data_6taz_residue ############################ # Computer software used # ############################ 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 6taz _Structure_validation_residue.Date_analyzed 2020-06-26 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 75.9 m95 . . . . . 0 N--CA 1.451 -0.391 0 CA-C-O 121.579 0.704 . . . . 0.0 111.307 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' SER . . . . . 0.458 ' H ' ' HB3' ' B' ' 13' ' ' GLU . 51.8 p -146.45 167.07 14.76 Favored Pre-proline 0 C--N 1.312 -1.029 0 N-CA-C 107.515 -1.291 . . . . 0.0 107.515 174.517 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -53.31 -32.77 62.79 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 121.749 1.633 . . . . 0.0 110.903 174.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 59.9 tt0 -73.6 -44.79 56.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.849 -1.069 . . . . 0.0 110.973 177.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.458 ' HB3' ' H ' ' B' ' 10' ' ' SER . 7.5 tp10 -66.13 -39.44 89.88 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.62 0.248 . . . . 0.0 111.119 -177.33 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -76.72 -21.91 54.61 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.443 -0.503 . . . . 0.0 110.443 178.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.43 -24.39 61.21 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.662 0.744 . . . . 0.0 109.366 169.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.521 ' O ' ' HB3' ' B' ' 19' ' ' GLU . 12.6 t-160 -82.88 -23.59 33.57 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.659 -1.155 . . . . 0.0 109.467 174.557 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.507 ' CD2' ' HB2' ' B' ' 53' ' ' HIS . 38.1 tp -73.69 -46.94 43.27 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 176.126 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . 0.804 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 9.4 ptm180 -67.1 -33.49 75.58 Favored 'General case' 0 N--CA 1.443 -0.785 0 N-CA-C 108.585 -0.895 . . . . 0.0 108.585 173.572 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . 0.521 ' HB3' ' O ' ' B' ' 16' ' ' HIS . 13.1 tp10 -49.87 -56.68 9.55 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.261 0.553 . . . . 0.0 110.481 177.268 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.96 -33.93 76.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.599 -179.221 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -68.23 -49.23 62.11 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 -178.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.804 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 29.3 mt -63.9 -31.41 72.58 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.722 -179.328 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.64 -34.81 53.11 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.766 -178.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 22.7 m-80 -107.67 8.16 28.89 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -174.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 14.9 ptmm? -86.26 -13.2 47.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.38 0.609 . . . . 0.0 109.642 171.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -73.34 -32.87 64.81 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.657 -176.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 4.9 p -75.48 140.58 17.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.65 -0.704 . . . . 0.0 109.451 175.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -106.73 139.36 41.28 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.979 0.419 . . . . 0.0 111.622 -171.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.86 21.36 79.34 Favored Glycine 0 N--CA 1.451 -0.326 0 CA-C-N 115.78 -0.645 . . . . 0.0 112.903 176.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . 0.492 ' HG2' ' N ' ' B' ' 31' ' ' ASP . 0.0 OUTLIER -110.16 163.2 13.84 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 120.536 0.207 . . . . 0.0 110.496 -179.08 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . 0.492 ' N ' ' HG2' ' B' ' 30' ' ' GLN . 9.6 m-20 -80.36 94.96 6.24 Favored 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 173.739 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . 0.441 ' O ' HG13 ' B' ' 36' ' ' ILE . 9.9 p -68.28 -30.73 48.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.406 -176.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 1.1 t -62.81 -53.6 44.72 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.294 -178.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -63.36 -34.67 78.23 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.52 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . 0.556 ' O ' ' HD2' ' B' ' 39' ' ' HIS . . . -55.7 -49.61 72.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.642 0.734 . . . . 0.0 109.564 176.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.441 HG13 ' O ' ' B' ' 32' ' ' VAL . 40.5 mt -67.15 -63.05 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.919 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.992 177.057 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.576 ' CD2' HD12 ' B' ' 50' ' ' ILE . 