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.412 HD23 ' H ' ' A' ' 17' ' ' LEU . 1.1 pt? -113.25 -18.18 12.15 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.402 0.62 . . . . 0.0 109.377 177.196 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -80.53 69.92 7.12 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.826 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.417 ' C ' ' H ' ' A' ' 21' ' ' MET . 45.9 p -122.22 172.09 8.54 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.656 177.172 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.9 t 73.55 -36.11 0.34 Allowed 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 123.288 0.635 . . . . 0.0 111.1 -179.031 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.417 ' H ' ' C ' ' A' ' 19' ' ' SER . 90.0 mtp -90.39 12.71 17.6 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.266 0.555 . . . . 0.0 110.743 179.037 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.505 HG22 ' H ' ' A' ' 24' ' ' THR . 6.4 p -144.09 130.98 16.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.586 -178.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.0 t -118.11 16.96 14.12 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.811 0.815 . . . . 0.0 109.488 178.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.505 ' H ' HG22 ' A' ' 22' ' ' VAL . 41.7 m -132.26 87.15 2.4 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.818 -1.083 . . . . 0.0 110.454 178.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -90.96 -32.35 16.0 Favored 'General case' 0 CA--C 1.514 -0.433 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 176.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.3 t -66.09 102.8 0.86 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.887 -1.051 . . . . 0.0 109.607 175.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 34.1 mt 64.07 96.17 0.04 OUTLIER 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 121.916 0.865 . . . . 0.0 110.279 -175.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -93.96 78.88 1.0 Allowed Glycine 0 N--CA 1.445 -0.724 0 CA-C-N 114.766 -1.107 . . . . 0.0 112.986 -171.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 7.3 p90 -147.19 -168.7 3.12 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 173.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -138.35 -47.0 0.51 Allowed 'General case' 0 C--N 1.317 -0.823 0 C-N-CA 120.743 -0.383 . . . . 0.0 111.216 -175.51 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.482 ' O ' HD23 ' A' ' 32' ' ' LEU . 53.7 t-80 -164.41 103.08 0.84 Allowed 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.465 176.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.482 HD23 ' O ' ' A' ' 31' ' ' HIS . 42.6 mt -132.0 153.63 50.16 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.077 -174.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.534 ' O ' ' HB3' ' A' ' 36' ' ' GLU . 51.5 m -130.06 -81.0 0.55 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.68 0.276 . . . . 0.0 111.038 -178.349 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -81.48 -24.24 36.87 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 173.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -67.5 -42.44 82.85 Favored 'General case' 0 C--O 1.215 -0.74 0 CA-C-N 114.087 -1.415 . . . . 0.0 108.561 173.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.534 ' HB3' ' O ' ' A' ' 33' ' ' THR . 5.9 tp10 -48.63 -43.34 36.36 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.031 -1.44 . . . . 0.0 110.488 175.614 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -66.68 -43.5 84.27 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.354 -179.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -78.34 -42.69 29.85 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -176.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.58 ' O ' ' HB3' ' A' ' 43' ' ' TYR . 3.8 m-20 -70.12 -27.95 64.99 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.819 -175.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 31.4 tpp -79.66 22.41 0.47 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.489 0.661 . . . . 0.0 110.596 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 39.6 mm -108.27 -73.96 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.773 178.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.426 ' HB3' ' OD2' ' A' ' 48' ' ' ASP . 13.9 m -107.49 -13.53 15.06 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.136 0.493 . . . . 0.0 110.986 -174.494 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.58 ' HB3' ' O ' ' A' ' 39' ' ' ASP . 40.6 t80 -85.8 -18.86 31.76 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.507 -178.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 64.0 pttt -72.89 -179.93 3.41 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.376 0.608 . . . . 0.0 111.981 -174.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -70.15 -10.69 59.6 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.495 -0.775 . . . . 0.0 112.949 -169.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -57.06 -22.32 38.18 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.375 0.607 . . . . 0.0 110.121 177.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 106.38 -37.41 3.83 Favored Glycine 0 N--CA 1.446 -0.695 0 CA-C-O 118.548 -1.14 . . . . 0.0 114.09 168.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.426 ' OD2' ' HB3' ' A' ' 42' ' ' SER . 29.0 t70 23.34 -84.62 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 124.533 1.133 . . . . 0.0 113.914 -177.224 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.439 HG21 ' O ' ' A' ' 2' ' ' ALA . 2.7 m -61.55 94.06 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 CA-C-O 121.195 0.522 . . . . 0.0 110.989 176.475 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -125.2 106.6 10.01 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.493 -176.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 10.1 m -120.04 137.5 53.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.124 0.488 . . . . 0.0 111.583 -177.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -93.98 114.46 26.65 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.366 176.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.546 HG21 ' CD1' ' A' ' 5' ' ' TYR . 14.8 t -125.64 172.93 9.35 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 120.955 0.407 . . . . 0.0 110.666 -175.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.477 HG13 ' HD3' ' A' ' 8' ' ' ARG . 6.7 mt -85.43 112.78 22.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.024 178.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.457 ' HB3' ' HB2' ' A' ' 7' ' ' CYS . 7.4 p -77.8 177.67 7.99 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 174.056 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -66.1 -31.38 72.21 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 118.639 0.654 . . . . 0.0 110.769 179.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -70.75 -36.38 73.11 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 176.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.412 ' SG ' ' O ' ' A' ' 8' ' ' ARG . 54.0 m -60.69 -51.22 70.28 Favored 'General case' 0 C--O 1.226 -0.147 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 172.061 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 22.6 tp60 -50.86 -35.3 31.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.367 -1.288 . . . . 0.0 111.422 176.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -76.45 -41.03 48.85 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.28 -179.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.6 -31.08 70.26 Favored 'General case' 0 CA--C 1.508 -0.653 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 175.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.2 mp -69.99 -60.02 2.56 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 113.58 -1.646 . . . . 0.0 111.26 177.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -60.29 -42.01 94.56 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 113.97 -1.468 . . . . 0.0 112.199 -178.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 30.0 tpt180 -69.85 -63.66 1.03 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.878 0.371 . . . . 0.0 110.876 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.419 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 88.3 m-20 -105.84 119.15 53.36 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.095 -176.592 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 65' ' ' ASN . 15.6 Cg_exo -68.04 57.01 0.83 Allowed 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 123.207 2.605 . . . . 0.0 113.592 -177.496 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 28.8 m-70 -125.84 87.89 2.76 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 175.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 24.3 p90 -144.15 179.98 6.88 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.071 -0.968 . . . . 0.0 108.999 -175.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 13.3 m-70 -80.11 78.46 6.75 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.017 0.437 . . . . 0.0 110.482 178.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -64.57 111.75 2.86 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.831 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 37.8 p90 -78.0 -28.64 49.25 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.322 -179.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 27.0 t-80 -162.26 102.1 1.1 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.258 -179.371 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 32.8 m . . . . . 0 C--O 1.251 1.146 0 CA-C-O 118.86 -0.59 . . . . 0.0 109.857 177.215 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 . . . . . 0 N--CA 1.479 1.022 0 CA-C-O 120.699 0.285 . . . . 0.0 110.82 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 24.3 m -153.93 34.64 0.44 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.001 0.429 . . . . 0.0 110.882 -178.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.1 ttm -103.26 161.76 13.55 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 175.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.418 ' O ' ' HA ' ' A' ' 48' ' ' ASP . . . 73.86 -60.05 0.54 Allowed 'General case' 0 N--CA 1.471 0.583 0 O-C-N 123.98 0.8 . . . . 0.0 110.898 -175.632 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.494 HD12 ' N ' ' A' ' 3' ' ' LEU . 1.1 mp -96.69 157.32 15.96 Favored 'General case' 0 C--N 1.312 -1.023 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 173.47 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.519 ' O ' ' HB ' ' A' ' 51' ' ' VAL . 83.2 m-70 -111.74 130.84 55.66 Favored 'General case' 0 C--N 1.309 -1.178 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.111 -173.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.59 ' CD2' HG21 ' A' ' 53' ' ' THR . 3.8 m-85 -101.56 106.21 17.26 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.28 -172.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -116.19 137.29 52.26 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 115.1 -0.954 . . . . 0.0 108.931 172.039 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.483 ' HA ' ' O ' ' A' ' 53' ' ' THR . 1.4 t -73.44 128.42 35.45 Favored 'General case' 0 C--N 1.309 -1.176 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.08 -177.214 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -78.83 120.57 23.64 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.052 164.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 47.4 t-80 103.24 -64.13 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 125.25 1.42 . . . . 0.0 112.384 175.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -81.2 -18.02 47.6 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 119.915 -0.714 . . . . 0.0 110.463 -174.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 75.81 18.66 79.5 Favored Glycine 0 C--N 1.34 0.783 0 C-N-CA 120.834 -0.698 . . . . 0.0 113.631 172.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.6 p -93.82 142.84 12.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 121.522 0.677 . . . . 0.0 112.047 179.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 32.8 mtmm -81.84 112.48 19.01 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.213 179.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -89.83 -16.78 8.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -171.36 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -100.6 -56.06 0.93 Allowed Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.086 -1.054 . . . . 0.0 111.945 -177.121 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 68.3 m -99.9 117.66 34.67 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 120.944 0.402 . . . . 0.0 110.687 178.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -109.87 -13.67 14.41 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.797 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -81.75 133.87 35.39 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.293 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 69.4 m -114.61 -15.17 12.01 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.697 172.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.3 m -67.35 -64.17 0.91 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.986 0.422 . . . . 0.0 110.495 178.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 62.2 mtt -108.75 88.68 2.79 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 175.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.6 p -124.59 7.69 4.65 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.936 0 CA-C-N 115.087 -0.961 . . . . 0.0 111.13 -172.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 32.8 t -67.13 -20.75 65.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.166 0.507 . . . . 0.0 110.357 178.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 10.2 t -79.68 -8.24 59.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.669 178.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -97.62 -15.76 20.31 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-O 121.906 0.86 . . . . 0.0 108.723 -176.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.3 t -158.71 99.48 1.56 Allowed 'General case' 0 N--CA 1.44 -0.961 0 CA-C-N 114.459 -1.246 . . . . 0.0 111.008 -172.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.563 ' HB3' ' CE1' ' A' ' 29' ' ' PHE . 36.2 mt 67.71 94.29 0.07 Allowed 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.916 0.865 . . . . 0.0 111.738 177.527 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -110.67 74.97 0.21 Allowed Glycine 0 C--N 1.312 -0.76 0 CA-C-N 114.568 -1.196 . . . . 0.0 111.733 -178.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.563 ' CE1' ' HB3' ' A' ' 27' ' ' LEU . 47.8 m-85 -86.43 -165.29 1.22 Allowed 'General case' 0 N--CA 1.442 -0.857 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -131.34 -67.53 0.69 Allowed 'General case' 0 C--N 1.311 -1.08 0 CA-C-O 121.558 0.694 . . . . 0.0 109.341 177.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 50.7 t-80 -96.79 94.82 7.48 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 114.843 -1.071 . . . . 0.0 109.844 177.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.503 ' HA ' ' HB2' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -148.0 148.81 31.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 122.587 1.184 . . . . 0.0 113.761 178.592 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.8 t -143.69 -160.79 1.16 Allowed 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 112.763 -2.017 . . . . 0.0 106.52 171.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -50.51 -47.2 57.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 118.446 0.566 . . . . 0.0 111.604 -178.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -70.7 -39.61 73.34 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.933 -176.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.503 ' HB2' ' HA ' ' A' ' 32' ' ' LEU . 5.7 mm-40 -75.75 -28.99 58.7 Favored 'General case' 0 C--O 1.223 -0.338 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 -176.542 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 53.8 ttp180 -56.54 -45.62 81.08 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.886 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.478 ' O ' HG22 ' A' ' 41' ' ' ILE . 57.9 t30 -79.24 -38.31 35.91 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.394 179.508 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -76.61 -40.84 48.12 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.087 0.402 . . . . 0.0 112.087 -173.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 87.7 mmm -79.38 -27.5 41.91 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 111.851 0.315 . . . . 0.0 111.851 -175.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.478 HG22 ' O ' ' A' ' 38' ' ' ASN . 9.8 tt -62.47 134.22 27.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 121.562 0.696 . . . . 0.0 110.405 -177.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.7 p -165.89 58.39 0.11 Allowed 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 115.059 -0.973 . . . . 0.0 108.412 179.045 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 30.6 t80 75.18 172.03 0.27 Allowed 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 114.753 -1.112 . . . . 0.0 109.043 -172.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.59 ' HB3' ' OD1' ' A' ' 48' ' ' ASP . 0.9 OUTLIER -73.14 131.97 42.68 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.153 0.502 . . . . 0.0 110.377 179.865 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -60.58 -24.66 65.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.019 -0.991 . . . . 0.0 113.384 -167.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.441 ' HB2' ' OD1' ' A' ' 48' ' ' ASP . 34.5 m-80 -88.28 0.67 55.87 Favored 'General case' 0 C--N 1.321 -0.64 0 O-C-N 122.126 -0.359 . . . . 0.0 111.963 -170.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.31 27.45 67.98 Favored Glycine 0 N--CA 1.451 -0.366 0 N-CA-C 109.893 -1.283 . . . . 0.0 109.893 -172.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.59 ' OD1' ' HB3' ' A' ' 44' ' ' LYS . 3.2 m-20 -49.79 158.03 0.52 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 114.107 -1.047 . . . . 0.0 112.751 -174.522 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.482 ' CG2' ' HG ' ' A' ' 3' ' ' LEU . 4.0 t -125.27 111.03 26.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.17 -179.326 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 12.9 t60 -73.74 114.75 12.37 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 177.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.519 ' HB ' ' O ' ' A' ' 4' ' ' HIS . 14.5 t -127.91 126.2 66.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.791 -168.261 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.1 mt -95.42 109.3 21.5 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 173.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.59 HG21 ' CD2' ' A' ' 5' ' ' TYR . 8.2 t -123.22 160.21 27.06 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.157 -174.342 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.45 HD13 HD11 ' A' ' 62' ' ' LEU . 1.5 mt -86.62 113.89 25.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-O 121.593 0.711 . . . . 0.0 109.875 179.04 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 5.3 p -78.84 164.09 24.77 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 114.896 -1.047 . . . . 0.0 108.783 177.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.45 ' HA ' ' HB3' ' A' ' 59' ' ' GLN . 31.7 tt0 -50.2 -37.05 33.3 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -173.579 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -58.95 -49.45 77.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.522 0.201 . . . . 0.0 111.526 -178.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -74.52 -34.09 62.93 Favored 'General case' 0 C--O 1.218 -0.598 0 C-N-CA 120.435 -0.506 . . . . 0.0 109.723 178.57 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.755 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 24.2 tp60 -56.25 -35.54 67.51 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 122.982 0.513 . . . . 0.0 112.299 173.062 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -78.2 -39.9 39.2 Favored 'General case' 0 C--N 1.315 -0.901 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.756 176.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -52.93 -31.36 39.72 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 122.308 1.051 . . . . 0.0 109.082 168.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.755 ' HB2' ' O ' ' A' ' 59' ' ' GLN . 0.2 OUTLIER -71.19 -60.82 2.02 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 113.424 -1.716 . . . . 0.0 111.36 -179.759 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -69.92 -37.73 76.03 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.62 -1.173 . . . . 0.0 111.59 -173.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.477 ' HG3' ' O ' ' A' ' 66' ' ' PRO . 31.2 tpt180 -123.13 83.31 2.11 Favored 'General case' 0 N--CA 1.437 -1.116 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.721 -177.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.423 ' HB2' ' HD3' ' A' ' 66' ' ' PRO . 0.9 OUTLIER -59.3 -47.53 97.99 Favored Pre-proline 0 CA--C 1.535 0.388 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.347 174.921 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.477 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 38.7 Cg_exo -59.33 140.69 95.66 Favored 'Trans proline' 0 C--N 1.357 1.009 0 C-N-CA 121.889 1.726 . . . . 0.0 111.611 173.39 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.433 ' HB2' ' O ' ' A' ' 66' ' ' PRO . 21.1 m-70 71.45 10.74 6.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.602 -177.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -127.16 135.81 51.21 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 171.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 15.5 m-70 -77.5 98.4 5.32 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.837 177.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -82.48 159.25 22.93 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.986 -175.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 43.3 m-85 -139.12 170.87 15.18 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.344 -0.843 . . . . 0.0 109.82 178.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 51.3 t60 -77.23 62.66 2.33 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.234 0.54 . . . . 0.0 110.315 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.8 t . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.245 -0.883 . . . . 0.0 109.893 179.141 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 . . . . . 0 N--CA 1.481 1.098 0 N-CA-C 110.67 -0.122 . . . . 0.0 110.67 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 61.9 m 57.95 58.02 3.82 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.359 0.6 . . . . 0.0 110.962 -178.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 85.0 mmm -110.71 147.29 34.68 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.623 178.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.573 ' O ' HG21 ' A' ' 49' ' ' VAL . . . -152.97 -72.05 0.14 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.829 179.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.481 ' HA ' ' HB ' ' A' ' 49' ' ' VAL . 5.7 mp -122.55 156.9 33.24 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.19 -0.671 . . . . 0.0 109.19 176.657 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.469 ' HB2' ' O ' ' A' ' 49' ' ' VAL . 27.2 m170 -111.41 121.63 45.72 Favored 'General case' 0 CA--C 1.5 -0.966 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 -173.785 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.714 ' HB2' ' N ' ' A' ' 15' ' ' GLY . 3.0 m-30 -99.53 128.73 45.65 Favored 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.124 -177.196 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.488 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 78.6 m-85 -130.29 124.28 32.0 Favored 'General case' 0 C--N 1.313 -0.99 0 N-CA-C 107.518 -1.29 . . . . 0.0 107.518 174.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.644 ' HB3' ' HB2' ' A' ' 10' ' ' CYS . 42.4 t -73.28 142.94 47.18 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 113.653 0.983 . . . . 0.0 113.653 -164.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.477 ' O ' ' HB3' ' A' ' 9' ' ' HIS . 16.9 ttp85 -58.18 114.86 2.58 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 113.654 -1.612 . . . . 0.0 109.627 167.64 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.477 ' HB3' ' O ' ' A' ' 8' ' ' ARG . 16.2 t-80 84.0 -27.43 0.1 Allowed 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.789 0.835 . . . . 0.0 112.283 172.49 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.659 ' HB2' HG12 ' A' ' 12' ' ' VAL . 60.7 m -94.44 -32.91 13.33 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.254 0.55 . . . . 0.0 110.901 178.198 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 73.07 0.73 53.79 Favored Glycine 0 N--CA 1.446 -0.688 0 CA-C-N 115.498 -0.774 . . . . 0.0 112.053 -173.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.659 HG12 ' HB2' ' A' ' 10' ' ' CYS . 3.2 p -69.2 136.69 25.78 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 CA-C-O 121.456 0.646 . . . . 0.0 112.091 -174.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.525 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 50.9 mttm -75.79 95.12 3.4 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.682 -1.145 . . . . 0.0 110.035 -177.277 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -81.46 -12.91 12.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.522 -177.684 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.714 ' N ' ' HB2' ' A' ' 5' ' ' TYR . . . -135.3 45.56 1.09 Allowed Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.932 -0.651 . . . . 0.0 111.73 -176.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.412 ' HB3' ' HB3' ' A' ' 13' ' ' LYS . 22.0 t -164.84 87.3 0.44 Allowed 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 178.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.49 HD23 ' H ' ' A' ' 17' ' ' LEU . 1.2 pt? -114.14 -21.19 10.63 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.608 -177.597 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -84.2 42.85 0.9 Allowed 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.232 177.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.443 ' HA ' ' O ' ' A' ' 22' ' ' VAL . 42.5 m -102.62 -2.54 28.18 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.58 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.2 m -55.16 -58.45 7.64 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 114.515 -1.221 . . . . 0.0 112.546 -175.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 25.8 ptm -100.3 -14.86 18.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.078 0.466 . . . . 0.0 110.464 -177.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.443 ' O ' ' HA ' ' A' ' 19' ' ' SER . 6.0 p -133.81 104.65 6.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 121.454 0.645 . . . . 0.0 110.624 -178.587 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 41.1 m -60.91 119.64 8.63 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.136 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.3 m -81.75 21.05 0.87 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.855 0.836 . . . . 0.0 110.606 -175.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -92.24 -16.02 26.72 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.19 -0.914 . . . . 