11.1 mt -41.4 -44.62 2.87 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.002 0.921 . . . . 0.0 113.097 -177.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -86.89 -22.9 25.43 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 -169.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' HIS . . . . . 0.556 ' HD2' ' O ' ' B' ' 35' ' ' ALA . 75.8 m-70 -91.72 -30.05 16.49 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 119.673 -0.811 . . . . 0.0 112.997 -174.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.655 ' HG ' ' O ' ' B' ' 40' ' ' LEU . 2.1 pt? -95.57 81.85 3.58 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 118.834 -1.147 . . . . 0.0 110.521 177.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -84.13 38.83 0.68 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.707 0.765 . . . . 0.0 109.951 -178.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' THR . . . . . 0.4 ' H ' ' C ' ' B' ' 40' ' ' LEU . 7.3 t -91.73 -28.54 17.35 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.814 -1.085 . . . . 0.0 110.274 -177.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 4.4 p -136.18 128.61 17.54 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.656 -175.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -78.24 97.75 1.16 Allowed 'Trans proline' 0 N--CA 1.46 -0.465 0 C-N-CA 122.763 2.309 . . . . 0.0 111.815 176.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' B' ' 45' ' ' ARG . 0.0 OUTLIER -145.76 145.88 31.0 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.079 -177.502 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 11.0 t -69.55 174.38 5.04 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 115.665 -0.698 . . . . 0.0 112.544 -173.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -56.76 -38.83 73.0 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.156 -0.929 . . . . 0.0 111.024 179.364 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.481 ' O ' ' HB2' ' B' ' 52' ' ' HIS . 8.2 tttt -60.45 -25.64 66.15 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.559 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -75.32 -38.28 60.34 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.219 0.452 . . . . 0.0 112.219 -172.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . 0.576 HD12 ' CD2' ' B' ' 37' ' ' LEU . 1.5 mp -63.8 -49.21 82.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 174.659 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . 0.55 HG12 ' CD2' ' B' ' 66' ' ' PHE . 59.4 mt -58.81 -48.2 86.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.217 0.532 . . . . 0.0 110.219 179.227 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' HIS . . . . . 0.481 ' HB2' ' O ' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -52.49 -61.24 2.4 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.936 -1.029 . . . . 0.0 112.134 -176.795 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' HIS . . . . . 0.507 ' HB2' ' CD2' ' B' ' 17' ' ' LEU . 9.8 m-70 -69.08 -24.64 64.17 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.709 0.29 . . . . 0.0 111.602 -171.131 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . 0.542 ' O ' HD22 ' B' ' 59' ' ' LEU . 78.5 mt -76.99 -47.0 21.97 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.778 0.323 . . . . 0.0 111.187 -177.359 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 23.9 m -74.89 -20.75 16.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 C-N-CA 120.236 -0.586 . . . . 0.0 110.019 177.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -79.27 -30.13 42.9 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.752 176.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.503 ' HB2' ' CD2' ' B' ' 59' ' ' LEU . 72.3 mtm -83.53 2.35 37.45 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.652 177.58 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 68.75 21.45 74.93 Favored Glycine 0 N--CA 1.45 -0.425 0 CA-C-N 115.888 -0.596 . . . . 0.0 113.321 173.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . 0.542 HD22 ' O ' ' B' ' 54' ' ' LEU . 1.9 pt? -106.11 -8.5 17.42 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 176.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -118.47 165.75 13.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.383 173.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -83.46 -67.38 0.79 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.989 0.423 . . . . 0.0 112.034 -175.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 47.5 m -157.82 166.52 32.48 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.001 -172.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 55.7 t -61.53 -34.91 63.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.669 0.747 . . . . 0.0 110.19 174.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 5.8 mtmp? -54.86 -49.17 71.79 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.69 -1.141 . . . . 0.0 111.252 -179.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -64.71 -19.72 65.92 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.971 -1.013 . . . . 0.0 111.682 -172.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' PHE . . . . . 0.55 ' CD2' HG12 ' B' ' 51' ' ' ILE . 3.2 m-85 . . . . . 0 C--N 1.32 -0.677 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 -168.