0.0 108.708 176.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 42.6 t -58.69 140.16 55.09 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 114.393 -1.276 . . . . 0.0 111.126 -179.024 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.423 ' H ' HD11 ' A' ' 32' ' ' LEU . 7.1 mp -73.29 164.54 26.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.095 177.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -78.44 59.82 4.03 Favored Glycine 0 N--CA 1.454 -0.159 0 C-N-CA 121.086 -0.578 . . . . 0.0 113.426 -174.002 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.463 ' HB2' HD22 ' A' ' 32' ' ' LEU . 17.7 m-85 -117.72 -126.5 0.28 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 176.006 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.649 HE21 ' HA ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -125.67 -84.36 0.63 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.666 0.27 . . . . 0.0 110.336 176.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 12.6 t60 -123.7 88.27 2.88 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 178.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.463 HD22 ' HB2' ' A' ' 29' ' ' PHE . 0.4 OUTLIER -101.49 163.57 12.2 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.521 0.677 . . . . 0.0 111.352 -174.917 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 41.4 p -132.88 -169.4 2.25 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 114.596 -1.184 . . . . 0.0 109.113 178.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 10.4 p30 -58.63 -26.73 64.02 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.214 0.531 . . . . 0.0 109.866 173.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -76.34 -54.67 6.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.436 -178.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.417 ' HB2' ' HB2' ' A' ' 32' ' ' LEU . 11.5 mm-40 -65.7 -32.21 73.64 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.153 -0.93 . . . . 0.0 111.589 -172.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.429 ' O ' ' HB ' ' A' ' 41' ' ' ILE . 14.0 ptm180 -73.16 -24.5 60.58 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-O 121.08 0.467 . . . . 0.0 110.665 179.419 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -74.22 -52.2 13.1 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.428 -178.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -78.54 -30.36 46.91 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.041 -175.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 24.6 mmt -103.52 22.59 14.02 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 121.22 -0.192 . . . . 0.0 111.374 -179.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.429 ' HB ' ' O ' ' A' ' 37' ' ' ARG . 11.3 tp -60.85 119.98 5.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.904 0.859 . . . . 0.0 110.72 -177.303 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 18.2 t -161.69 23.88 0.12 Allowed 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.16 -0.927 . . . . 0.0 108.51 177.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 10.5 t80 58.8 -94.64 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.3 -1.318 . . . . 0.0 111.251 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.41 ' CG ' ' HB2' ' A' ' 48' ' ' ASP . 20.5 mmtm -141.2 127.75 20.11 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 175.667 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -68.82 -14.63 63.15 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.933 0.396 . . . . 0.0 111.365 -179.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -93.02 0.75 57.45 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.726 178.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.56 -11.12 71.07 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.006 -177.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.41 ' HB2' ' CG ' ' A' ' 44' ' ' LYS . 38.8 t70 69.1 153.28 0.1 Allowed 'General case' 0 N--CA 1.463 0.207 0 C-N-CA 123.999 0.92 . . . . 0.0 111.377 -179.584 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.573 HG21 ' O ' ' A' ' 2' ' ' ALA . 2.1 m -113.63 89.49 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.938 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 175.019 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -110.83 97.68 7.02 Favored 'General case' 0 C--N 1.319 -0.717 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.453 ' HB ' ' O ' ' A' ' 4' ' ' HIS . 71.8 t -113.86 120.49 63.83 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.262 0 CA-C-N 114.856 -1.065 . . . . 0.0 111.257 -167.289 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.488 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 57.7 mt -95.96 130.87 42.82 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 176.447 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.507 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 13.8 t -155.29 -176.23 5.84 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 -177.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.403 HG23 ' HB2' ' A' ' 58' ' ' CYS . 0.6 OUTLIER -95.01 127.76 46.72 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-O 121.106 0.479 . . . . 0.0 111.073 -178.342 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.685 ' SG ' ' HB3' ' A' ' 57' ' ' ASP . 18.8 p -74.19 164.5 26.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.904 176.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.424 ' HA ' ' HB3' ' A' ' 59' ' ' GLN . 35.3 tt0 -54.94 -38.78 68.13 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.794 0.33 . . . . 0.0 110.389 178.738 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.685 ' HB3' ' SG ' ' A' ' 55' ' ' CYS . 14.5 t70 -55.89 -49.8 72.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 176.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.403 ' HB2' HG23 ' A' ' 54' ' ' ILE . 57.7 m -66.25 -43.96 85.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.12 0.486 . . . . 0.0 110.626 176.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.424 ' HB3' ' HA ' ' A' ' 56' ' ' GLU . 50.7 tp60 -50.98 -35.71 35.25 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.033 -0.985 . . . . 0.0 111.37 175.637 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -73.94 -39.84 63.49 Favored 'General case' 0 N--CA 1.438 -1.066 0 CA-C-N 116.051 -0.522 . . . . 0.0 112.015 -179.275 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.469 ' O ' ' HD2' ' A' ' 66' ' ' PRO . . . -65.06 -32.86 74.79 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 122.147 0.975 . . . . 0.0 108.454 176.067 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.3 mp -62.39 -59.7 4.61 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-N 113.444 -1.707 . . . . 0.0 111.691 178.383 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -66.01 -15.57 63.14 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 114.382 -1.281 . . . . 0.0 111.294 179.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 53.4 ttp180 -72.49 -73.93 0.18 Allowed 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -176.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.455 ' HB2' ' HD3' ' A' ' 66' ' ' PRO . 94.9 m-20 -123.26 -60.95 0.03 OUTLIER Pre-proline 0 CA--C 1.536 0.418 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 -173.009 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.469 ' HD2' ' O ' ' A' ' 61' ' ' ALA . 44.5 Cg_endo -83.34 -150.82 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 C-N-CA 121.385 1.39 . . . . 0.0 112.281 -172.137 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -152.2 114.88 4.58 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.284 0.564 . . . . 0.0 111.317 -175.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -111.55 -51.08 2.88 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 174.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 63.1 t60 -94.41 104.2 16.18 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 114.651 -1.159 . . . . 0.0 108.919 178.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.507 ' HB3' ' CE1' ' A' ' 72' ' ' HIS . 23.7 mm-40 -72.46 84.17 1.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.113 -176.088 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -82.16 -32.89 29.79 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.603 177.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.507 ' CE1' ' HB3' ' A' ' 70' ' ' GLU . 30.7 m170 51.96 87.17 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.242 0 O-C-N 123.667 0.604 . . . . 0.0 111.744 178.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.6 t . . . . . 0 C--O 1.247 0.969 0 CA-C-O 118.422 -0.799 . . . . 0.0 109.918 178.394 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 . . . . . 0 N--CA 1.478 0.957 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 20.4 m -78.64 -76.32 0.2 Allowed 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 121.045 -0.262 . . . . 0.0 110.611 -179.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.5 mtt -144.53 165.06 29.06 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 177.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -72.56 -51.95 17.65 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.28 0.562 . . . . 0.0 110.735 -179.244 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.423 ' HA ' ' CB ' ' A' ' 49' ' ' VAL . 6.5 mp -129.99 155.4 46.16 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.453 179.655 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.61 ' HB2' ' O ' ' A' ' 49' ' ' VAL . 42.1 m170 -101.52 125.75 48.22 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.039 178.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.706 ' HB2' ' N ' ' A' ' 15' ' ' GLY . 10.0 m-30 -91.9 133.63 35.5 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.178 -177.245 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.586 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 89.2 m-85 -133.38 126.2 30.79 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 173.296 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.678 ' HB3' ' HB2' ' A' ' 10' ' ' CYS . 9.9 t -75.11 139.81 43.0 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 114.063 1.134 . . . . 0.0 114.063 -166.228 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.53 117.97 8.14 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 113.116 -1.856 . . . . 0.0 109.634 169.171 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 24.4 t-80 80.59 6.16 1.54 Allowed 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 115.327 -0.852 . . . . 0.0 111.19 171.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.678 ' HB2' ' HB3' ' A' ' 7' ' ' CYS . 61.0 m -129.08 -38.56 1.61 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.944 0.402 . . . . 0.0 111.378 177.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 80.66 -1.67 82.02 Favored Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.787 -0.72 . . . . 0.0 111.999 -175.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.59 HG12 ' CB ' ' A' ' 10' ' ' CYS . 1.6 p -71.85 131.37 34.72 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.447 0 CA-C-O 121.392 0.615 . . . . 0.0 112.113 -177.567 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.0 mtpm? -72.36 95.37 1.73 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.703 -1.135 . . . . 0.0 109.437 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -80.06 -12.86 13.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 121.132 0.491 . . . . 0.0 110.46 -176.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.706 ' N ' ' HB2' ' A' ' 5' ' ' TYR . . . -133.75 100.53 0.39 Allowed Glycine 0 N--CA 1.442 -0.952 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.375 -179.106 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.424 ' HB3' ' O ' ' A' ' 15' ' ' GLY . 46.9 t 74.81 106.78 0.07 Allowed 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.622 0.725 . . . . 0.0 110.821 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.462 HD23 ' H ' ' A' ' 17' ' ' LEU . 1.4 pt? -114.89 -18.52 11.27 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 175.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.405 ' O ' ' HB2' ' A' ' 19' ' ' SER . 45.3 mt-10 -97.65 162.4 13.3 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 114.615 -1.175 . . . . 0.0 109.212 174.656 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.406 ' HA ' ' CG2' ' A' ' 22' ' ' VAL . 74.4 m 70.6 6.95 6.04 Favored 'General case' 0 N--CA 1.466 0.335 0 O-C-N 123.51 0.506 . . . . 0.0 112.128 178.326 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.7 p -68.12 -41.66 81.39 Favored 'General case' 0 C--N 1.315 -0.935 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.933 -176.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 27.1 ptm -119.98 4.31 10.94 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.352 0.596 . . . . 0.0 109.864 -179.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.406 ' CG2' ' HA ' ' A' ' 19' ' ' SER . 95.1 t -66.97 -22.53 29.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.068 -0.969 . . . . 0.0 109.89 176.714 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.4 p -63.41 99.68 0.21 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.388 175.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.0 t -100.99 9.48 42.2 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.038 -174.104 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -96.44 -58.01 2.17 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 178.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.406 ' HA ' ' HG2' ' A' ' 45' ' ' GLU . 26.6 t 56.18 54.47 7.76 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.559 172.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 86.2 mt -120.28 -26.35 5.48 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.905 -1.043 . . . . 0.0 110.131 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.458 ' HA2' ' N ' ' A' ' 45' ' ' GLU . . . 80.75 9.03 86.85 Favored Glycine 0 N--CA 1.442 -0.946 0 C-N-CA 120.701 -0.761 . . . . 0.0 111.616 -176.578 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.596 ' CD1' ' HG ' ' A' ' 32' ' ' LEU . 16.0 p90 -164.9 156.34 15.07 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-O 121.275 0.56 . . . . 0.0 111.127 -178.299 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.638 ' HG2' ' OE2' ' A' ' 36' ' ' GLU . 5.1 pt20 -137.58 -31.25 0.8 Allowed 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 174.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 17.2 t-160 -136.3 -10.91 1.93 Allowed 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 114.628 -1.169 . . . . 0.0 109.013 172.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.645 ' CA ' ' HG2' ' A' ' 36' ' ' GLU . 1.2 mt 90.17 135.58 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 115.635 1.717 . . . . 0.0 115.635 161.642 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.7 t 44.54 -105.48 0.09 Allowed 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 113.338 -1.755 . . . . 0.0 114.37 166.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -54.32 -32.58 56.94 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 118.809 0.732 . . . . 0.0 111.682 -178.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -77.01 -51.47 11.04 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.035 176.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.645 ' HG2' ' CA ' ' A' ' 32' ' ' LEU . 14.2 mm-40 -50.78 -52.64 38.92 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.109 -0.95 . . . . 0.0 111.871 177.24 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.478 ' HA ' ' O ' ' A' ' 41' ' ' ILE . 41.7 ttm180 -57.72 -42.08 83.1 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.058 -0.973 . . . . 0.0 111.441 -174.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -78.25 -43.54 27.97 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.232 -177.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -78.69 -61.41 2.02 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -169.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 26.2 ttt -124.59 -46.27 1.89 Allowed 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 113.922 1.082 . . . . 0.0 113.922 -170.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.478 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 13.9 mt -133.94 132.78 56.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 C-N-CA 120.472 -0.491 . . . . 0.0 111.109 -170.54 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.1 p -73.59 4.69 4.63 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.433 -177.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -168.29 -147.75 0.07 Allowed 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 -173.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -71.99 -176.36 1.7 Allowed 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 122.31 0.244 . . . . 0.0 111.186 178.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.458 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 16.9 tp10 -46.14 -53.94 9.52 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 -168.515 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -93.67 8.74 39.74 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.932 0.396 . . . . 0.0 111.505 -177.475 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.21 -15.78 15.73 Favored Glycine 0 N--CA 1.449 -0.438 0 CA-C-N 116.106 -0.497 . . . . 0.0 113.542 175.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 31.4 t70 61.98 10.84 3.84 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 121.833 0.825 . . . . 0.0 110.689 -175.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.61 ' O ' ' HB2' ' A' ' 4' ' ' HIS . 5.1 m -77.82 94.26 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.963 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.839 -178.405 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -126.32 93.28 3.76 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.36 -178.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 12.5 m -110.87 134.52 52.89 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.251 -177.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.586 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 85.7 mt -85.57 121.63 28.54 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 175.528 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.505 HG21 ' CD2' ' A' ' 5' ' ' TYR . 14.7 t -142.62 -172.29 3.6 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.455 -175.63 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.536 HD13 HD11 ' A' ' 62' ' ' LEU . 1.1 mp -101.99 127.4 55.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 120.952 0.405 . . . . 0.0 111.751 -175.007 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.517 ' SG ' ' HB3' ' A' ' 57' ' ' ASP . 20.6 p -82.81 176.54 9.23 Favored 'General case' 0 N--CA 1.46 0.048 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.341 176.315 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -59.03 -41.85 88.78 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.111 0.481 . . . . 0.0 110.534 178.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.517 ' HB3' ' SG ' ' A' ' 55' ' ' CYS . 17.4 t70 -59.28 -42.23 90.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.882 178.013 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.506 ' HB2' HG23 ' A' ' 54' ' ' ILE . 64.4 m -74.54 -37.1 63.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.029 179.16 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.76 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 25.3 tm0? -54.83 -30.29 57.02 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.945 177.281 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -70.38 -48.73 54.88 Favored 'General case' 0 N--CA 1.433 -1.316 0 O-C-N 121.897 -0.502 . . . . 0.0 111.916 177.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.81 -33.49 61.63 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 122.356 1.074 . . . . 0.0 108.828 172.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.76 ' HB2' ' O ' ' A' ' 59' ' ' GLN . 0.2 OUTLIER -63.52 -61.83 2.07 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 113.338 -1.755 . . . . 0.0 112.367 178.02 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -74.54 -47.54 32.22 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.061 -0.972 . . . . 0.0 112.562 -173.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 76.4 mtp180 -79.43 -73.3 0.35 Allowed 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -171.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -152.01 124.17 3.92 Favored Pre-proline 0 C--N 1.324 -0.506 0 C-N-CA 121.247 -0.181 . . . . 0.0 110.923 -176.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -42.71 -58.23 1.37 Allowed 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 123.453 2.768 . . . . 0.0 113.202 -175.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 42.8 m-70 -74.59 92.86 2.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.222 0.534 . . . . 0.0 110.265 177.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 35.2 t80 -122.35 165.41 16.32 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.374 -178.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 8.7 p-80 49.71 31.11 4.11 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.166 0.986 . . . . 0.0 112.183 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -139.09 -8.38 1.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.158 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -145.46 139.74 27.07 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 50.0 m80 -76.78 -40.26 48.82 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.19 -176.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.7 p . . . . . 0 C--O 1.252 1.188 0 CA-C-O 118.487 -0.768 . . . . 0.0 110.583 178.023 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 . . . . . 0 N--CA 1.482 1.146 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 49.9 m -78.42 -37.18 44.41 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.82 0.343 . . . . 0.0 110.55 178.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -85.87 155.5 20.93 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.919 0.39 . . . . 0.0 110.261 176.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.43 ' O ' HG21 ' A' ' 49' ' ' VAL . . . -133.29 -13.57 2.68 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.064 179.156 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.51 ' HA ' ' HB ' ' A' ' 49' ' ' VAL . 3.9 mp -118.88 156.7 29.03 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-O 121.158 0.504 . . . . 0.0 110.091 -175.202 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -93.21 126.66 38.44 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.202 178.18 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.686 ' HB2' ' N ' ' A' ' 15' ' ' GLY . 9.3 m-30 -96.42 131.01 43.43 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-N 114.988 -1.006 . . . . 0.0 109.766 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.682 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 96.7 m-85 -129.14 132.23 47.32 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 171.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.474 ' HA ' ' O ' ' A' ' 53' ' ' THR . 13.5 t -84.59 145.96 27.76 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 113.808 1.04 . . . . 0.0 113.808 -167.39 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.503 ' O ' ' HG3' ' A' ' 8' ' ' ARG . 17.5 ptt180 -71.27 123.03 21.32 Favored 'General case' 0 N--CA 1.437 -1.112 0 CA-C-N 113.911 -1.495 . . . . 0.0 108.709 169.159 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 17.7 t60 80.6 -45.5 0.25 Allowed 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.514 -0.766 . . . . 0.0 112.152 170.152 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.565 ' HB2' HG12 ' A' ' 12' ' ' VAL . 33.5 m -69.82 -37.77 76.35 Favored 'General case' 0 N--CA 1.462 0.171 0 N-CA-C 109.001 -0.741 . . . . 0.0 109.001 175.709 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 79.46 14.4 81.44 Favored Glycine 0 C--N 1.335 0.481 0 CA-C-N 115.364 -0.835 . . . . 0.0 112.343 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.565 HG12 ' HB2' ' A' ' 10' ' ' CYS . 0.4 OUTLIER -96.64 138.57 21.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.187 0.517 . . . . 0.0 112.322 -175.516 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.544 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -78.76 95.2 5.27 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.818 176.468 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.565 HG11 ' HA ' ' A' ' 55' ' ' CYS . 0.0 OUTLIER -76.22 -12.84 14.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.787 -177.271 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.686 ' N ' ' HB2' ' A' ' 5' ' ' TYR . . . -103.21 45.32 1.34 Allowed Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.158 -177.054 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.7 m -155.02 81.77 1.07 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.156 0.503 . . . . 0.0 110.121 178.332 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.9 pp -106.69 -15.28 14.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.379 0.609 . . . . 0.0 109.503 -177.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -80.65 130.55 35.17 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.628 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.2 p -133.32 131.16 39.83 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.431 177.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 46.8 t -160.73 -75.77 0.06 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.621 179.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 59.2 mtt -116.42 -74.54 0.6 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 177.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.7 t 49.37 62.6 0.22 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.223 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.789 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.1 p -72.48 -21.77 61.17 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.374 -176.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.2 t -164.75 144.66 7.32 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.664 -178.159 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -93.79 -15.27 25.3 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.983 0.897 . . . . 0.0 108.79 175.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.8 t -99.76 99.82 10.68 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.681 -1.145 . . . . 0.0 110.716 -178.157 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.2 mt -146.83 -80.85 0.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.616 175.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 77.1 105.99 0.15 Allowed Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.677 -0.773 . . . . 0.0 111.624 -174.206 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.413 ' HB3' HD22 ' A' ' 32' ' ' LEU . 50.6 m-85 -102.0 175.85 5.4 Favored 'General case' 0 N--CA 1.44 -0.973 0 CA-C-O 121.808 0.813 . . . . 0.0 110.582 -178.186 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.2 pt20 -159.85 -31.09 0.06 Allowed 'General case' 0 C--N 1.307 -1.279 0 CA-C-N 114.162 -1.381 . . . . 0.0 109.516 177.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 41.1 t-80 -123.25 87.97 2.84 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.404 -0.817 . . . . 0.0 109.04 177.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.498 ' HB2' ' HB2' ' A' ' 36' ' ' GLU . 0.9 OUTLIER -129.84 179.21 5.98 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 122.176 0.989 . . . . 0.0 112.337 -173.844 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.4 m -132.06 162.67 30.21 Favored 'General case' 0 N--CA 1.441 -0.889 0 CA-C-N 113.558 -1.656 . . . . 0.0 106.945 170.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 12.5 p30 -43.55 -38.12 2.8 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 118.433 0.56 . . . . 0.0 112.309 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -67.13 -32.85 74.25 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 -178.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.498 ' HB2' ' HB2' ' A' ' 32' ' ' LEU . 8.0 mm-40 -65.71 -34.55 78.45 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-N 118.205 0.457 . . . . 0.0 110.281 -175.681 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.55 ' O ' ' HA ' ' A' ' 41' ' ' ILE . 21.8 ttt180 -71.82 -38.13 70.23 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-N 115.575 -0.738 . . . . 0.0 111.056 -179.365 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -78.28 -38.07 43.49 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.134 -179.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -78.35 -57.84 3.57 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.654 -174.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.497 ' O ' ' HB ' ' A' ' 41' ' ' ILE . 88.0 mtp -104.87 -6.57 20.07 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -173.725 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.55 ' HA ' ' O ' ' A' ' 37' ' ' ARG . 1.9 mp 74.98 119.17 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 O-C-N 123.72 0.637 . . . . 0.0 111.102 -178.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 67.1 m -95.29 75.57 3.39 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.447 0.641 . . . . 0.0 110.804 178.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.401 ' OH ' ' HA2' ' A' ' 47' ' ' GLY . 51.5 t80 -119.11 141.88 48.4 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.912 176.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -81.32 137.21 35.78 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.58 -176.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -68.83 -11.43 60.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.675 0.75 . . . . 0.0 109.747 173.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -62.78 -20.33 64.88 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.492 -0.777 . . . . 0.0 111.18 178.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.401 ' HA2' ' OH ' ' A' ' 43' ' ' TYR . . . 72.67 28.26 67.63 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.247 -0.977 . . . . 0.0 110.853 -176.662 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -50.95 -49.91 59.0 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.0 -0.6 . . . . 0.0 112.539 -170.031 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.51 ' HB ' ' HA ' ' A' ' 3' ' ' LEU . 14.6 m -107.33 92.57 2.13 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.052 0 CA-C-O 121.876 0.846 . . . . 0.0 111.048 178.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 10.9 t60 -133.42 102.26 5.46 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.096 -0.956 . . . . 0.0 108.968 -178.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 22.3 m -119.91 142.15 36.81 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.778 -176.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.682 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 21.9 mt -101.55 132.27 47.28 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 176.431 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.474 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 15.1 t -152.98 -170.69 3.7 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.427 -174.557 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.454 HG12 ' SG ' ' A' ' 58' ' ' CYS . 0.3 OUTLIER -113.5 138.36 43.41 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 C-N-CA 122.897 0.479 . . . . 0.0 111.022 -174.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.565 ' HA ' HG11 ' A' ' 14' ' ' VAL . 3.2 m -72.6 -170.73 0.71 Allowed 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 123.23 0.612 . . . . 0.0 110.724 -178.449 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -78.72 -29.7 45.49 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 171.23 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.91 -50.48 34.42 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 113.831 -1.531 . . . . 0.0 112.072 -175.022 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.551 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 1.8 p -74.83 -34.8 62.4 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 122.278 -0.264 . . . . 0.0 110.61 -178.436 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.05 -34.72 72.27 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 121.211 0.529 . . . . 0.0 110.067 178.028 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -68.75 -49.22 60.51 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.578 -177.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.33 -29.85 71.09 Favored 'General case' 0 CA--C 1.51 -0.573 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 177.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.551 ' HB2' ' O ' ' A' ' 58' ' ' CYS . 0.3 OUTLIER -69.0 -59.11 3.27 Favored 'General case' 0 N--CA 1.432 -1.327 0 CA-C-N 113.758 -1.565 . . . . 0.0 111.609 -179.182 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -69.53 -32.07 70.67 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.995 -1.002 . . . . 0.0 111.353 -176.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -72.5 -39.99 67.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.333 176.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.515 ' HB2' ' HA ' ' A' ' 70' ' ' GLU . 4.1 p-10 36.63 71.25 0.96 Allowed Pre-proline 0 N--CA 1.473 0.692 0 C-N-CA 124.406 1.083 . . . . 0.0 113.781 -176.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.413 ' HD3' ' N ' ' A' ' 65' ' ' ASN . 4.3 Cg_exo -78.32 -60.6 0.03 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.64 0 C-N-CA 123.249 2.632 . . . . 0.0 110.813 173.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 14.0 p80 -151.17 39.05 0.66 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 174.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -107.76 -64.64 1.19 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.318 -174.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -159.54 77.69 0.7 Allowed 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.111 -179.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.515 ' HA ' ' HB2' ' A' ' 65' ' ' ASN . 5.8 mp0 -71.06 -64.9 0.82 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.953 -176.512 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -178.53 144.57 0.29 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.741 174.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -98.81 71.17 1.9 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.555 177.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 40.3 p . . . . . 0 C--O 1.249 1.069 0 C-N-CA 123.438 0.695 . . . . 0.0 112.465 178.656 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . . 28.6 pt20 . . . . . 0 N--CA 1.478 0.928 0 CA-C-O 120.785 0.326 . . . . 0.0 110.16 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 6.4 p -124.97 76.42 1.53 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.297 0.57 . . . . 0.0 110.662 -176.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.6 mtm -92.89 155.77 17.38 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.059 -178.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -109.01 -56.66 2.25 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.14 0.495 . . . . 0.0 110.913 -177.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.538 ' CB ' ' HB ' ' A' ' 49' ' ' VAL . 1.9 mp -109.22 158.15 18.11 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.187 178.693 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.591 ' HB3' ' CE1' ' A' ' 6' ' ' TYR . 1.5 m80 -123.07 122.0 37.42 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-O 121.583 0.706 . . . . 0.0 110.326 172.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.591 ' HB2' ' N ' ' A' ' 15' ' ' GLY . 7.2 m-85 -98.33 119.59 37.27 Favored 'General case' 0 C--N 1.302 -1.479 0 CA-C-N 114.203 -1.362 . . . . 0.0 109.407 179.042 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.591 ' CE1' ' HB3' ' A' ' 4' ' ' HIS . 93.7 m-85 -126.32 141.72 51.8 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 175.278 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.481 ' HB2' HG13 ' A' ' 12' ' ' VAL . 6.6 t -86.76 128.66 35.03 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 119.438 -0.905 . . . . 0.0 112.889 -172.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.464 ' O ' ' HB3' ' A' ' 9' ' ' HIS . 3.9 ptm180 -57.85 118.32 5.21 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 114.37 -1.287 . . . . 0.0 110.539 170.286 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.464 ' HB3' ' O ' ' A' ' 8' ' ' ARG . 38.2 t-80 88.57 -28.53 0.05 OUTLIER 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.737 169.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.665 ' HB2' HG12 ' A' ' 12' ' ' VAL . 11.2 m -95.53 -32.02 13.05 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.207 0.527 . . . . 0.0 110.728 178.115 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 76.39 6.91 84.71 Favored Glycine 0 N--CA 1.451 -0.362 0 CA-C-N 115.659 -0.7 . . . . 0.0 112.611 -179.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.665 HG12 ' HB2' ' A' ' 10' ' ' CYS . 2.0 p -76.53 137.86 21.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.999 0.428 . . . . 0.0 111.404 -177.306 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -82.79 97.51 8.64 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.111 -177.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -76.05 -27.24 17.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.84 -176.695 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.591 ' N ' ' HB2' ' A' ' 5' ' ' TYR . . . -137.28 75.22 0.39 Allowed Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.718 -178.052 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.513 ' H ' HD23 ' A' ' 17' ' ' LEU . 8.6 t -148.52 30.25 0.83 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.77 0.795 . . . . 0.0 109.04 171.566 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.529 ' HG ' ' HG3' ' A' ' 18' ' ' GLU . 2.6 pt? -174.9 -25.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.54 -1.209 . . . . 0.0 109.737 -174.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.529 ' HG3' ' HG ' ' A' ' 17' ' ' LEU . 37.2 mt-10 -120.9 -90.22 0.59 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 114.959 -1.019 . . . . 0.0 111.116 179.656 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.5 m -80.09 77.43 6.8 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.33 178.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -127.27 -33.03 2.42 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.24 -173.368 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 21.7 ptp -115.07 6.69 15.26 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.159 0.504 . . . . 0.0 111.083 -174.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.7 p -70.88 109.82 3.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.645 178.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 95.2 p 53.86 -170.99 0.05 OUTLIER 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.785 0.834 . . . . 0.0 111.858 -178.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 10.5 t -144.63 120.61 10.68 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.475 0.655 . . . . 0.0 110.562 175.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -99.58 -1.83 37.22 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.001 176.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.52 ' HB2' ' CG2' ' A' ' 49' ' ' VAL . 42.3 t -68.74 -75.04 0.11 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.922 -1.035 . . . . 0.0 110.862 -176.3 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.0 mp 53.23 85.59 0.05 OUTLIER 'General case' 0 C--O 1.233 0.21 0 O-C-N 123.532 0.52 . . . . 0.0 111.382 -177.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -77.78 61.37 3.68 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.895 -0.669 . . . . 0.0 111.464 178.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.534 ' HB3' ' HB2' ' A' ' 32' ' ' LEU . 51.1 m-85 -133.07 125.86 30.55 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 -175.146 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.546 HE21 ' HA ' ' A' ' 30' ' ' GLN . 0.1 OUTLIER -75.02 -60.08 2.45 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 176.742 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.401 ' H ' HD12 ' A' ' 32' ' ' LEU . 48.7 m-70 -135.82 49.02 2.16 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.207 0.527 . . . . 0.0 110.619 173.177 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.534 ' HB2' ' HB3' ' A' ' 29' ' ' PHE . 2.6 mp -119.91 -175.34 2.95 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 178.116 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -146.63 -173.63 4.26 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.602 -177.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 20.6 p30 -59.7 -26.57 65.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.387 177.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -68.44 -33.76 74.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.812 0.339 . . . . 0.0 110.362 177.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.426 ' HG3' ' HB3' ' A' ' 32' ' ' LEU . 45.6 mm-40 -78.79 -27.34 44.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.023 0.439 . . . . 0.0 110.301 177.239 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.561 ' O ' ' HA ' ' A' ' 41' ' ' ILE . 76.2 ttt180 -61.92 -39.68 92.86 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.15 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -79.0 -25.78 43.33 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.947 0.403 . . . . 0.0 110.664 176.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -75.47 -57.7 3.73 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.882 -176.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.416 ' O ' ' HB ' ' A' ' 41' ' ' ILE . 16.2 tpt -115.6 -20.07 10.32 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.182 -176.297 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.561 ' HA ' ' O ' ' A' ' 37' ' ' ARG . 65.2 mt 76.68 -43.63 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 C-N-CA 123.233 0.613 . . . . 0.0 111.34 -178.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 39.2 m 73.66 -18.49 0.38 Allowed 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.676 0.791 . . . . 0.0 112.496 173.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.409 ' H ' ' C ' ' A' ' 41' ' ' ILE . 66.6 t80 71.22 144.62 0.06 Allowed 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 123.481 0.713 . . . . 0.0 111.285 178.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 49.6 mtpt -72.9 89.98 1.43 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.63 174.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -59.51 -42.13 91.49 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.28 -175.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.412 ' C ' ' H ' ' A' ' 48' ' ' ASP . 4.7 m-20 -81.25 -22.69 38.54 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.874 0.369 . . . . 0.0 110.474 179.638 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.38 -34.52 0.96 Allowed Glycine 0 CA--C 1.521 0.446 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.955 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.412 ' H ' ' C ' ' A' ' 46' ' ' ASN . 37.4 m-20 -126.88 164.63 21.0 Favored 'General case' 0 N--CA 1.439 -1.021 0 C-N-CA 122.67 0.388 . . . . 0.0 111.065 -177.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.538 ' HB ' ' CB ' ' A' ' 3' ' ' LEU . 25.6 t -119.08 106.66 19.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 165.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 9.2 t-80 -74.82 91.95 2.47 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.581 -175.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.472 HG23 ' HA ' ' A' ' 5' ' ' TYR . 2.9 m -115.34 125.26 72.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.17 178.265 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 41.8 mt -110.99 131.72 54.81 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.733 179.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.0 t -141.23 172.21 12.99 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 -176.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.568 HG23 ' SG ' ' A' ' 58' ' ' CYS . 0.8 OUTLIER -96.67 124.59 49.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.352 0.596 . . . . 0.0 110.544 178.178 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.467 ' SG ' HG11 ' A' ' 12' ' ' VAL . 18.5 p -87.81 -171.96 3.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.258 -0.883 . . . . 0.0 111.341 -179.409 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -59.03 -53.82 54.08 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.71 -177.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -51.78 -49.73 62.09 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.697 -173.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.568 ' SG ' HG23 ' A' ' 54' ' ' ILE . 2.2 p -73.75 -48.11 34.17 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 119.57 -0.252 . . . . 0.0 111.084 -175.212 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.595 ' HA ' ' HB2' ' A' ' 62' ' ' LEU . 1.2 tm0? -48.78 -31.97 7.87 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 123.19 0.596 . . . . 0.0 111.605 176.72 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -70.76 -52.55 20.02 Favored 'General case' 0 N--CA 1.441 -0.899 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.872 -178.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.57 -31.55 66.26 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 122.243 1.021 . . . . 0.0 109.648 172.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.595 ' HB2' ' HA ' ' A' ' 59' ' ' GLN . 0.7 OUTLIER -64.07 -60.61 3.02 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 113.051 -1.886 . . . . 0.0 110.663 -179.32 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.577 ' OD2' ' HD3' ' A' ' 66' ' ' PRO . 3.8 t70 -58.95 -41.07 86.55 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.405 -1.27 . . . . 0.0 110.436 176.203 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.425 ' O ' ' HG2' ' A' ' 64' ' ' ARG . 50.1 ttp180 70.02 3.58 4.42 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 113.028 0.751 . . . . 0.0 113.028 167.238 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -82.28 -48.87 0.88 Allowed Pre-proline 0 CA--C 1.54 0.568 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -177.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.577 ' HD3' ' OD2' ' A' ' 63' ' ' ASP . 14.7 Cg_exo -67.89 -57.61 0.16 Allowed 'Trans proline' 0 C--N 1.358 1.037 0 C-N-CA 121.688 1.592 . . . . 0.0 111.691 -178.568 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 6.1 p80 -168.62 151.49 5.26 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 177.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 9.8 p90 -152.67 173.16 15.58 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 178.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -76.81 88.04 3.42 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.509 0.671 . . . . 0.0 110.111 176.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -66.93 -16.67 64.49 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.915 -1.038 . . . . 0.0 112.027 -178.141 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -97.13 -23.15 16.36 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 120.85 0.357 . . . . 0.0 110.535 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 64.6 t-80 -141.01 78.43 1.65 Allowed 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 -178.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.4 m . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.608 -0.711 . . . . 0.0 111.042 -174.648 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 . . . . . 0 N--CA 1.481 1.091 0 CA-C-O 120.641 0.258 . . . . 0.0 110.358 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 23.0 t -168.6 169.23 10.4 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 -178.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.0 ptt? -137.19 150.57 47.99 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.157 0.503 . . . . 0.0 110.546 -177.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.483 ' O ' HG21 ' A' ' 49' ' ' VAL . . . -98.66 -62.54 1.23 Allowed 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.45 -179.273 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.47 HD12 ' C ' ' A' ' 2' ' ' ALA . 6.8 mp -125.54 155.26 40.92 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 114.69 -1.141 . . . . 0.0 109.261 178.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 44.8 m80 -88.72 121.47 31.13 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 178.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.498 ' HB2' ' C ' ' A' ' 14' ' ' VAL . 4.1 m-30 -99.04 116.85 32.21 Favored 'General case' 0 C--N 1.309 -1.157 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.932 -177.529 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.503 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 85.2 m-85 -118.11 128.98 55.26 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-O 121.167 0.508 . . . . 0.0 109.961 175.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.639 ' HB3' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -81.5 116.75 21.44 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.457 0.646 . . . . 0.0 112.615 -168.329 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.02 113.03 0.82 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 113.963 -1.471 . . . . 0.0 111.9 -177.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 63.8 t60 63.14 23.93 14.16 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 122.196 0.998 . . . . 0.0 109.699 171.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.639 ' HB3' ' HB3' ' A' ' 7' ' ' CYS . 37.1 t -128.64 -24.38 3.02 Favored 'General case' 0 N--CA 1.438 -1.045 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.372 -169.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 80.1 4.5 89.74 Favored Glycine 0 C--N 1.333 0.38 0 C-N-CA 120.913 -0.661 . . . . 0.0 114.646 168.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.552 HG12 ' SG ' ' A' ' 10' ' ' CYS . 2.0 p -107.51 144.96 15.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 117.277 0.538 . . . . 0.0 110.998 179.705 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.2 mtmm -96.19 110.54 22.81 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.943 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.498 ' C ' ' HB2' ' A' ' 5' ' ' TYR . 0.1 OUTLIER -99.47 12.96 5.49 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.392 -177.633 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.474 ' N ' ' HB2' ' A' ' 5' ' ' TYR . . . -58.59 -46.45 93.23 Favored Glycine 0 N--CA 1.447 -0.625 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.719 178.617 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.6 t 64.51 -174.79 0.17 Allowed 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 121.56 0.695 . . . . 0.0 111.556 173.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -126.74 -3.27 6.59 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.91 -1.041 . . . . 0.0 109.417 178.244 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.454 ' O ' ' HG2' ' A' ' 21' ' ' MET . 6.2 mm-40 -101.57 -3.01 29.2 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 114.724 -1.125 . . . . 0.0 110.337 176.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.6 p -62.8 -27.1 69.07 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -173.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.3 p -58.58 -25.11 62.22 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -179.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.454 ' HG2' ' O ' ' A' ' 18' ' ' GLU . 21.7 ptp -105.17 -15.6 15.02 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-O 121.482 0.658 . . . . 0.0 109.68 -177.238 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 46.4 t -94.44 -28.49 4.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.41 -0.813 . . . . 0.0 110.614 -178.197 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 32.5 t -120.27 105.17 10.68 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 115.089 -0.959 . . . . 0.0 110.378 -178.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.6 p -98.66 43.16 1.07 Allowed 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.602 -0.727 . . . . 0.0 109.682 176.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -97.55 -65.44 0.96 Allowed 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 114.964 -1.016 . . . . 0.0 108.934 -175.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.1 t 71.84 -48.69 0.68 Allowed 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 115.099 -0.955 . . . . 0.0 112.381 171.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.2 mp -72.81 113.25 9.63 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.862 0.363 . . . . 0.0 110.614 176.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -84.78 48.75 4.11 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.876 -0.678 . . . . 0.0 111.82 178.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.507 ' HB3' HD22 ' A' ' 32' ' ' LEU . 68.0 m-85 -130.91 146.12 52.23 Favored 'General case' 0 N--CA 1.441 -0.916 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 -176.735 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -119.88 -38.54 2.95 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.453 -176.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 19.6 t60 -141.99 104.75 4.54 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 178.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.51 ' HG ' ' HB2' ' A' ' 36' ' ' GLU . 2.6 pt? -148.03 154.97 40.96 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.82 -173.695 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.468 ' O ' ' HB3' ' A' ' 36' ' ' GLU . 17.4 m -156.51 -76.94 0.09 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.635 0.255 . . . . 0.0 111.576 -177.507 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.424 ' N ' HG22 ' A' ' 33' ' ' THR . 86.9 m-20 -69.0 -28.0 66.2 Favored 'General case' 0 CA--C 1.51 -0.569 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 178.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -72.37 -42.5 65.2 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.086 -1.415 . . . . 0.0 108.744 175.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.51 ' HB2' ' HG ' ' A' ' 32' ' ' LEU . 41.6 tt0 -52.99 -33.05 49.65 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 113.685 -1.598 . . . . 0.0 111.702 -179.345 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.423 ' O ' ' HG2' ' A' ' 40' ' ' MET . 99.1 mtt180 -62.34 -36.85 83.51 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.756 0.312 . . . . 0.0 111.131 -179.35 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -81.36 -44.32 17.76 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.157 0.503 . . . . 0.0 110.887 174.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -72.77 -11.59 60.67 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 115.762 -0.654 . . . . 0.0 112.607 -173.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.423 ' HG2' ' O ' ' A' ' 37' ' ' ARG . 27.2 ptm -62.94 -16.75 60.39 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -174.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.451 ' O ' HG22 ' A' ' 41' ' ' ILE . 21.1 mt -85.26 41.21 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.386 0.612 . . . . 0.0 110.473 -178.475 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 58.6 m 54.94 26.2 7.67 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.143 179.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -102.43 145.21 29.88 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.123 -179.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.1 pttm -110.62 110.27 20.89 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.066 0.46 . . . . 0.0 110.824 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -54.64 -28.66 48.56 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.528 178.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -69.28 -17.32 63.73 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.299 -177.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.96 -35.12 2.94 Favored Glycine 0 N--CA 1.453 -0.226 0 N-CA-C 111.93 -0.468 . . . . 0.0 111.93 -177.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -141.57 157.21 45.39 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 177.024 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.483 HG21 ' O ' ' A' ' 2' ' ' ALA . 1.3 m -96.91 97.56 6.5 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 CA-C-O 121.08 0.467 . . . . 0.0 110.853 -176.108 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 11.6 t60 -120.93 114.55 21.71 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.19 -177.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.1 m -132.4 144.2 37.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.974 0.416 . . . . 0.0 111.266 -179.188 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.503 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 85.9 mt -105.05 136.98 43.52 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.43 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 14.8 t -148.41 -171.64 3.89 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.723 -0.217 . . . . 0.0 110.761 -176.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.647 HG23 ' SG ' ' A' ' 58' ' ' CYS . 2.0 mt -132.32 113.69 21.9 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 CA-C-O 121.383 0.611 . . . . 0.0 110.964 -178.711 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 22.8 p -73.52 -176.57 2.35 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.499 175.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -59.69 -46.07 90.19 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.633 -176.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -58.78 -49.79 76.37 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 112.392 0.516 . . . . 0.0 112.392 -174.045 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.647 ' SG ' HG23 ' A' ' 54' ' ' ILE . 6.5 p -74.49 -38.59 62.82 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.007 0.432 . . . . 0.0 110.409 -178.39 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -51.95 -34.34 41.62 Favored 'General case' 0 C--O 1.226 -0.17 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.941 170.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -69.84 -44.13 70.52 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 -177.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.36 -31.56 72.41 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-O 122.367 1.079 . . . . 0.0 108.895 177.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.23 -58.58 4.2 Favored 'General case' 0 N--CA 1.438 -1.029 0 CA-C-N 113.34 -1.755 . . . . 0.0 111.88 178.719 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -59.52 -34.06 72.15 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.559 -1.2 . . . . 0.0 111.767 -177.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.553 ' HG3' ' O ' ' A' ' 68' ' ' TYR . 52.4 ttp180 66.69 101.42 0.05 OUTLIER 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.192 0.52 . . . . 0.0 112.171 172.73 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.407 ' HB3' ' CD ' ' A' ' 66' ' ' PRO . 26.0 t-20 -156.23 -60.32 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.541 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.811 176.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.407 ' CD ' ' HB3' ' A' ' 65' ' ' ASN . 61.2 Cg_endo -72.91 -30.05 11.55 Favored 'Trans proline' 0 C--N 1.357 0.998 0 C-N-CA 121.526 1.484 . . . . 0.0 112.473 174.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.406 ' HA ' ' HG2' ' A' ' 70' ' ' GLU . 21.3 p80 -156.39 -169.92 3.18 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.82 -177.346 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.553 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 68.7 t80 69.0 112.58 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.393 0 O-C-N 124.454 1.097 . . . . 0.0 110.256 -174.214 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.464 ' HA ' ' O ' ' A' ' 73' ' ' THR . 39.9 t-80 53.08 56.14 7.92 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 -176.621 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.406 ' HG2' ' HA ' ' A' ' 67' ' ' HIS . 41.7 mt-10 -61.29 -81.1 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.039 -0.982 . . . . 0.0 111.598 -170.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 13.7 p90 -95.35 -35.65 11.69 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.044 0.45 . . . . 0.0 110.086 179.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 26.9 m80 -153.64 -51.35 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.453 -0.794 . . . . 0.0 108.909 177.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.464 ' O ' ' HA ' ' A' ' 69' ' ' HIS . 1.6 p . . . . . 0 C--O 1.248 0.979 0 CA-C-N 115.206 -0.906 . . . . 0.0 111.191 178.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 . . . . . 0 N--CA 1.48 1.028 0 N-CA-C 110.186 -0.301 . . . . 0.0 110.186 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 30.5 t 64.49 -177.66 0.17 Allowed 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.386 -177.238 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.7 mmt -79.95 174.9 11.12 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 178.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.448 ' C ' HD12 ' A' ' 3' ' ' LEU . . . -55.46 -60.06 3.95 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.322 0.582 . . . . 0.0 111.148 -178.748 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.448 HD12 ' C ' ' A' ' 2' ' ' ALA . 6.4 mp -132.82 154.4 50.35 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.484 177.688 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 39.1 m80 -88.35 123.05 32.54 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 177.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.715 ' HB2' ' N ' ' A' ' 15' ' ' GLY . 9.5 m-30 -98.42 125.23 43.5 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.281 -178.409 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.609 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 95.1 m-85 -125.44 134.04 52.24 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 108.885 -0.784 . . . . 0.0 108.885 173.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.689 ' HA ' ' O ' ' A' ' 53' ' ' THR . 39.5 t -83.28 144.35 29.78 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 -165.251 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.513 ' CZ ' HD11 ' A' ' 54' ' ' ILE . 32.2 ttp180 -66.45 120.77 13.94 Favored 'General case' 0 N--CA 1.44 -0.959 0 CA-C-N 113.563 -1.653 . . . . 0.0 109.63 171.442 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.484 ' HB3' ' O ' ' A' ' 8' ' ' ARG . 52.2 t60 91.47 -47.78 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 115.245 -0.889 . . . . 0.0 112.196 166.659 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.809 ' SG ' HG12 ' A' ' 12' ' ' VAL . 4.5 p -96.04 -23.06 16.98 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 119.78 -0.768 . . . . 0.0 110.682 -177.256 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 79.0 18.17 75.42 Favored Glycine 0 C--N 1.333 0.371 0 CA-C-N 115.992 -0.549 . . . . 0.0 114.182 173.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.809 HG12 ' SG ' ' A' ' 10' ' ' CYS . 7.0 p -75.39 144.68 11.76 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-N 117.605 0.702 . . . . 0.0 110.966 179.038 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.508 ' HG2' ' CD1' ' A' ' 6' ' ' TYR . 87.5 mttt -84.82 95.48 9.0 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.243 178.265 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -76.01 -22.94 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.961 -173.489 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.715 ' N ' ' HB2' ' A' ' 5' ' ' TYR . . . -137.89 92.74 0.21 Allowed Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.263 -175.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.8 t 73.25 130.54 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.551 0.691 . . . . 0.0 111.31 178.642 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 pp -108.69 -7.36 15.63 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.186 -177.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -80.84 144.23 32.18 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.036 -0.984 . . . . 0.0 111.714 -176.097 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.5 m 64.22 39.02 7.73 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.854 173.141 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.9 m -72.79 -61.67 1.73 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.277 179.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 18.0 ptp -121.35 9.5 10.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.705 0.764 . . . . 0.0 109.779 -178.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 58.6 t -58.74 -45.5 91.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 114.563 -1.199 . . . . 0.0 111.19 -179.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.455 ' HB3' ' O ' ' A' ' 27' ' ' LEU . 56.6 m -103.61 49.6 0.82 Allowed 'General case' 0 C--N 1.309 -1.171 0 CA-C-N 115.293 -0.867 . . . . 0.0 111.232 -176.455 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.3 t -83.29 -23.04 32.79 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.743 -179.114 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -96.95 -33.6 11.52 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.816 0.817 . . . . 0.0 109.281 -179.233 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.9 t -94.11 -160.22 0.75 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.543 -1.208 . . . . 0.0 110.132 -179.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.455 ' O ' ' HB3' ' A' ' 23' ' ' SER . 6.0 mp -92.96 177.93 5.92 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.001 178.263 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -76.16 72.99 1.81 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.946 -0.645 . . . . 0.0 113.176 -175.578 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.431 ' CD2' HD23 ' A' ' 32' ' ' LEU . 79.8 m-85 -137.26 -159.92 1.0 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 175.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -123.01 -67.83 0.92 Allowed 'General case' 0 CA--C 1.509 -0.625 0 CA-C-O 121.802 0.811 . . . . 0.0 109.14 179.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 50.0 t60 -146.34 76.66 1.45 Allowed 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 113.92 -1.491 . . . . 0.0 108.519 178.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.431 HD23 ' CD2' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -80.29 163.88 23.62 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.594 0.711 . . . . 0.0 111.889 -176.166 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.0 m -113.53 168.69 9.55 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 114.663 -1.153 . . . . 0.0 108.454 178.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 29.2 p-10 -46.6 -43.33 17.23 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 111.983 0.364 . . . . 0.0 111.983 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -63.02 -34.78 78.3 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -178.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -78.81 -29.44 44.83 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-O 120.887 0.375 . . . . 0.0 110.203 -178.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 36.4 mtm180 -67.46 -44.11 79.4 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 174.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -65.84 -30.77 71.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.643 176.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -70.39 -46.29 64.29 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.206 -177.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.413 ' HG2' ' CZ ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -82.2 -14.29 55.81 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.042 -179.057 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 42.6 mt 70.65 -76.99 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.565 177.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 48.8 m -157.26 18.24 0.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.34 0.59 . . . . 0.0 109.682 -179.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -121.26 136.75 54.92 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.931 -176.143 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.401 ' HG2' ' HB3' ' A' ' 27' ' ' LEU . 92.3 mttt -71.19 87.11 0.79 Allowed 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 175.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -59.46 -30.96 68.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.911 -175.571 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -64.17 -22.16 66.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.299 0.571 . . . . 0.0 110.419 177.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.37 -4.61 48.46 Favored Glycine 0 N--CA 1.45 -0.394 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.3 -178.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 28.3 t70 56.62 82.16 0.12 Allowed 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 122.047 0.927 . . . . 0.0 110.0 -173.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.441 ' HB ' ' HA ' ' A' ' 3' ' ' LEU . 5.1 m -75.7 93.74 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.313 -1.013 0 CA-C-N 114.495 -1.229 . . . . 0.0 111.25 -178.055 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -127.71 97.83 4.98 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.287 -0.87 . . . . 0.0 109.12 -177.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 17.6 m -118.05 144.33 26.39 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-O 120.946 0.403 . . . . 0.0 111.28 -175.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.609 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 38.3 mt -104.83 132.84 50.58 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.101 179.243 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.689 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 14.1 t -152.79 172.44 16.72 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 -178.164 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.513 HD11 ' CZ ' ' A' ' 8' ' ' ARG . 1.8 mt -90.81 128.77 42.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 120.781 0.324 . . . . 0.0 110.984 -178.313 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 13.8 p -82.68 171.89 13.52 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.303 178.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -56.79 -47.83 79.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 123.278 0.361 . . . . 0.0 110.904 -176.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -57.71 -46.05 84.91 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.661 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 98.2 m -70.16 -40.88 74.48 Favored 'General case' 0 C--O 1.216 -0.659 0 C-N-CA 121.02 -0.272 . . . . 0.0 110.925 -179.459 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.815 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 0.2 OUTLIER -55.94 -37.0 68.39 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 121.222 0.534 . . . . 0.0 110.431 174.197 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -75.55 -38.93 58.92 Favored 'General case' 0 N--CA 1.426 -1.648 0 O-C-N 120.785 -1.197 . . . . 0.0 110.694 178.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.579 ' HB1' ' HB2' ' A' ' 68' ' ' TYR . . . -55.88 -31.48 62.85 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 122.527 1.156 . . . . 0.0 109.207 169.67 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.815 ' HB2' ' O ' ' A' ' 59' ' ' GLN . 0.3 OUTLIER -68.62 -59.12 3.36 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 113.582 -1.644 . . . . 0.0 110.955 177.541 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -71.24 -52.24 20.11 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.376 -1.284 . . . . 0.0 113.126 -170.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 75.5 mtt85 -143.84 -24.86 0.56 Allowed 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 -174.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.482 ' O ' ' HA ' ' A' ' 61' ' ' ALA . 80.4 m-20 -82.22 131.54 55.88 Favored Pre-proline 0 C--N 1.319 -0.743 0 CA-C-O 121.178 0.513 . . . . 0.0 111.654 -175.691 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -79.76 -173.09 1.72 Allowed 'Trans proline' 0 N--CA 1.462 -0.36 0 C-N-CA 122.73 2.287 . . . . 0.0 112.89 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 60.1 m-70 64.85 39.5 6.0 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.777 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.579 ' HB2' ' HB1' ' A' ' 61' ' ' ALA . 68.2 t80 -93.45 -41.26 9.9 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.516 0.674 . . . . 0.0 109.404 174.194 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 8.4 p80 -135.51 134.36 39.41 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 114.935 -1.029 . . . . 0.0 108.727 176.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -80.24 77.23 6.99 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.208 0.528 . . . . 0.0 111.313 -173.414 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -98.15 139.07 34.5 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.031 178.046 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 24.4 t-80 -88.0 84.45 6.96 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.088 0.47 . . . . 0.0 110.286 -178.286 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.3 t . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.591 -0.719 . . . . 0.0 109.597 176.852 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 . . . . . 0 N--CA 1.481 1.124 0 N-CA-C 110.859 -0.052 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 12.5 t 63.77 175.89 0.17 Allowed 'General case' 0 C--N 1.341 0.217 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 -174.001 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.3 mtt -97.11 143.78 27.6 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 174.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -118.16 -6.91 10.86 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-O 121.316 0.579 . . . . 0.0 110.259 179.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.588 HD12 ' N ' ' A' ' 3' ' ' LEU . 0.5 OUTLIER -121.63 156.35 33.16 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 179.843 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 36.5 m170 -101.82 123.25 45.46 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 177.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -90.87 122.32 33.48 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.719 -175.238 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.679 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 68.3 m-85 -131.6 138.25 48.74 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 173.746 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.599 ' HB3' ' HB2' ' A' ' 10' ' ' CYS . 34.5 t -77.85 142.93 38.21 Favored 'General case' 0 CA--C 1.503 -0.842 0 CA-C-O 121.554 0.693 . . . . 0.0 112.553 -172.214 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.415 ' O ' ' HB3' ' A' ' 9' ' ' HIS . 35.8 ptt180 -72.25 124.42 25.03 Favored 'General case' 0 N--CA 1.436 -1.129 0 CA-C-N 114.259 -1.337 . . . . 0.0 108.903 169.387 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.415 ' HB3' ' O ' ' A' ' 8' ' ' ARG . 48.8 t-80 88.08 -43.28 0.03 OUTLIER 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 114.089 -1.414 . . . . 0.0 110.885 175.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.599 ' HB2' ' HB3' ' A' ' 7' ' ' CYS . 68.0 m -79.08 -43.08 24.88 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.251 0.548 . . . . 0.0 111.089 177.492 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 79.99 9.67 86.44 Favored Glycine 0 N--CA 1.446 -0.654 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.89 -172.317 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.59 HG12 ' HB2' ' A' ' 10' ' ' CYS . 2.9 p -76.56 137.85 21.8 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.492 0 CA-C-O 121.497 0.665 . . . . 0.0 112.382 -176.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.477 ' HE3' ' CB ' ' A' ' 16' ' ' SER . 18.7 mtpp -73.31 96.89 2.37 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.593 -1.185 . . . . 0.0 109.585 -179.563 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -82.79 -9.47 11.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.026 0.441 . . . . 0.0 110.366 -176.515 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -166.5 79.78 0.11 Allowed Glycine 0 N--CA 1.442 -0.929 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -177.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.477 ' CB ' ' HE3' ' A' ' 13' ' ' LYS . 21.1 m -141.35 90.47 2.31 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-O 121.016 0.436 . . . . 0.0 110.309 -178.302 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -110.68 -17.71 13.32 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 177.12 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -126.56 60.69 1.33 Allowed 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 114.575 -1.193 . . . . 0.0 109.637 176.125 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.4 m -140.29 -22.37 0.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -177.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 41.3 t -60.72 -72.23 0.12 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.681 -0.236 . . . . 0.0 111.477 -176.381 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 22.9 mmt -112.03 26.84 10.2 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.168 0.508 . . . . 0.0 111.435 -178.093 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.42 HG13 HG22 ' A' ' 24' ' ' THR . 10.4 p -61.74 136.07 25.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 115.232 -0.895 . . . . 0.0 110.88 -178.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.6 m -72.59 99.71 2.6 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.207 -178.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.42 HG22 HG13 ' A' ' 22' ' ' VAL . 7.6 t -158.24 99.45 1.63 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.519 176.586 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -96.67 -29.97 13.51 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.531 -0.758 . . . . 0.0 110.596 -172.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.416 ' HB3' ' HB2' ' A' ' 39' ' ' ASP . 22.8 t -92.84 -60.77 1.73 Allowed 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.056 -0.974 . . . . 0.0 110.066 -175.585 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.441 HD13 ' CZ ' ' A' ' 29' ' ' PHE . 2.4 tt 62.91 101.9 0.03 OUTLIER 'General case' 0 C--O 1.233 0.235 0 O-C-N 123.976 0.797 . . . . 0.0 111.485 178.088 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.436 ' HA2' ' HG3' ' A' ' 36' ' ' GLU . . . -68.64 82.39 0.21 Allowed Glycine 0 N--CA 1.446 -0.679 0 CA-C-N 115.486 -0.779 . . . . 0.0 112.25 175.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.483 ' HB2' ' OE1' ' A' ' 36' ' ' GLU . 66.0 m-85 -67.14 -89.39 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.772 0.32 . . . . 0.0 111.387 177.251 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -159.82 -45.98 0.05 Allowed 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 120.759 0.314 . . . . 0.0 111.42 -176.187 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 32.4 t-80 -155.88 58.01 0.6 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.121 0.486 . . . . 0.0 110.376 -177.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.56 ' H ' ' CD ' ' A' ' 36' ' ' GLU . 38.2 tp -88.81 -74.43 0.47 Allowed 'General case' 0 N--CA 1.439 -1.007 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.458 -178.335 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.5 p -156.74 -173.29 4.41 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.419 -174.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.5 ' N ' HD22 ' A' ' 34' ' ' ASN . 0.9 OUTLIER -67.48 -28.32 67.75 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 174.459 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -56.97 -55.48 34.12 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.835 175.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.56 ' CD ' ' H ' ' A' ' 32' ' ' LEU . 19.1 tt0 -51.76 -44.15 63.23 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.288 -1.324 . . . . 0.0 112.034 -179.423 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -56.65 -36.55 69.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.628 -176.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 44.3 t-20 -65.05 -42.51 94.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.946 0.403 . . . . 0.0 110.274 -178.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.416 ' HB2' ' HB3' ' A' ' 26' ' ' SER . 23.1 t70 -76.37 -37.14 57.65 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.021 -178.588 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 49.5 ttm -64.48 -42.36 95.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.09 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.412 HD13 ' HA ' ' A' ' 41' ' ' ILE . 14.6 mm -74.31 152.3 6.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.198 179.529 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 85.1 p 56.99 21.54 6.35 Favored 'General case' 0 C--O 1.233 0.209 0 O-C-N 124.203 0.939 . . . . 0.0 109.369 -167.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 45.2 t80 75.87 146.97 0.09 Allowed 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 114.569 -1.196 . . . . 0.0 111.753 171.453 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.14 86.28 3.0 Favored 'General case' 0 C--O 1.232 0.172 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 177.202 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -67.49 -11.56 58.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.872 -0.604 . . . . 0.0 112.229 -174.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.421 ' HB2' ' OD1' ' A' ' 48' ' ' ASP . 0.7 OUTLIER -78.87 -10.69 59.88 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.308 -179.042 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.59 26.63 16.97 Favored Glycine 0 C--N 1.332 0.334 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.115 179.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.421 ' OD1' ' HB2' ' A' ' 46' ' ' ASN . 5.0 m-20 -81.61 69.46 8.27 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -172.279 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.452 ' HB ' ' HA ' ' A' ' 3' ' ' LEU . 2.9 t -115.84 94.28 3.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.162 0.506 . . . . 0.0 109.712 172.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -83.33 92.25 7.48 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.805 -177.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.0 m -102.99 134.92 42.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.099 -178.246 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.679 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 83.8 mt -98.26 108.83 21.63 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.577 177.464 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 15.2 t -125.07 -176.34 3.54 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.718 -173.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.412 HD13 ' HG ' ' A' ' 62' ' ' LEU . 40.1 mt -87.87 126.37 41.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.555 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 17.2 p -83.06 167.7 17.61 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 176.287 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -54.08 -42.95 69.9 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.993 0.425 . . . . 0.0 110.612 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -66.27 -35.39 80.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.141 -178.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.445 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 11.5 m -70.02 -54.16 14.41 Favored 'General case' 0 C--O 1.214 -0.779 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.759 177.132 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.697 ' HA ' ' HB2' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -49.06 -33.12 10.85 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.301 0.64 . . . . 0.0 110.726 174.144 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -60.88 -55.62 30.87 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-O 120.868 0.366 . . . . 0.0 110.968 176.039 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.28 -32.32 73.87 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.82 0.819 . . . . 0.0 109.965 174.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.697 ' HB2' ' HA ' ' A' ' 59' ' ' GLN . 0.4 OUTLIER -61.22 -62.53 1.77 Allowed 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 113.896 -1.502 . . . . 0.0 112.277 -173.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -74.9 -38.37 61.86 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.994 -177.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 27.4 tpt180 -73.93 -36.59 64.7 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.712 -176.007 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.441 ' N ' ' HD3' ' A' ' 66' ' ' PRO . 51.1 m-80 53.31 64.24 7.21 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.595 -177.073 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.441 ' HD3' ' N ' ' A' ' 65' ' ' ASN . 2.1 Cg_endo -82.39 -74.11 0.01 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.809 0 C-N-CA 122.597 2.198 . . . . 0.0 110.961 177.242 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.419 ' O ' ' N ' ' A' ' 69' ' ' HIS . 45.5 m-70 -126.6 -32.52 2.62 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.652 174.603 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 22.8 p90 55.51 -60.92 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 125.765 1.626 . . . . 0.0 114.799 172.402 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.419 ' N ' ' O ' ' A' ' 67' ' ' HIS . 17.7 t-80 -56.93 -41.11 77.62 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 122.998 0.519 . . . . 0.0 110.804 -179.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -143.62 148.17 35.44 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.584 -0.734 . . . . 0.0 109.519 -178.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -80.29 107.0 12.73 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.754 0.312 . . . . 0.0 110.63 -178.218 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 15.7 t60 64.19 101.33 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.374 -0.83 . . . . 0.0 112.017 175.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.5 m . . . . . 0 C--O 1.251 1.139 0 CA-C-O 118.299 -0.858 . . . . 0.0 109.612 174.639 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 . . . . . 0 N--CA 1.482 1.157 0 CA-C-O 120.917 0.389 . . . . 0.0 110.07 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 4.3 p -88.84 155.32 19.61 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 175.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -68.3 129.38 39.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.047 0.451 . . . . 0.0 109.975 -178.549 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -120.87 -26.99 5.1 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-N 115.154 -0.93 . . . . 0.0 111.005 -176.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.472 HD12 ' N ' ' A' ' 3' ' ' LEU . 5.5 mp -93.13 144.96 24.77 Favored 'General case' 0 CA--C 1.507 -0.693 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.683 -177.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.466 ' HB3' ' CE2' ' A' ' 6' ' ' TYR . 13.8 m-70 -80.24 123.32 27.84 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.476 -178.283 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.514 ' CD1' HG21 ' A' ' 53' ' ' THR . 2.9 m-30 -96.68 120.16 36.49 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-N 115.038 -0.983 . . . . 0.0 111.011 -175.026 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.551 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 90.3 m-85 -130.74 135.01 47.38 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 173.47 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.658 ' HB3' ' HB2' ' A' ' 10' ' ' CYS . 34.0 t -76.88 140.42 40.57 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 114.082 1.141 . . . . 0.0 114.082 -167.272 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.441 ' HD2' ' HB2' ' A' ' 9' ' ' HIS . 5.6 tmm_? -59.09 115.8 3.41 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 113.309 -1.769 . . . . 0.0 109.348 166.57 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.441 ' HB2' ' HD2' ' A' ' 8' ' ' ARG . 21.9 t-80 85.93 -47.02 0.06 Allowed 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.921 0.888 . . . . 0.0 111.756 173.592 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.658 ' HB2' ' HB3' ' A' ' 7' ' ' CYS . 77.4 m -70.92 -42.56 69.74 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.422 0.63 . . . . 0.0 110.596 177.695 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 78.25 9.65 86.82 Favored Glycine 0 N--CA 1.443 -0.834 0 CA-C-N 115.196 -0.911 . . . . 0.0 111.614 -172.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.619 HG12 ' HB2' ' A' ' 10' ' ' CYS . 2.5 p -75.28 137.75 22.3 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 CA-C-O 121.19 0.519 . . . . 0.0 112.178 -175.581 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.559 ' H ' ' HD2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -70.55 97.09 1.26 Allowed 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 114.79 -1.095 . . . . 0.0 109.933 178.725 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -91.79 2.19 8.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 120.995 0.426 . . . . 0.0 110.734 -179.334 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -91.52 31.99 5.51 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.912 -0.661 . . . . 0.0 111.536 177.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.7 t 69.19 117.48 0.04 OUTLIER 'General case' 0 C--O 1.233 0.21 0 CA-C-O 121.731 0.777 . . . . 0.0 111.479 -177.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -102.01 -7.19 22.57 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.631 176.02 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -61.63 142.85 56.89 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.656 -1.157 . . . . 0.0 111.552 -177.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.4 m -65.97 151.17 47.39 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.006 178.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.1 t 75.29 -10.85 1.17 Allowed 'General case' 0 N--CA 1.464 0.247 0 O-C-N 123.783 0.677 . . . . 0.0 110.564 -178.005 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 65.2 mtt -105.57 -37.97 6.6 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 175.29 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 69.2 t -71.28 111.86 5.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.135 -0.939 . . . . 0.0 109.15 167.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 25.4 m -92.07 1.11 57.41 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.914 0.387 . . . . 0.0 111.374 -174.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.7 m 58.65 43.71 18.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 122.163 0.982 . . . . 0.0 109.442 -176.204 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -93.58 -7.62 43.55 Favored 'General case' 0 CA--C 1.511 -0.557 0 CA-C-N 114.755 -1.111 . . . . 0.0 109.195 -176.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.497 ' HA ' ' HB3' ' A' ' 46' ' ' ASN . 43.2 t -70.87 58.31 0.21 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 114.377 -1.283 . . . . 0.0 112.33 -175.021 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 27' ' ' LEU . 28.9 mt -115.49 152.56 32.75 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.265 0.555 . . . . 0.0 110.126 171.293 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 176.92 92.38 0.08 OUTLIER Glycine 0 N--CA 1.436 -1.341 0 N-CA-C 109.94 -1.264 . . . . 0.0 109.94 -178.234 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.506 ' HB3' HD22 ' A' ' 32' ' ' LEU . 4.1 m-85 -70.76 174.64 5.77 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-O 122.13 0.967 . . . . 0.0 110.71 -173.509 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -144.34 -54.31 0.34 Allowed 'General case' 0 C--N 1.304 -1.396 0 CA-C-N 113.824 -1.535 . . . . 0.0 109.336 -169.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 75.0 m-70 -112.38 98.56 7.36 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 113.881 -1.509 . . . . 0.0 110.228 -178.031 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.607 ' HB2' ' HB2' ' A' ' 36' ' ' GLU . 0.7 OUTLIER -150.51 151.42 32.65 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.522 -176.852 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.4 p -87.77 -178.5 6.07 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.136 178.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 54.2 m-80 -57.19 -34.94 69.0 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.017 0.437 . . . . 0.0 109.914 177.339 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -77.37 -40.75 42.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.979 -0.555 . . . . 0.0 112.172 -176.403 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.607 ' HB2' ' HB2' ' A' ' 32' ' ' LEU . 46.9 mt-10 -70.75 -27.17 63.74 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 179.191 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.538 ' HA ' HD12 ' A' ' 32' ' ' LEU . 42.4 ttm180 -72.07 -31.75 66.4 Favored 'General case' 0 N--CA 1.438 -1.046 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.591 176.178 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -66.86 -44.08 81.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.754 0.311 . . . . 0.0 110.305 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -62.97 -36.38 83.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.158 0.504 . . . . 0.0 110.729 177.135 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 14.9 tpt -94.14 7.28 45.81 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.731 -175.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.507 ' O ' ' HB2' ' A' ' 42' ' ' SER . 51.1 mm 69.16 -70.16 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.558 -175.731 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.507 ' HB2' ' O ' ' A' ' 41' ' ' ILE . 32.4 t 162.06 -31.14 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 123.953 0.901 . . . . 0.0 108.914 179.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.534 ' OH ' ' HA2' ' A' ' 47' ' ' GLY . 62.5 t80 -83.12 144.43 29.87 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.938 -1.028 . . . . 0.0 111.091 -174.254 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -79.0 111.44 15.21 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.276 175.246 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -51.82 -29.74 20.52 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 -172.017 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.497 ' HB3' ' HA ' ' A' ' 26' ' ' SER . 8.1 p30 -77.68 -5.64 51.18 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.916 -0.313 . . . . 0.0 111.393 -176.646 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.534 ' HA2' ' OH ' ' A' ' 43' ' ' TYR . . . 87.05 -1.73 86.75 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.238 179.553 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 29.2 t70 54.42 45.92 26.08 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.775 0.798 . . . . 0.0 110.147 -176.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.45 ' CG2' ' HA ' ' A' ' 3' ' ' LEU . 2.6 m -115.8 93.49 2.58 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.816 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.31 179.671 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 13.6 t60 -120.88 95.66 4.8 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.372 -177.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 12.9 m -109.31 137.74 39.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-O 121.169 0.509 . . . . 0.0 111.765 -175.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.551 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 3.1 mm? -96.24 109.03 21.58 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.24 176.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.56 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 13.8 t -123.11 170.46 10.18 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.84 -174.005 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.42 HG23 ' HB2' ' A' ' 58' ' ' CYS . 1.5 mt -87.17 123.39 39.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.035 176.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.463 ' SG ' ' HB3' ' A' ' 57' ' ' ASP . 19.7 p -72.27 165.3 24.72 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.323 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -55.34 -39.77 70.4 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.254 0.55 . . . . 0.0 109.773 179.167 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.463 ' HB3' ' SG ' ' A' ' 55' ' ' CYS . 31.2 t70 -63.36 -38.66 92.03 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.056 179.599 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.718 ' O ' HD23 ' A' ' 62' ' ' LEU . 8.1 m -68.68 -55.75 10.39 Favored 'General case' 0 C--O 1.222 -0.342 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.89 177.422 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.564 ' HA ' ' HB2' ' A' ' 62' ' ' LEU . 4.0 tt0 -49.05 -31.93 8.63 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.245 0.545 . . . . 0.0 111.547 -178.207 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -65.6 -56.04 14.35 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.419 0.628 . . . . 0.0 110.959 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.3 -31.3 67.36 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.435 174.203 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.718 HD23 ' O ' ' A' ' 58' ' ' CYS . 0.8 OUTLIER -62.48 -61.9 2.12 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 113.985 -1.462 . . . . 0.0 112.021 -176.324 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -59.05 -31.91 69.28 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.752 -179.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 54.4 ttp180 -67.23 -67.83 0.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.44 177.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -136.06 125.32 15.87 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.354 -175.393 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_exo -56.23 -40.49 84.41 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.919 2.412 . . . . 0.0 111.915 178.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 36.3 m170 -109.24 63.46 0.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.345 176.21 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 54.7 p90 -69.21 -15.35 63.37 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.248 -177.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 49.1 t60 -127.12 52.39 1.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.174 0.512 . . . . 0.0 109.811 -176.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -83.77 37.37 0.59 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.426 -177.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -66.9 -47.32 72.17 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.266 0.555 . . . . 0.0 109.546 176.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 52.0 t60 -141.1 90.61 2.33 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.292 176.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.2 t . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.065 -0.969 . . . . 0.0 110.12 -178.988 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . . 27.9 pt20 . . . . . 0 N--CA 1.481 1.102 0 CA-C-O 120.456 0.17 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 38.1 m -141.16 147.65 38.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.753 0.311 . . . . 0.0 110.719 -177.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.2 ptt? -105.78 141.35 37.36 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.405 0.622 . . . . 0.0 110.407 176.013 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -97.1 -32.21 12.08 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.29 -178.082 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.43 ' HA ' ' CG2' ' A' ' 49' ' ' VAL . 5.6 mp -135.11 155.03 51.41 Favored 'General case' 0 CA--C 1.503 -0.828 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 175.318 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 67.3 m80 -89.27 124.12 34.11 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.642 -178.159 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.725 ' HB2' ' N ' ' A' ' 15' ' ' GLY . 14.3 m-30 -91.66 137.54 32.28 Favored 'General case' 0 C--N 1.309 -1.192 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.433 177.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.572 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 68.0 m-85 -140.4 122.99 16.21 Favored 'General case' 0 C--N 1.311 -1.108 0 N-CA-C 106.546 -1.65 . . . . 0.0 106.546 175.546 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.6 ' HB3' ' HB2' ' A' ' 10' ' ' CYS . 49.4 t -71.64 130.13 40.41 Favored 'General case' 0 CA--C 1.502 -0.888 0 C-N-CA 119.238 -0.985 . . . . 0.0 112.129 -172.534 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.455 ' NH2' HD11 ' A' ' 62' ' ' LEU . 32.4 ptt180 -55.17 125.94 22.71 Favored 'General case' 0 N--CA 1.438 -1.036 0 CA-C-N 113.744 -1.571 . . . . 0.0 109.691 174.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.436 ' HB3' ' O ' ' A' ' 8' ' ' ARG . 50.5 t-80 79.82 -21.74 0.31 Allowed 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 114.385 -1.279 . . . . 0.0 111.594 175.177 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.6 ' HB2' ' HB3' ' A' ' 7' ' ' CYS . 99.4 m -94.44 -40.34 9.96 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.063 0.459 . . . . 0.0 111.602 178.466 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 81.6 0.07 88.73 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.114 -176.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.45 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 2.2 p -70.34 140.6 18.24 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.542 0 CA-C-O 120.861 0.362 . . . . 0.0 111.462 -177.508 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -81.8 93.84 6.92 Favored 'General case' 0 CA--C 1.501 -0.918 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 -179.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.528 HG13 ' HB3' ' A' ' 5' ' ' TYR . 9.7 p -104.74 11.26 8.63 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.446 0 CA-C-N 114.663 -1.153 . . . . 0.0 110.363 -169.541 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.725 ' N ' ' HB2' ' A' ' 5' ' ' TYR . . . -93.89 -20.97 29.52 Favored Glycine 0 CA--C 1.506 -0.527 0 CA-C-N 114.705 -1.134 . . . . 0.0 110.57 171.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.9 p -95.39 70.58 3.15 Favored 'General case' 0 N--CA 1.445 -0.725 0 CA-C-O 121.59 0.709 . . . . 0.0 110.268 177.023 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.609 HD23 ' H ' ' A' ' 17' ' ' LEU . 2.6 pt? -111.92 -24.69 9.82 Favored 'General case' 0 CA--C 1.508 -0.649 0 CA-C-N 115.333 -0.848 . . . . 0.0 109.088 -179.151 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -91.97 -29.16 16.78 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 114.775 -1.102 . . . . 0.0 108.039 171.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.7 m -85.46 68.53 10.48 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 114.327 -1.306 . . . . 0.0 108.963 170.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.0 m -78.65 -53.24 7.38 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.598 -173.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 26.5 ptt? -117.14 7.74 13.1 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.659 0.742 . . . . 0.0 109.012 177.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 90.2 t -69.15 116.32 9.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 114.592 -1.185 . . . . 0.0 110.2 178.052 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.6 p -67.03 147.87 52.65 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.117 177.096 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.3 p -75.85 80.29 2.76 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.166 0.507 . . . . 0.0 111.203 -178.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -92.29 -32.93 14.83 Favored 'General case' 0 CA--C 1.508 -0.654 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 177.052 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.8 t -77.66 73.87 4.23 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 114.49 -1.232 . . . . 0.0 109.876 178.041 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 98.3 mt -129.7 167.43 18.03 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.225 176.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -80.57 51.71 4.27 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.748 -176.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.591 ' CD2' HD23 ' A' ' 32' ' ' LEU . 45.9 m-85 -128.53 -165.0 1.44 Allowed 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.415 ' HG3' ' N ' ' A' ' 31' ' ' HIS . 3.9 pt20 -105.98 -50.06 3.26 Favored 'General case' 0 C--N 1.316 -0.858 0 C-N-CA 120.187 -0.605 . . . . 0.0 110.309 -176.431 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.415 ' N ' ' HG3' ' A' ' 30' ' ' GLN . 44.8 t-80 -177.31 63.3 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 106.591 -1.633 . . . . 0.0 106.591 -177.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.591 HD23 ' CD2' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -59.71 153.08 21.13 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 114.962 -1.017 . . . . 0.0 113.259 -168.284 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.497 ' O ' ' HG3' ' A' ' 37' ' ' ARG . 9.0 t -136.32 -174.81 3.79 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 114.21 -1.359 . . . . 0.0 108.283 -178.796 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -49.9 -34.98 22.02 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 118.059 0.391 . . . . 0.0 111.612 -176.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -72.77 -55.54 6.58 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.153 0.502 . . . . 0.0 111.264 176.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.416 ' O ' ' HB2' ' A' ' 40' ' ' MET . 21.6 tt0 -65.5 -29.58 70.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.905 -175.143 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.497 ' HG3' ' O ' ' A' ' 33' ' ' THR . 17.8 mtm180 -72.02 -33.13 67.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.01 0.434 . . . . 0.0 110.43 177.148 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -78.35 -47.8 16.94 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.468 -179.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -73.68 -56.77 4.57 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.648 -178.217 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.497 ' HB3' ' CE1' ' A' ' 29' ' ' PHE . 26.1 mmt -82.12 -11.89 58.5 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.199 -175.201 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 63.9 mt 73.74 134.64 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 O-C-N 123.987 0.805 . . . . 0.0 111.257 179.281 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.414 ' OG ' ' HB3' ' A' ' 37' ' ' ARG . 19.8 m -79.2 48.32 0.86 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.045 0.45 . . . . 0.0 110.935 178.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -158.47 155.9 29.34 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.539 -175.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.411 ' HB3' ' HB2' ' A' ' 48' ' ' ASP . 31.1 mmtp -69.76 104.81 2.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.837 0.351 . . . . 0.0 110.326 178.555 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -70.1 -28.1 65.13 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.264 -173.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -87.34 4.53 42.57 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.203 0.525 . . . . 0.0 110.438 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.25 -35.31 2.98 Favored Glycine 0 N--CA 1.447 -0.568 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.805 -178.018 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.479 ' CG ' ' H ' ' A' ' 49' ' ' VAL . 27.4 t70 53.25 -153.03 0.27 Allowed 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 122.882 0.473 . . . . 0.0 110.478 177.054 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.479 ' H ' ' CG ' ' A' ' 48' ' ' ASP . 2.5 m -77.97 108.39 11.23 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 CA-C-O 121.018 0.437 . . . . 0.0 109.941 175.716 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 49.8 p-80 -136.77 123.99 21.8 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.406 -176.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 15.6 m -128.44 136.14 60.75 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.523 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.572 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 83.0 mt -89.89 115.47 27.23 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.679 178.233 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.423 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 12.2 t -127.86 -171.28 2.4 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.678 -173.538 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.4 mt -102.08 120.82 52.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.873 -178.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.518 ' SG ' ' HB3' ' A' ' 57' ' ' ASP . 16.1 p -73.9 165.13 25.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.81 174.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -53.27 -41.53 65.63 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.701 0.286 . . . . 0.0 111.253 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.518 ' HB3' ' SG ' ' A' ' 55' ' ' CYS . 16.7 t70 -57.26 -48.87 77.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.058 178.094 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.44 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 69.5 m -67.9 -36.3 79.97 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.195 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.627 HE21 ' HA ' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -52.63 -34.82 53.11 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.995 173.896 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -72.38 -44.67 62.2 Favored 'General case' 0 N--CA 1.439 -1.025 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.805 -179.422 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.36 -32.68 74.45 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 177.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.455 HD11 ' NH2' ' A' ' 8' ' ' ARG . 0.5 OUTLIER -63.3 -58.77 6.06 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 113.81 -1.541 . . . . 0.0 111.709 176.574 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -56.84 -31.59 64.91 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 114.512 -1.222 . . . . 0.0 110.93 177.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -72.06 -58.59 3.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.656 177.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -127.83 95.71 34.02 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.09 178.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -55.56 152.44 33.66 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 123.426 2.75 . . . . 0.0 113.642 -174.44 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 63.1 m-70 64.54 80.51 0.23 Allowed 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.215 -178.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -90.88 75.44 6.42 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 178.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 32.1 m170 57.56 55.01 5.94 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.09 -176.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -143.2 139.8 30.45 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.16 -174.104 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -94.9 135.1 36.82 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 177.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 32.0 p-80 -71.82 114.1 9.56 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.17 0.51 . . . . 0.0 110.647 179.498 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 34.6 p . . . . . 0 C--O 1.253 1.238 0 CA-C-O 118.679 -0.676 . . . . 0.0 110.423 -179.259 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . . 25.3 mp0 . . . . . 0 N--CA 1.478 0.968 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 32.8 m -105.68 45.92 0.95 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.406 0.622 . . . . 0.0 110.101 177.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.491 ' SD ' HD12 ' A' ' 17' ' ' LEU . 26.2 ptt? -148.93 160.04 43.64 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.351 -0.841 . . . . 0.0 109.297 -178.199 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.442 ' O ' HG21 ' A' ' 49' ' ' VAL . . . -144.0 -72.9 0.27 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.015 0.436 . . . . 0.0 110.819 178.256 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.439 HD12 ' N ' ' A' ' 3' ' ' LEU . 5.7 mp -120.23 155.63 32.81 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.909 179.304 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.505 ' NE2' HD11 ' A' ' 17' ' ' LEU . 9.1 m170 -89.17 122.49 32.51 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 -177.169 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.55 ' HB2' ' N ' ' A' ' 15' ' ' GLY . 3.8 m-30 -90.93 121.44 32.76 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.454 -179.201 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.482 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 64.9 m-85 -127.99 128.45 45.05 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 174.694 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.645 ' HB3' ' HB2' ' A' ' 10' ' ' CYS . 24.6 t -73.44 144.55 46.26 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 -168.069 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 34.7 ttp85 -54.74 112.97 1.14 Allowed 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 113.658 -1.61 . . . . 0.0 109.977 168.17 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 81.91 -46.31 0.19 Allowed 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.078 0.951 . . . . 0.0 111.597 174.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.662 ' HB2' HG12 ' A' ' 12' ' ' VAL . 48.9 m -70.72 -35.18 72.59 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.091 0.472 . . . . 0.0 111.441 -178.766 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 75.76 -2.5 54.26 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.961 -0.638 . . . . 0.0 112.159 -175.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.662 HG12 ' HB2' ' A' ' 10' ' ' CYS . 2.5 p -65.17 135.28 28.54 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 CA-C-O 121.448 0.642 . . . . 0.0 112.051 -177.123 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.486 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 54.0 mttp -72.84 98.79 2.51 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 114.403 -1.271 . . . . 0.0 109.71 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -82.33 -3.46 7.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.375 0.607 . . . . 0.0 109.99 -177.659 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.55 ' N ' ' HB2' ' A' ' 5' ' ' TYR . . . -143.73 93.14 0.17 Allowed Glycine 0 N--CA 1.442 -0.926 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.173 179.186 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 43.9 t -79.78 135.31 36.46 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.162 0.506 . . . . 0.0 110.847 -178.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.505 HD11 ' NE2' ' A' ' 4' ' ' HIS . 2.1 pt? -146.46 -38.56 0.22 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.007 176.495 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -73.25 -46.93 47.23 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.272 -0.876 . . . . 0.0 109.809 176.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.0 m -67.81 -17.15 64.42 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.377 -0.828 . . . . 0.0 110.598 178.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.3 m -96.15 11.45 34.29 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.604 -177.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 24.7 ptm -150.1 -35.31 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 121.141 -0.224 . . . . 0.0 111.093 178.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.8 t 62.76 97.55 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.448 -0.55 0 C-N-CA 123.135 0.574 . . . . 0.0 111.764 178.372 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.9 t 75.31 121.8 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 114.683 -1.144 . . . . 0.0 111.004 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 10.8 p -82.08 154.14 25.75 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.751 179.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -89.08 -22.42 22.92 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 -178.138 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 43.0 t -59.63 116.41 4.01 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.21 177.405 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 42.3 tp -69.23 -59.72 2.83 Favored 'General case' 0 N--CA 1.432 -1.361 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.428 178.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 61.6 54.91 31.98 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.169 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.42 ' HB2' ' OE2' ' A' ' 36' ' ' GLU . 0.3 OUTLIER -73.17 -83.12 0.05 OUTLIER 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.994 0.426 . . . . 0.0 110.26 179.466 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 172.95 -43.03 0.01 OUTLIER 'General case' 0 N--CA 1.443 -0.779 0 CA-C-N 115.146 -0.934 . . . . 0.0 109.174 -175.164 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 54.2 t60 -171.13 55.0 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.039 -176.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 50.8 tp -59.03 -67.54 0.36 Allowed 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 121.332 0.587 . . . . 0.0 109.946 178.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -160.86 -175.66 5.07 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.083 -0.962 . . . . 0.0 109.081 177.365 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -58.79 -30.56 67.67 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.574 0.226 . . . . 0.0 110.874 179.154 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -56.26 -44.14 79.41 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.137 176.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.42 ' OE2' ' HB2' ' A' ' 29' ' ' PHE . 29.5 tt0 -72.8 -40.86 65.54 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 120.901 -0.32 . . . . 0.0 110.552 177.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.512 ' HA ' ' HA ' ' A' ' 41' ' ' ILE . 32.9 mtm180 -59.22 -40.11 84.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.285 -173.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -78.39 -40.51 35.9 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.454 -0.499 . . . . 0.0 111.759 -177.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -79.45 -58.12 3.36 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -175.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 3.7 mpp? -111.46 -12.84 13.95 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -173.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.595 HG23 ' H ' ' A' ' 42' ' ' SER . 9.6 tt 50.37 -72.97 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 124.888 1.275 . . . . 0.0 112.945 -172.202 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.595 ' H ' HG23 ' A' ' 41' ' ' ILE . 45.5 m -157.56 26.08 0.29 Allowed 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 176.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.619 ' OH ' ' HA2' ' A' ' 47' ' ' GLY . 55.2 t80 -123.15 130.5 52.85 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.849 -172.443 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 66.0 mmtt -72.01 133.32 45.24 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.311 177.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -67.55 -11.64 58.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.036 0.446 . . . . 0.0 110.63 179.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -69.42 -20.83 63.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.319 178.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.619 ' HA2' ' OH ' ' A' ' 43' ' ' TYR . . . 92.24 -31.57 5.95 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.939 -0.648 . . . . 0.0 114.095 171.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 24.8 t70 51.66 60.39 3.89 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 122.187 0.994 . . . . 0.0 109.094 -170.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.442 HG21 ' O ' ' A' ' 2' ' ' ALA . 0.0 OUTLIER -130.06 117.21 39.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 114.743 -1.117 . . . . 0.0 110.874 -174.428 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 42.3 p-80 -127.19 138.51 53.14 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 178.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.492 HG23 ' HA ' ' A' ' 5' ' ' TYR . 1.3 m -133.42 124.73 49.24 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.72 -179.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.482 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 3.1 mm? -84.95 109.7 18.35 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.282 177.346 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 14.5 t -133.13 -174.34 3.46 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.366 -177.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.416 HG23 ' HB2' ' A' ' 58' ' ' CYS . 1.3 mt -100.29 119.64 48.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.308 -175.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.416 ' SG ' ' HB3' ' A' ' 57' ' ' ASP . 19.6 p -68.24 166.14 16.99 Favored 'General case' 0 CA--C 1.522 -0.105 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.842 176.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.424 ' O ' ' HB3' ' A' ' 59' ' ' GLN . 42.6 mt-10 -58.5 -32.67 69.03 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.696 0.284 . . . . 0.0 110.564 -178.277 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.416 ' HB3' ' SG ' ' A' ' 55' ' ' CYS . 23.2 t70 -66.57 -44.72 81.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.727 178.101 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.416 ' HB2' HG23 ' A' ' 54' ' ' ILE . 33.2 m -65.09 -42.0 94.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.029 0.443 . . . . 0.0 110.065 174.661 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.424 ' HB3' ' O ' ' A' ' 56' ' ' GLU . 21.6 tp60 -51.6 -36.18 44.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.784 173.506 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -73.97 -43.96 56.39 Favored 'General case' 0 N--CA 1.434 -1.243 0 CA-C-O 120.902 0.382 . . . . 0.0 111.416 179.036 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.779 ' O ' ' HB3' ' A' ' 65' ' ' ASN . . . -60.98 -29.02 69.43 Favored 'General case' 0 CA--C 1.507 -0.705 0 CA-C-O 122.628 1.204 . . . . 0.0 108.516 177.482 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.404 ' HB2' ' O ' ' A' ' 58' ' ' CYS . 0.5 OUTLIER -75.16 -60.2 2.4 Favored 'General case' 0 N--CA 1.427 -1.6 0 CA-C-N 113.514 -1.675 . . . . 0.0 112.065 -179.384 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -66.17 -42.21 89.25 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 114.733 -1.122 . . . . 0.0 112.552 -173.234 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -132.38 83.95 2.11 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.56 0.695 . . . . 0.0 111.383 -175.237 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.779 ' HB3' ' O ' ' A' ' 61' ' ' ALA . 6.9 p30 -124.51 143.95 44.7 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.036 -177.295 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -76.11 -31.65 4.72 Favored 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 122.478 2.118 . . . . 0.0 112.212 174.353 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 8.3 p80 -174.23 46.11 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.097 0.475 . . . . 0.0 111.491 177.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -84.65 -41.92 15.85 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.947 0.403 . . . . 0.0 110.699 -178.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 9.1 p80 -144.85 143.99 30.89 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -70.89 93.04 0.95 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.158 0.504 . . . . 0.0 111.165 -177.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 7.1 p90 -73.55 -15.09 61.3 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.501 176.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 57.4 t60 -81.1 -20.2 42.0 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.95 176.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.8 m . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.946 -0.55 . . . . 0.0 110.266 -177.817 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . . 78.6 mm-40 . . . . . 0 N--CA 1.48 1.053 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 21.2 m -109.8 6.38 23.43 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.505 176.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.8 ttp -136.22 144.76 45.05 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-O 121.563 0.697 . . . . 0.0 111.997 -175.591 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.43 ' O ' HG21 ' A' ' 49' ' ' VAL . . . -124.73 -54.34 1.65 Allowed 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 114.354 -1.294 . . . . 0.0 109.112 173.703 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.447 HD12 ' N ' ' A' ' 3' ' ' LEU . 6.3 mp -105.62 152.12 23.51 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 114.967 -1.015 . . . . 0.0 108.912 174.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.503 ' HB3' ' CE2' ' A' ' 6' ' ' TYR . 77.0 m80 -87.63 123.74 32.8 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 179.624 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.488 ' CD2' HG21 ' A' ' 53' ' ' THR . 2.4 m-30 -101.77 112.25 24.78 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.199 -0.91 . . . . 0.0 111.039 -174.252 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.55 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 80.6 m-85 -124.0 135.4 53.6 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 174.677 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.628 ' HB3' ' HB2' ' A' ' 10' ' ' CYS . 9.1 t -82.02 131.96 35.25 Favored 'General case' 0 CA--C 1.505 -0.771 0 C-N-CA 120.07 -0.652 . . . . 0.0 112.68 -171.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.538 HH21 HD11 ' A' ' 54' ' ' ILE . 3.3 ppt_? -66.6 124.28 22.39 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-N 114.671 -1.149 . . . . 0.0 108.849 170.779 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.434 ' HB3' ' O ' ' A' ' 8' ' ' ARG . 45.2 t60 90.51 -17.07 0.2 Allowed 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 114.289 -1.323 . . . . 0.0 110.856 172.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.628 ' HB2' ' HB3' ' A' ' 7' ' ' CYS . 63.0 m -110.6 -39.69 4.82 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.993 0.425 . . . . 0.0 111.4 179.351 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 81.25 3.98 90.56 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.866 -0.683 . . . . 0.0 111.833 -174.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.613 HG12 ' HB2' ' A' ' 10' ' ' CYS . 1.9 p -74.58 132.48 33.28 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.459 0 CA-C-O 121.532 0.682 . . . . 0.0 112.391 -177.733 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.509 ' HG3' ' CD1' ' A' ' 6' ' ' TYR . 0.1 OUTLIER -75.56 95.16 3.28 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 114.362 -1.29 . . . . 0.0 109.519 177.72 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -75.67 -31.6 23.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.335 -172.304 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -144.32 51.8 0.62 Allowed Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.087 -176.255 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 43.2 m -148.23 75.63 1.34 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.436 0.636 . . . . 0.0 109.517 178.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -105.41 -15.71 14.94 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.278 -0.874 . . . . 0.0 109.741 -176.403 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.1 mp0 -65.86 -17.09 64.41 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.337 -1.302 . . . . 0.0 111.232 -176.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.5 p -57.31 -28.78 63.36 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.619 178.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 37.5 t -63.13 -25.33 68.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.967 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 53.9 mtm -108.03 -29.6 8.9 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-O 121.48 0.657 . . . . 0.0 109.447 -178.258 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 59.7 t -107.02 97.48 5.71 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.88 0 CA-C-N 114.589 -1.187 . . . . 0.0 110.439 -176.56 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.5 m -75.14 -30.0 60.65 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.638 178.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.0 m -89.26 80.37 6.89 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.309 0.576 . . . . 0.0 110.425 -179.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -96.62 -21.11 17.83 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 178.051 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 20.1 t -119.46 126.92 52.48 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 114.372 -1.286 . . . . 0.0 109.5 -178.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.0 tt -67.29 -70.46 0.25 Allowed 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.792 -0.448 . . . . 0.0 109.792 178.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 69.98 125.21 0.04 OUTLIER Glycine 0 CA--C 1.519 0.319 0 C-N-CA 120.706 -0.759 . . . . 0.0 113.023 178.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.559 ' CD1' HD13 ' A' ' 32' ' ' LEU . 8.6 p90 -139.89 130.08 25.14 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.557 0.694 . . . . 0.0 111.235 -178.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -100.58 -62.63 1.22 Allowed 'General case' 0 N--CA 1.438 -1.062 0 CA-C-N 114.915 -1.039 . . . . 0.0 109.063 178.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 40.2 t-80 -101.04 112.68 25.2 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 170.213 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.559 HD13 ' CD1' ' A' ' 29' ' ' PHE . 1.6 pt? -127.33 130.68 49.93 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-O 121.615 0.722 . . . . 0.0 110.673 -175.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 96.3 m -157.37 -89.55 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.199 -0.91 . . . . 0.0 109.442 -175.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 15.1 p-10 -77.05 -28.84 54.94 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 170.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.447 ' HG3' ' H ' ' A' ' 35' ' ' GLU . 10.5 mt-10 -62.26 -36.61 82.59 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.22 -1.354 . . . . 0.0 109.33 174.234 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -65.43 -50.73 64.32 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.431 -1.259 . . . . 0.0 109.995 175.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -64.85 -54.56 29.05 Favored 'General case' 0 N--CA 1.442 -0.83 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.784 -175.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -75.5 -57.76 3.69 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.934 -173.068 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.409 ' HB2' ' O ' ' A' ' 35' ' ' GLU . 5.1 m-20 -73.91 -56.06 5.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.929 -173.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 18.7 ttt -77.12 -43.38 34.32 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.621 -174.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 47.8 mt 65.77 -76.85 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.384 -174.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 67.6 m -160.97 11.74 0.09 Allowed 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 122.544 0.338 . . . . 0.0 110.49 178.562 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 30.2 p90 -131.5 162.63 29.81 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.289 0.566 . . . . 0.0 111.597 -173.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -100.43 148.21 24.99 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.4 175.181 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -64.97 -18.93 65.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.299 0.571 . . . . 0.0 110.805 -178.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -74.32 -8.39 56.08 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.162 176.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.1 -3.37 38.47 Favored Glycine 0 N--CA 1.449 -0.465 0 N-CA-C 111.346 -0.701 . . . . 0.0 111.346 -176.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 29.3 t70 57.04 22.22 7.11 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 121.782 0.801 . . . . 0.0 110.565 -176.307 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.43 HG21 ' O ' ' A' ' 2' ' ' ALA . 2.2 m -106.67 92.64 2.17 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.72 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.944 178.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -125.4 92.5 3.63 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.115 -0.948 . . . . 0.0 108.806 -176.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.5 m -109.8 134.13 52.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-O 121.326 0.584 . . . . 0.0 112.051 -172.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.55 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 86.2 mt -90.52 115.78 27.92 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.259 174.577 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.488 HG21 ' CD2' ' A' ' 5' ' ' TYR . 14.6 t -128.53 -173.4 2.95 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.706 -173.14 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.546 HD13 HD11 ' A' ' 62' ' ' LEU . 1.7 mt -100.62 122.15 52.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.602 -179.267 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 18.8 p -72.84 166.19 23.43 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 174.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -56.96 -41.26 78.01 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 117.687 0.221 . . . . 0.0 111.29 -175.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -60.36 -39.78 88.41 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.963 0.411 . . . . 0.0 110.879 177.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 13.1 m -66.2 -45.24 81.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.927 176.352 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.813 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 18.4 tt0 -59.04 -30.97 68.43 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.873 0.368 . . . . 0.0 111.683 173.564 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -71.26 -41.61 69.85 Favored 'General case' 0 N--CA 1.429 -1.487 0 O-C-N 121.191 -0.943 . . . . 0.0 111.025 174.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.24 -31.16 61.28 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 122.207 1.003 . . . . 0.0 109.183 169.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.813 ' HB2' ' O ' ' A' ' 59' ' ' GLN . 0.4 OUTLIER -68.97 -58.72 3.73 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 113.394 -1.73 . . . . 0.0 111.416 178.476 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -67.76 -32.83 73.7 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.41 -1.268 . . . . 0.0 111.91 -176.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.478 ' O ' ' HB2' ' A' ' 65' ' ' ASN . 19.5 ttm180 -114.74 -129.54 0.3 Allowed 'General case' 0 N--CA 1.444 -0.772 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 176.765 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.478 ' HB2' ' O ' ' A' ' 64' ' ' ARG . 45.7 t-20 169.95 82.86 0.03 OUTLIER Pre-proline 0 C--N 1.33 -0.266 0 C-N-CA 123.242 0.617 . . . . 0.0 110.093 -179.503 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -68.82 -49.61 0.71 Allowed 'Trans proline' 0 C--N 1.333 -0.259 0 C-N-CA 122.681 2.254 . . . . 0.0 110.833 172.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -162.79 37.46 0.1 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.483 -0.781 . . . . 0.0 108.98 175.055 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -90.09 95.54 10.26 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.025 -0.988 . . . . 0.0 111.067 -172.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 67.1 m-70 50.93 49.62 20.77 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.907 175.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -89.02 16.71 6.62 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.087 -174.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -81.8 46.79 1.02 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.338 0.59 . . . . 0.0 111.137 179.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 6.7 p-80 -137.53 28.64 2.71 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.327 0.584 . . . . 0.0 110.078 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.7 p . . . . . 0 C--O 1.248 0.998 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.66 -179.213 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' -1' ' ' GLN . . . . . 0.433 ' HG2' ' O ' ' A' ' -1' ' ' GLN . 5.0 pm0 . . . . . 0 N--CA 1.479 0.977 0 CA-C-O 121.479 0.657 . . . . 0.0 110.549 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 26.0 t -148.87 114.86 5.74 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.539 177.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -114.07 174.71 5.81 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.71 -178.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.73 -12.12 56.22 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.233 0.54 . . . . 0.0 110.469 179.289 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.509 ' CB ' ' HB ' ' A' ' 49' ' ' VAL . 0.3 OUTLIER -118.14 157.91 26.04 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.572 -176.749 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.463 ' O ' ' HB ' ' A' ' 51' ' ' VAL . 1.4 m80 -129.16 127.37 41.25 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.556 -177.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.448 ' CD1' HG21 ' A' ' 53' ' ' THR . 3.3 m-85 -89.08 116.13 27.13 Favored 'General case' 0 C--N 1.298 -1.672 0 CA-C-N 114.718 -1.128 . . . . 0.0 111.161 -177.298 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.483 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 99.1 m-85 -124.65 135.24 52.9 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 171.296 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.551 ' HB2' HG13 ' A' ' 12' ' ' VAL . 3.2 t -82.47 132.22 35.21 Favored 'General case' 0 CA--C 1.5 -0.944 0 C-N-CA 118.915 -1.114 . . . . 0.0 112.649 -172.532 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.461 ' O ' ' HG3' ' A' ' 8' ' ' ARG . 20.6 ptt180 -62.28 123.34 17.95 Favored 'General case' 0 N--CA 1.436 -1.138 0 CA-C-N 114.246 -1.343 . . . . 0.0 108.942 173.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 26.5 t-80 82.72 -41.21 0.11 Allowed 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.358 168.32 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.576 ' HB2' HG12 ' A' ' 12' ' ' VAL . 26.5 m -72.85 -33.34 66.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.279 0.561 . . . . 0.0 110.063 175.639 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 75.53 12.15 83.9 Favored Glycine 0 N--CA 1.448 -0.561 0 CA-C-N 115.35 -0.841 . . . . 0.0 112.221 179.042 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.576 HG12 ' HB2' ' A' ' 10' ' ' CYS . 1.3 p -83.0 130.35 35.87 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 CA-C-O 121.122 0.487 . . . . 0.0 111.433 -178.565 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.611 ' O ' ' HD3' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -80.29 95.75 6.43 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.979 0.895 . . . . 0.0 109.458 178.748 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.402 HG23 ' H ' ' A' ' 14' ' ' VAL . 0.0 OUTLIER -73.52 -35.6 45.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.939 -174.812 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 76.74 -65.81 2.83 Favored Glycine 0 N--CA 1.444 -0.828 0 N-CA-C 110.709 -0.956 . . . . 0.0 110.709 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.3 t -179.3 160.89 1.04 Allowed 'General case' 0 N--CA 1.442 -0.844 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.404 ' HG ' ' HG2' ' A' ' 18' ' ' GLU . 2.5 pt? -166.38 -26.08 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.5 0.667 . . . . 0.0 110.117 -178.278 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.404 ' HG2' ' HG ' ' A' ' 17' ' ' LEU . 5.4 pt-20 -134.51 93.92 3.12 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.107 -0.951 . . . . 0.0 110.067 176.689 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.415 ' HA ' ' HB ' ' A' ' 22' ' ' VAL . 2.9 p -112.59 17.14 19.43 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.409 -177.1 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.1 m -56.7 -42.57 79.37 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.13 -0.941 . . . . 0.0 111.548 -178.417 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 25.5 ptt? -111.82 -0.43 15.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.343 0.592 . . . . 0.0 110.051 -179.281 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.415 ' HB ' ' HA ' ' A' ' 19' ' ' SER . 40.0 t -103.61 86.79 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.865 -179.123 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.4 m -133.62 101.95 5.31 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.246 -178.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.6 m -84.16 112.74 20.52 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.094 177.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -85.99 -27.41 24.86 Favored 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 179.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.405 ' HA ' ' CG ' ' A' ' 40' ' ' MET . 28.1 t -81.72 53.44 2.15 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 114.359 -1.292 . . . . 0.0 109.673 177.275 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 40.0 tp -141.64 96.63 3.01 Favored 'General case' 0 N--CA 1.432 -1.369 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.968 -173.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -86.4 9.2 71.37 Favored Glycine 0 N--CA 1.452 -0.238 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 175.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.465 ' CD1' HD11 ' A' ' 32' ' ' LEU . 22.6 m-85 65.0 -83.14 0.03 OUTLIER 'General case' 0 C--O 1.233 0.224 0 C-N-CA 124.209 1.004 . . . . 0.0 111.223 -179.015 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.466 ' O ' ' HB3' ' A' ' 43' ' ' TYR . 79.1 mt-30 -144.59 -89.24 0.11 Allowed 'General case' 0 CA--C 1.517 -0.302 0 CA-C-O 121.6 0.714 . . . . 0.0 111.073 -175.261 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 69.0 m80 -133.02 69.26 1.48 Allowed 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.771 176.09 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.465 HD11 ' CD1' ' A' ' 29' ' ' PHE . 62.9 mt -63.64 -77.83 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.38 176.542 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.3 m -157.32 157.72 34.68 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.734 -0.667 . . . . 0.0 109.772 178.087 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -50.96 -49.06 60.79 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 120.803 0.335 . . . . 0.0 111.207 179.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -53.76 -39.03 65.01 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.883 -0.599 . . . . 0.0 112.017 179.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -67.12 -46.4 74.25 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.119 0.485 . . . . 0.0 110.314 178.257 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.553 ' HG2' ' HA ' ' A' ' 42' ' ' SER . 74.2 mtp180 -60.89 -43.15 98.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.294 -0.867 . . . . 0.0 110.967 -178.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -72.87 -26.94 61.63 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.273 -178.449 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -71.85 -57.34 4.41 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.656 -0.247 . . . . 0.0 111.636 -175.249 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.405 ' CG ' ' HA ' ' A' ' 26' ' ' SER . 46.8 tpp -120.29 -46.94 2.38 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.801 -177.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.423 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 14.8 tt 178.06 160.35 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 -179.3 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.553 ' HA ' ' HG2' ' A' ' 37' ' ' ARG . 67.7 m -68.43 -63.14 1.12 Allowed 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -178.503 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.466 ' HB3' ' O ' ' A' ' 30' ' ' GLN . 30.5 p90 -151.73 -165.42 2.23 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.866 -0.334 . . . . 0.0 111.497 -172.691 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -42.41 121.77 2.03 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.74 0.816 . . . . 0.0 112.105 177.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.404 ' HG2' ' CD1' ' A' ' 41' ' ' ILE . 43.9 mt-10 -70.11 -44.51 68.83 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.544 -178.348 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -103.95 6.39 36.22 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.857 0.836 . . . . 0.0 109.664 -179.251 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.578 ' O ' ' HB2' ' A' ' 48' ' ' ASP . . . 90.48 -36.23 3.64 Favored Glycine 0 N--CA 1.447 -0.578 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.492 -177.637 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.578 ' HB2' ' O ' ' A' ' 47' ' ' GLY . 13.1 t70 165.64 153.82 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 123.925 0.89 . . . . 0.0 108.706 175.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.509 ' HB ' ' CB ' ' A' ' 3' ' ' LEU . 6.7 t -105.76 106.65 20.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.051 179.209 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 18.3 t-80 -73.94 103.92 4.61 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 176.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.463 ' HB ' ' O ' ' A' ' 4' ' ' HIS . 66.4 t -107.71 123.09 62.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.446 -171.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.483 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 3.2 mm? -103.16 110.08 21.9 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.859 177.028 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.448 HG21 ' CD1' ' A' ' 5' ' ' TYR . 15.2 t -125.38 -170.66 2.21 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.293 -0.412 . . . . 0.0 109.957 -178.776 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.589 HG12 ' SG ' ' A' ' 58' ' ' CYS . 0.4 OUTLIER -114.13 114.57 47.08 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 CA-C-O 121.379 0.609 . . . . 0.0 110.388 177.257 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 22.0 p -70.66 -177.89 1.67 Allowed 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.309 177.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -69.53 -32.58 71.49 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.688 -0.233 . . . . 0.0 111.407 -176.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -56.6 -50.78 70.94 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 120.876 0.369 . . . . 0.0 111.448 -178.45 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.607 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 2.3 p -75.72 -51.5 12.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.822 -178.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.553 ' HB2' ' CG2' ' A' ' 54' ' ' ILE . 21.1 tm0? -51.91 -35.84 46.88 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.254 0.622 . . . . 0.0 112.176 -176.792 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -67.53 -56.26 10.21 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 121.061 0.458 . . . . 0.0 110.659 -176.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.9 -32.0 73.18 Favored 'General case' 0 CA--C 1.503 -0.845 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 179.05 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.607 ' HB2' ' O ' ' A' ' 58' ' ' CYS . 0.2 OUTLIER -58.64 -58.64 7.66 Favored 'General case' 0 N--CA 1.44 -0.958 0 CA-C-N 113.731 -1.577 . . . . 0.0 111.451 -177.378 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -73.15 -28.73 62.4 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.791 -177.081 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -74.36 -45.9 44.07 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 111.702 0.26 . . . . 0.0 111.702 -177.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -151.34 160.6 31.61 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 120.96 0.41 . . . . 0.0 111.652 -174.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -74.31 167.01 28.16 Favored 'Trans proline' 0 N--CA 1.461 -0.393 0 C-N-CA 122.585 2.19 . . . . 0.0 111.012 170.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 62.05 53.99 2.86 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 120.899 0.38 . . . . 0.0 110.517 -178.035 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 39.0 p90 -62.16 135.07 57.34 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.52 -178.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 16.3 t-80 74.41 -37.85 0.37 Allowed 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 123.917 0.887 . . . . 0.0 111.458 178.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -81.38 50.59 1.48 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.31 0.576 . . . . 0.0 110.341 176.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -133.72 131.85 39.9 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.406 -178.348 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 16.7 p-80 -57.15 -24.14 52.24 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.836 -177.387 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 27.8 m . . . . . 0 C--O 1.248 0.984 0 CA-C-O 118.749 -0.643 . . . . 0.0 109.472 177.003 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 . . . . . 0 N--CA 1.482 1.14 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 25.8 t -76.54 -35.17 58.41 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 176.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.5 mtt -92.78 161.61 14.45 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.377 -0.829 . . . . 0.0 108.773 172.426 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.455 ' O ' HG21 ' A' ' 49' ' ' VAL . . . -96.7 -64.44 1.05 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.186 0.517 . . . . 0.0 110.107 177.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.44 HD12 ' C ' ' A' ' 2' ' ' ALA . 6.6 mp -127.27 153.16 46.48 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.446 177.516 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 35.7 m80 -86.01 121.48 28.7 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 -179.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.477 ' HB2' ' N ' ' A' ' 15' ' ' GLY . 7.6 m-30 -98.75 126.26 44.32 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.305 -173.443 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.535 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 81.8 m-85 -131.36 131.43 43.69 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 173.591 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.574 ' HB3' ' HB2' ' A' ' 10' ' ' CYS . 11.8 t -78.19 137.21 38.04 Favored 'General case' 0 CA--C 1.5 -0.972 0 CA-C-O 121.735 0.779 . . . . 0.0 112.882 -170.342 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.453 ' O ' ' HB3' ' A' ' 9' ' ' HIS . 34.0 ptt180 -65.89 126.48 28.67 Favored 'General case' 0 N--CA 1.435 -1.218 0 CA-C-N 113.836 -1.529 . . . . 0.0 108.674 168.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.453 ' HB3' ' O ' ' A' ' 8' ' ' ARG . 24.3 t60 86.97 -44.39 0.04 OUTLIER 'General case' 0 C--N 1.309 -1.155 0 CA-C-N 114.061 -1.427 . . . . 0.0 110.933 173.595 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.634 ' HB2' HG12 ' A' ' 12' ' ' VAL . 61.1 m -78.45 -42.47 29.81 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.275 0.559 . . . . 0.0 111.283 179.749 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 81.44 8.66 86.8 Favored Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 120.522 -0.846 . . . . 0.0 111.6 -173.475 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.634 HG12 ' HB2' ' A' ' 10' ' ' CYS . 2.4 p -78.09 134.65 27.8 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.571 0 CA-C-O 121.436 0.636 . . . . 0.0 111.736 -178.042 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.7 mttm -76.58 93.93 3.66 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 114.718 -1.128 . . . . 0.0 108.881 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.472 ' HB ' ' HB3' ' A' ' 5' ' ' TYR . 0.3 OUTLIER -69.94 -30.81 45.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.037 -172.717 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.477 ' N ' ' HB2' ' A' ' 5' ' ' TYR . . . -75.32 -9.11 84.29 Favored Glycine 0 C--N 1.329 0.18 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.319 -178.321 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 40.5 t -116.1 150.74 36.87 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 -178.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.45 HD23 ' H ' ' A' ' 17' ' ' LEU . 1.7 pt? -125.35 -20.58 4.77 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.367 0.603 . . . . 0.0 110.252 178.622 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -87.22 -74.64 0.43 Allowed 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.294 178.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.6 m 54.99 42.23 31.22 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.819 175.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 30.1 m -96.76 -64.91 1.0 Allowed 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.619 178.479 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 82.4 mmm -105.98 -12.32 15.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.765 0.317 . . . . 0.0 110.929 178.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.5 p -84.07 76.09 1.15 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 CA-C-O 122.141 0.972 . . . . 0.0 110.73 -178.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.6 m -81.47 63.8 5.93 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.341 178.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.6 t -51.35 138.54 21.13 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.092 -0.958 . . . . 0.0 111.507 -179.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -97.56 -55.61 2.77 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-N 115.405 -0.816 . . . . 0.0 108.837 -177.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 21.3 t 56.97 52.46 9.23 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 121.975 0.893 . . . . 0.0 110.391 172.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 94.0 mt -130.91 159.38 37.6 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.077 -0.965 . . . . 0.0 109.89 -179.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -86.94 45.32 3.41 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 121.298 -0.477 . . . . 0.0 113.589 -173.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.5 ' HB2' ' HA ' ' A' ' 32' ' ' LEU . 36.7 p90 -155.76 141.28 17.8 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.149 0.499 . . . . 0.0 110.635 175.482 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -103.72 -61.85 1.38 Allowed 'General case' 0 CA--C 1.509 -0.619 0 CA-C-O 122.358 1.075 . . . . 0.0 108.137 175.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.505 ' C ' HD23 ' A' ' 32' ' ' LEU . 24.0 p80 -110.23 11.08 23.66 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 113.126 -1.852 . . . . 0.0 108.721 177.067 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.513 ' HB2' ' HB2' ' A' ' 36' ' ' GLU . 1.6 pt? 41.61 -137.44 0.19 Allowed 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 114.012 -1.449 . . . . 0.0 112.713 177.549 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.466 ' O ' ' HB3' ' A' ' 36' ' ' GLU . 58.7 m 66.72 -87.76 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 117.555 0.161 . . . . 0.0 111.195 -173.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -74.54 -36.83 63.14 Favored 'General case' 0 CA--C 1.511 -0.526 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 176.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.432 ' HB2' ' HA ' ' A' ' 32' ' ' LEU . 5.7 mt-10 -73.52 -26.08 60.71 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.824 -1.08 . . . . 0.0 108.998 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.513 ' HB2' ' HB2' ' A' ' 32' ' ' LEU . 39.3 tt0 -56.61 -46.43 80.91 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.341 -1.3 . . . . 0.0 110.943 178.57 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.445 ' O ' HG13 ' A' ' 41' ' ' ILE . 52.3 mtm180 -68.04 -31.97 71.99 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.988 -177.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -73.36 -43.49 60.6 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.167 -178.554 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -67.33 -31.94 72.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.555 179.234 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 15.7 tpt -63.54 -29.12 70.43 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.032 177.25 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.445 HG13 ' O ' ' A' ' 37' ' ' ARG . 73.0 mt -77.36 -65.2 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.516 174.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 44.5 p 176.83 -46.12 0.01 OUTLIER 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.839 -178.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -51.88 119.5 4.34 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.162 -0.927 . . . . 0.0 112.802 -173.151 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 35.4 mmtm -93.49 121.33 34.79 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 114.77 -1.104 . . . . 0.0 108.773 173.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.474 ' H ' ' HG3' ' A' ' 45' ' ' GLU . 1.5 pp20? -57.31 -28.09 62.76 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 113.291 0.849 . . . . 0.0 113.291 -174.665 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -94.52 -6.88 42.76 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.24 0.543 . . . . 0.0 110.352 179.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.64 27.04 63.85 Favored Glycine 0 N--CA 1.445 -0.732 0 N-CA-C 110.706 -0.957 . . . . 0.0 110.706 -172.419 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -56.37 135.11 54.01 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 121.318 0.58 . . . . 0.0 111.199 -174.075 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.455 HG21 ' O ' ' A' ' 2' ' ' ALA . 0.4 OUTLIER -88.47 93.89 4.48 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.265 -179.469 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -117.28 108.08 15.19 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.008 -175.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.4 m -127.68 143.84 39.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.272 0.558 . . . . 0.0 112.002 -176.512 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.535 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 2.8 mm? -98.48 122.65 41.94 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 175.174 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.423 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 13.8 t -142.8 -172.48 3.66 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 120.907 0.384 . . . . 0.0 111.36 -173.248 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 7.1 mt -88.17 128.92 40.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.993 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 17.6 p -82.75 166.63 18.89 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 173.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.475 ' HB3' ' CZ ' ' A' ' 68' ' ' TYR . 52.9 mp0 -55.06 -45.71 75.34 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.801 0.334 . . . . 0.0 110.794 -177.212 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.426 ' O ' ' HB3' ' A' ' 60' ' ' GLU . 25.1 t70 -61.26 -40.9 95.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.311 179.478 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.681 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 4.6 m -61.02 -53.82 52.45 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.53 176.452 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.432 ' OE1' ' HB2' ' A' ' 63' ' ' ASP . 0.0 OUTLIER -53.2 -37.12 61.71 Favored 'General case' 0 N--CA 1.467 0.376 0 O-C-N 123.712 0.633 . . . . 0.0 110.846 177.916 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.426 ' HB3' ' O ' ' A' ' 57' ' ' ASP . 8.8 tp10 -58.1 -56.99 14.93 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.764 0.792 . . . . 0.0 111.438 -179.672 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.45 -28.22 68.42 Favored 'General case' 0 N--CA 1.44 -0.94 0 CA-C-N 114.275 -1.33 . . . . 0.0 108.203 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.681 ' HB2' ' O ' ' A' ' 58' ' ' CYS . 0.3 OUTLIER -70.07 -57.97 4.36 Favored 'General case' 0 N--CA 1.434 -1.242 0 CA-C-N 113.956 -1.474 . . . . 0.0 111.294 -173.118 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.432 ' HB2' ' OE1' ' A' ' 59' ' ' GLN . 38.8 t70 -73.46 -24.76 60.26 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.735 -178.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 70.23 2.31 3.93 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.512 0.725 . . . . 0.0 112.474 173.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -93.82 117.18 67.21 Favored Pre-proline 0 C--N 1.319 -0.733 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 172.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.418 ' O ' ' HB2' ' A' ' 67' ' ' HIS . 80.5 Cg_exo -47.68 137.09 21.13 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 123.101 2.534 . . . . 0.0 112.497 -177.075 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.418 ' HB2' ' O ' ' A' ' 66' ' ' PRO . 26.6 m-70 70.49 82.3 0.16 Allowed 'General case' 0 C--N 1.328 -0.367 0 O-C-N 123.896 0.748 . . . . 0.0 110.494 -176.632 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.475 ' CZ ' ' HB3' ' A' ' 56' ' ' GLU . 29.3 p90 -51.23 163.11 0.26 Allowed 'General case' 0 C--O 1.236 0.392 0 CA-C-N 115.025 -0.989 . . . . 0.0 111.01 176.281 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 45.1 t60 67.6 67.26 0.38 Allowed 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.315 -0.402 . . . . 0.0 109.923 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 68.13 112.99 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.652 -179.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -74.83 94.15 2.73 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.135 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 29.4 t60 -64.77 100.76 0.42 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.253 179.129 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 26.4 m . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.648 -0.692 . . . . 0.0 110.251 -179.643 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 . . . . . 0 N--CA 1.483 1.209 0 CA-C-O 120.476 0.179 . . . . 0.0 111.058 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 17.0 m 68.08 -55.51 0.5 Allowed 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.443 0.697 . . . . 0.0 112.402 179.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.8 ptp -87.88 177.08 7.08 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.583 -0.281 . . . . 0.0 110.421 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.493 ' O ' HG21 ' A' ' 49' ' ' VAL . . . 77.54 -52.33 0.53 Allowed 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.753 0.821 . . . . 0.0 111.614 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.474 ' HA ' ' HB ' ' A' ' 49' ' ' VAL . 7.1 mp -119.62 154.17 34.39 Favored 'General case' 0 C--N 1.313 -0.986 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 177.289 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.427 ' HB2' ' O ' ' A' ' 49' ' ' VAL . 40.0 m80 -93.2 122.08 35.22 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 108.423 -0.955 . . . . 0.0 108.423 176.403 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.575 ' H ' ' HA3' ' A' ' 15' ' ' GLY . 13.1 m-30 -99.74 129.8 45.89 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.639 -174.566 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.401 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 77.1 m-85 -127.4 132.67 50.08 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-O 121.62 0.724 . . . . 0.0 110.676 176.781 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.691 ' HB3' ' O ' ' A' ' 12' ' ' VAL . 0.0 OUTLIER -76.88 117.86 18.9 Favored 'General case' 0 N--CA 1.437 -1.111 0 CA-C-N 114.521 -1.218 . . . . 0.0 112.137 -174.394 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.417 HH21 HD11 ' A' ' 62' ' ' LEU . 32.9 ptt180 -66.18 131.59 46.52 Favored 'General case' 0 N--CA 1.436 -1.131 0 CA-C-N 115.223 -0.899 . . . . 0.0 108.662 166.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 44.6 t-80 90.46 -58.77 0.02 OUTLIER 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 115.316 -0.857 . . . . 0.0 113.26 168.46 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -83.6 -24.77 31.35 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 119.912 -0.715 . . . . 0.0 110.822 -172.071 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 83.62 33.18 22.71 Favored Glycine 0 C--N 1.334 0.435 0 C-N-CA 120.966 -0.635 . . . . 0.0 113.536 174.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.691 ' O ' ' HB3' ' A' ' 7' ' ' CYS . 2.4 p -106.38 139.81 26.55 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-O 121.961 0.886 . . . . 0.0 112.076 176.114 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 31.0 mtmm -89.76 94.77 9.96 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.102 -178.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.494 HG23 ' HB3' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -71.27 -22.51 22.45 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 CA-C-O 120.831 0.348 . . . . 0.0 111.063 -177.582 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.575 ' HA3' ' H ' ' A' ' 5' ' ' TYR . . . -129.92 55.14 0.77 Allowed Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.071 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.1 m -148.58 59.71 1.08 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.455 0.645 . . . . 0.0 109.472 174.311 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.509 HD23 ' H ' ' A' ' 17' ' ' LEU . 1.1 pt? -114.23 -19.78 11.16 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.168 -0.924 . . . . 0.0 109.382 -177.536 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -128.23 46.79 2.52 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 114.898 -1.046 . . . . 0.0 109.683 173.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 75.1 m -102.61 16.33 26.72 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.103 -179.174 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 51.4 m -74.57 -34.7 62.96 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.604 -179.313 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 22.9 mmt -101.27 -7.36 23.1 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.939 0.4 . . . . 0.0 110.701 -179.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.5 p -141.75 128.41 19.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.086 0.47 . . . . 0.0 110.662 -177.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.549 ' H ' ' HB3' ' A' ' 26' ' ' SER . 80.8 p -144.34 -162.04 1.4 Allowed 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.044 -0.525 . . . . 0.0 109.932 -177.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.2 m -80.4 -31.46 37.7 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.993 0.425 . . . . 0.0 110.681 179.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -90.75 -35.92 14.59 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 -177.12 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.549 ' HB3' ' H ' ' A' ' 23' ' ' SER . 24.7 t -66.18 133.36 50.5 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 114.955 -1.021 . . . . 0.0 109.777 175.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.4 mp -84.07 127.38 33.86 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.419 -178.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.429 ' O ' ' HB2' ' A' ' 45' ' ' GLU . . . -82.18 82.47 1.61 Allowed Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.847 -0.692 . . . . 0.0 111.724 176.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 42.5 p90 -124.62 -161.01 0.98 Allowed 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 177.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.56 -52.24 1.93 Allowed 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.599 178.231 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 30.3 t60 -179.93 100.23 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.472 ' HB2' ' HB3' ' A' ' 36' ' ' GLU . 1.2 pp -156.12 168.42 27.33 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 120.833 0.349 . . . . 0.0 111.495 -173.13 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.5 p -104.35 178.53 4.53 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.657 173.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.422 ' HA ' ' HD3' ' A' ' 37' ' ' ARG . 77.9 m-20 -64.23 -23.05 67.17 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.225 0.536 . . . . 0.0 109.867 177.365 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -54.84 -55.58 28.74 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.538 172.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.472 ' HB3' ' HB2' ' A' ' 32' ' ' LEU . 4.0 tp10 -67.64 -33.46 75.0 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.898 -1.046 . . . . 0.0 110.653 -177.112 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.533 ' O ' ' HB ' ' A' ' 41' ' ' ILE . 77.7 mtp180 -56.51 -50.06 72.9 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 115.74 -0.663 . . . . 0.0 111.476 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -78.22 -38.23 43.58 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.751 0.31 . . . . 0.0 111.309 -178.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -77.82 -58.29 3.35 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -171.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 16.7 tpt -96.63 -39.8 9.32 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.835 0.35 . . . . 0.0 111.323 -173.132 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.533 ' HB ' ' O ' ' A' ' 37' ' ' ARG . 48.8 mm -73.92 103.84 2.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 121.28 0.562 . . . . 0.0 110.948 -176.64 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.7 m -75.76 -30.22 59.08 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.831 177.16 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 46.9 p90 -161.07 156.51 24.67 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.227 -0.897 . . . . 0.0 108.981 178.174 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 51.4 mtpt -53.36 116.27 2.35 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 123.427 0.454 . . . . 0.0 109.802 176.096 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.429 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 45.0 mt-10 -60.53 -10.47 5.11 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 -168.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -67.52 -20.89 65.49 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.175 0.512 . . . . 0.0 109.758 173.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.39 -11.27 68.44 Favored Glycine 0 N--CA 1.448 -0.54 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.748 176.098 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 31.7 t70 57.08 73.48 0.46 Allowed 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.938 0.875 . . . . 0.0 109.367 -174.304 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.493 HG21 ' O ' ' A' ' 2' ' ' ALA . 2.3 m -107.76 104.51 17.19 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 114.81 -1.086 . . . . 0.0 111.308 -171.156 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 29.7 t60 -134.87 96.4 3.52 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.412 -177.437 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 26.0 m -121.33 143.03 35.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 120.819 0.342 . . . . 0.0 111.159 -176.134 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.431 HD22 ' N ' ' A' ' 52' ' ' LEU . 0.9 OUTLIER -101.61 123.67 46.0 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 174.589 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 12.3 t -141.21 -179.94 6.4 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 121.111 0.481 . . . . 0.0 111.031 -172.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 11.1 mt -86.34 114.68 26.23 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.514 -178.22 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.506 ' HB3' ' HB2' ' A' ' 7' ' ' CYS . 8.5 p -79.63 -179.62 6.98 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 176.008 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.473 ' O ' ' HG2' ' A' ' 60' ' ' GLU . 41.8 mt-10 -58.0 -48.04 81.22 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.949 0.405 . . . . 0.0 110.304 177.722 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -64.67 -32.66 74.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.843 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.46 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 14.1 m -61.89 -54.8 36.99 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.065 0.46 . . . . 0.0 110.19 175.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.09 -35.56 67.14 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.583 179.577 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.473 ' HG2' ' O ' ' A' ' 56' ' ' GLU . 13.7 mm-40 -67.67 -45.81 74.15 Favored 'General case' 0 N--CA 1.437 -1.119 0 CA-C-O 120.933 0.397 . . . . 0.0 112.015 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.542 ' HA ' ' HA ' ' A' ' 65' ' ' ASN . . . -63.72 -30.47 71.57 Favored 'General case' 0 CA--C 1.509 -0.597 0 CA-C-O 122.339 1.066 . . . . 0.0 108.376 177.725 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.46 ' HB2' ' O ' ' A' ' 58' ' ' CYS . 0.4 OUTLIER -73.21 -59.54 2.66 Favored 'General case' 0 N--CA 1.43 -1.446 0 CA-C-N 113.132 -1.849 . . . . 0.0 112.25 -175.448 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -72.48 -43.02 64.24 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.355 -174.018 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.556 ' C ' ' HD2' ' A' ' 66' ' ' PRO . 82.4 mtm180 -112.54 -69.19 0.88 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.384 -176.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.542 ' HA ' ' HA ' ' A' ' 61' ' ' ALA . 0.2 OUTLIER 103.31 -61.57 0.0 OUTLIER Pre-proline 0 N--CA 1.483 1.196 0 C-N-CA 125.493 1.517 . . . . 0.0 112.49 178.577 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.556 ' HD2' ' C ' ' A' ' 64' ' ' ARG . 45.1 Cg_endo -68.58 -16.85 43.1 Favored 'Trans proline' 0 C--N 1.355 0.921 0 C-N-CA 121.531 1.487 . . . . 0.0 112.133 177.644 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 35.0 m-70 -121.67 113.24 19.46 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.854 178.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 46.4 p90 -146.38 -19.36 0.43 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.637 179.178 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 25.0 t-80 -164.87 77.39 0.31 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.783 0.325 . . . . 0.0 110.554 178.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -82.54 135.48 35.08 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.339 177.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 9.3 p90 -92.21 43.7 1.14 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.093 0.473 . . . . 0.0 111.677 -175.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 34.6 p-80 -149.05 144.44 26.7 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 110.008 -0.368 . . . . 0.0 110.008 178.672 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.6 m . . . . . 0 C--O 1.249 1.062 0 O-C-N 123.604 0.565 . . . . 0.0 110.293 -178.546 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 . . . . . 0 N--CA 1.482 1.133 0 N-CA-C 110.76 -0.089 . . . . 0.0 110.76 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 24.2 m 67.7 113.14 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.249 0 O-C-N 123.688 0.618 . . . . 0.0 110.52 -174.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 70.8 mtp -83.06 144.23 30.05 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.011 0.434 . . . . 0.0 110.454 -178.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.642 ' O ' HG21 ' A' ' 49' ' ' VAL . . . -126.49 -15.53 5.58 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.59 179.667 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.457 ' HA ' ' HB ' ' A' ' 49' ' ' VAL . 6.0 mp -108.54 158.39 17.6 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 -179.321 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.551 ' O ' ' HB ' ' A' ' 51' ' ' VAL . 36.9 m80 -101.95 123.41 45.82 Favored 'General case' 0 CA--C 1.497 -1.065 0 C-N-CA 120.69 -0.404 . . . . 0.0 109.923 -173.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.587 ' CD1' HG21 ' A' ' 53' ' ' THR . 2.8 m-85 -98.54 111.73 23.99 Favored 'General case' 0 C--N 1.302 -1.46 0 CA-C-N 115.109 -0.95 . . . . 0.0 110.516 -176.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.591 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 81.4 m-85 -120.89 127.13 51.59 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 173.291 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.534 ' HA ' ' O ' ' A' ' 53' ' ' THR . 12.2 t -77.82 127.65 32.74 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 113.24 0.829 . . . . 0.0 113.24 -167.16 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.525 HH21 HD11 ' A' ' 54' ' ' ILE . 0.7 OUTLIER -75.26 126.16 30.45 Favored 'General case' 0 N--CA 1.436 -1.164 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 168.717 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.507 ' HB3' ' O ' ' A' ' 8' ' ' ARG . 44.8 t60 109.69 -32.28 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 124.935 1.294 . . . . 0.0 111.597 171.505 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.803 ' SG ' HG12 ' A' ' 12' ' ' VAL . 11.7 p -128.08 -10.6 5.35 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 119.768 -0.773 . . . . 0.0 112.12 179.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 68.17 29.45 73.33 Favored Glycine 0 C--N 1.333 0.377 0 C-N-CA 121.296 -0.478 . . . . 0.0 114.065 174.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.803 HG12 ' SG ' ' A' ' 10' ' ' CYS . 7.7 p -88.37 146.25 6.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.347 0.594 . . . . 0.0 111.648 177.706 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -81.38 104.57 11.92 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.117 174.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.432 HG23 ' HB3' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -96.1 -7.69 9.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.018 0.437 . . . . 0.0 110.516 -179.046 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.509 ' N ' ' HB2' ' A' ' 5' ' ' TYR . . . -157.66 73.17 0.23 Allowed Glycine 0 N--CA 1.445 -0.758 0 C-N-CA 120.808 -0.71 . . . . 0.0 111.961 -179.538 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 53.6 m -126.4 128.94 47.81 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 178.278 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.43 HD23 ' H ' ' A' ' 17' ' ' LEU . 0.9 OUTLIER -114.65 -17.96 11.53 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.282 0.563 . . . . 0.0 110.599 -175.334 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.682 ' HA ' HG22 ' A' ' 22' ' ' VAL . 3.4 mp0 -70.1 144.99 51.92 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.153 -179.172 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 49.6 m 68.4 -44.53 0.51 Allowed 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.732 -174.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 28.0 t -65.33 -40.81 94.15 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.775 0.321 . . . . 0.0 111.018 -178.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 17.0 ptm -145.81 -52.92 0.26 Allowed 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.881 -0.328 . . . . 0.0 111.682 -178.015 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.682 HG22 ' HA ' ' A' ' 18' ' ' GLU . 14.1 t 48.07 65.19 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 CA-C-O 121.386 0.612 . . . . 0.0 110.87 -174.616 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 41.5 m -153.25 65.93 0.77 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.224 0.535 . . . . 0.0 110.464 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.6 p -126.53 162.34 25.89 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.008 178.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -92.85 -18.0 23.38 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 178.289 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.6 t -92.83 151.6 19.9 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 114.84 -1.073 . . . . 0.0 109.114 176.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 92.7 mt 69.55 129.43 0.03 OUTLIER 'General case' 0 C--O 1.231 0.092 0 O-C-N 124.022 0.826 . . . . 0.0 111.032 -173.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.476 ' HA2' ' HB2' ' A' ' 35' ' ' GLU . . . -88.55 -14.63 61.3 Favored Glycine 0 N--CA 1.447 -0.615 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.74 178.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 61.27 17.92 8.69 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 123.221 0.609 . . . . 0.0 111.287 179.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.428 ' HA ' ' CG ' ' A' ' 39' ' ' ASP . 2.6 pt20 60.21 -46.16 0.1 Allowed 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 126.316 1.846 . . . . 0.0 113.94 178.165 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.445 ' HA ' ' CG ' ' A' ' 36' ' ' GLU . 23.5 t60 -146.85 87.04 1.67 Allowed 'General case' 0 C--N 1.317 -0.829 0 O-C-N 122.169 -0.332 . . . . 0.0 110.488 -178.337 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.498 ' H ' ' HB2' ' A' ' 36' ' ' GLU . 63.4 tp -130.72 -83.35 0.53 Allowed 'General case' 0 N--CA 1.444 -0.765 0 C-N-CA 121.054 -0.258 . . . . 0.0 111.339 178.465 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.417 HG22 ' N ' ' A' ' 34' ' ' ASN . 83.7 m -150.25 -98.07 0.07 Allowed 'General case' 0 CA--C 1.543 0.682 0 O-C-N 121.885 -0.509 . . . . 0.0 112.352 178.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.417 ' N ' HG22 ' A' ' 33' ' ' THR . 86.2 m-20 -81.01 -34.6 32.8 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-O 121.718 0.771 . . . . 0.0 109.367 -176.232 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.58 ' CD ' ' H ' ' A' ' 35' ' ' GLU . 1.1 pm0 -70.75 -24.09 62.54 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 114.648 -1.16 . . . . 0.0 110.168 176.261 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.498 ' HB2' ' H ' ' A' ' 32' ' ' LEU . 3.6 tm-20 -59.08 -41.03 87.07 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.306 173.542 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 59.8 mtm180 -63.93 -33.58 76.02 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.497 176.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -77.83 -20.48 53.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.454 179.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.428 ' CG ' ' HA ' ' A' ' 30' ' ' GLN . 9.7 t70 -78.46 -16.11 57.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.71 177.495 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 67.4 mtt -64.06 -23.71 67.43 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.693 179.26 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.449 ' C ' ' H ' ' A' ' 43' ' ' TYR . 10.4 tt -119.38 130.01 74.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.895 175.587 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.423 ' HB2' ' O ' ' A' ' 41' ' ' ILE . 38.2 m 71.43 -22.76 0.19 Allowed 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.449 ' H ' ' C ' ' A' ' 41' ' ' ILE . 5.1 p90 42.27 -108.39 0.1 Allowed 'General case' 0 C--O 1.233 0.218 0 C-N-CA 123.916 0.887 . . . . 0.0 111.883 -176.029 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.484 ' HD3' ' HB2' ' A' ' 48' ' ' ASP . 61.4 mttm -87.14 100.93 13.02 Favored 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 176.229 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -57.83 -30.34 65.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.967 -0.56 . . . . 0.0 112.214 -174.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.407 ' C ' ' H ' ' A' ' 48' ' ' ASP . 0.2 OUTLIER -106.3 18.89 21.34 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.188 0.518 . . . . 0.0 109.999 -179.72 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.525 ' O ' ' HB2' ' A' ' 48' ' ' ASP . . . 79.13 -36.56 1.95 Allowed Glycine 0 C--O 1.227 -0.282 0 N-CA-C 111.682 -0.567 . . . . 0.0 111.682 -174.632 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.525 ' HB2' ' O ' ' A' ' 47' ' ' GLY . 27.8 t70 157.67 116.86 0.0 OUTLIER 'General case' 0 CA--C 1.513 -0.464 0 C-N-CA 125.65 1.58 . . . . 0.0 107.69 170.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.642 HG21 ' O ' ' A' ' 2' ' ' ALA . 18.8 m -73.76 91.82 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.901 0 CA-C-O 121.881 0.848 . . . . 0.0 111.284 -175.556 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -119.4 95.98 5.02 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 177.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.551 ' HB ' ' O ' ' A' ' 4' ' ' HIS . 37.2 t -112.64 121.52 65.11 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.154 0 CA-C-N 115.195 -0.911 . . . . 0.0 111.599 -167.693 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.591 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 24.4 mt -97.1 118.97 34.71 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 175.624 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.587 HG21 ' CD1' ' A' ' 5' ' ' TYR . 9.4 t -134.21 -176.83 4.33 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.105 -171.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.525 HD11 HH21 ' A' ' 8' ' ' ARG . 20.6 mt -107.22 123.16 62.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.832 -179.192 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 13.8 p -76.19 164.16 26.36 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 176.306 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 46.3 tt0 -49.11 -47.95 44.87 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 123.381 0.426 . . . . 0.0 111.153 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -60.79 -41.73 96.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.694 -0.685 . . . . 0.0 112.025 -176.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.448 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 97.9 m -72.87 -46.25 53.87 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.918 179.199 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.414 ' HB2' HG22 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -51.58 -36.45 45.45 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 121.067 0.46 . . . . 0.0 110.632 174.334 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -72.33 -44.43 62.67 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.942 -178.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.97 -33.97 76.93 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-O 122.245 1.021 . . . . 0.0 108.611 177.195 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.448 ' HB2' ' O ' ' A' ' 58' ' ' CYS . 0.5 OUTLIER -63.66 -61.78 2.09 Favored 'General case' 0 N--CA 1.435 -1.184 0 CA-C-N 113.334 -1.757 . . . . 0.0 111.532 177.289 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -57.04 -33.54 67.31 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.503 -179.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.421 ' O ' ' HD3' ' A' ' 64' ' ' ARG . 3.4 tmt_? -70.34 -44.7 67.64 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.631 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.537 ' HB2' ' CE2' ' A' ' 68' ' ' TYR . 23.7 m-80 -117.23 111.38 40.36 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-O 120.65 0.262 . . . . 0.0 111.118 -174.195 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.421 ' HA ' ' O ' ' A' ' 69' ' ' HIS . 60.1 Cg_endo -72.73 41.79 0.56 Allowed 'Trans proline' 0 CA--C 1.532 0.409 0 C-N-CA 123.363 2.708 . . . . 0.0 113.223 -177.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 23.1 m-70 -111.72 -41.44 4.05 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 175.284 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.537 ' CE2' ' HB2' ' A' ' 65' ' ' ASN . 0.0 OUTLIER -93.1 -10.08 37.27 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 173.769 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.433 ' HB2' ' HG ' ' A' ' 62' ' ' LEU . 26.1 t-80 -133.78 87.16 2.35 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.221 -0.899 . . . . 0.0 110.62 -177.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -146.32 169.06 19.59 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.526 175.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 25.5 p90 -133.12 136.78 46.02 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.082 177.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 40.7 t-80 62.66 71.99 0.51 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.997 -176.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.7 m . . . . . 0 C--O 1.251 1.149 0 CA-C-O 118.537 -0.744 . . . . 0.0 110.699 179.922 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_