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . 0.548 HG22 HE22 ' B' ' 80' ' ' GLN . 0.5 OUTLIER . . . . . 0 N--CA 1.444 -0.737 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -48.01 97.97 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.143 0.902 . . . . 0.0 111.698 -176.009 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 76' ' ' TRP . . . . . 0.445 ' NE1' ' HG3' ' B' ' 117' ' ' LYS . 48.1 m95 -86.39 110.19 19.54 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.955 -175.412 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 77' ' ' THR . . . . . 0.409 ' O ' ' HG3' ' B' ' 81' ' ' GLU . 74.0 p -106.99 167.98 9.52 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.67 176.567 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -55.15 -44.52 83.81 Favored Glycine 0 N--CA 1.454 -0.158 0 C-N-CA 121.211 -0.519 . . . . 0.0 113.016 -177.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -66.42 -40.06 89.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.854 0.359 . . . . 0.0 110.908 179.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 80' ' ' GLN . . . . . 0.548 HE22 HG22 ' B' ' 74' ' ' VAL . 21.8 tt0 -68.27 -39.72 82.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.585 -177.212 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 81' ' ' GLU . . . . . 0.409 ' HG3' ' O ' ' B' ' 77' ' ' THR . 59.8 mt-10 -61.47 -34.06 74.82 Favored 'General case' 0 CA--C 1.518 -0.27 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 175.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 20.3 tp -66.2 -35.34 80.19 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.933 -178.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -54.37 -57.4 11.42 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 122.011 0.91 . . . . 0.0 108.683 176.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 25.5 tp -63.66 -44.33 94.11 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 114.026 -1.443 . . . . 0.0 110.871 -177.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . 0.42 HE21 ' N ' ' B' ' 86' ' ' ARG . 0.0 OUTLIER -57.97 -55.05 39.92 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.049 -177.78 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 86' ' ' ARG . . . . . 0.42 ' N ' HE21 ' B' ' 85' ' ' GLN . 95.3 mtt180 -66.22 -52.89 43.44 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 111.741 0.274 . . . . 0.0 111.741 -176.26 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 6.9 mp -58.33 -41.11 83.88 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 111.628 0.232 . . . . 0.0 111.628 -176.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.689 ' CE1' ' HB3' ' B' ' 123' ' ' LEU . 24.9 t80 -54.01 -49.05 69.75 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.665 178.706 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -80.28 -16.46 54.62 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 120.667 -0.413 . . . . 0.0 111.246 -175.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -87.02 -25.34 24.29 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.227 -178.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 91' ' ' PHE . . . . . 0.42 ' O ' ' HB ' ' B' ' 97' ' ' VAL . 86.3 m-85 -119.81 19.76 12.39 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.979 0.418 . . . . 0.0 110.451 177.485 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 92' ' ' ARG . . . . . 0.474 ' HB2' ' O ' ' B' ' 88' ' ' PHE . 53.6 ttt180 -69.7 -30.64 68.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.328 0.585 . . . . 0.0 109.826 -179.702 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -86.75 37.33 0.75 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.491 177.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 50.5 m -119.88 178.53 4.56 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.18 178.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -77.91 -16.62 58.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.577 -177.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -168.24 99.15 0.43 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 175.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 97' ' ' VAL . . . . . 0.531 ' O ' HG13 ' B' ' 101' ' ' ILE . 2.2 p -68.75 -36.88 76.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.556 -175.205 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 8.1 mp -65.73 -34.07 77.34 Favored 'General case' 0 CA--C 1.518 -0.285 0 C-N-CA 120.903 -0.319 . . . . 0.0 111.464 -179.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 99' ' ' GLY . . . . . 0.634 ' O ' ' HG2' ' B' ' 103' ' ' LYS . . . -54.87 -41.7 77.06 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.676 -0.773 . . . . 0.0 111.328 172.378 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -74.48 -36.52 63.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.677 0.275 . . . . 0.0 110.53 178.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 101' ' ' ILE . . . . . 0.836 ' O ' ' HB ' ' B' ' 105' ' ' ILE . 71.3 mt -56.03 -37.22 47.7 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.454 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.485 -178.614 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 102' ' ' MET . . . . . 0.503 ' HE2' ' O ' ' B' ' 109' ' ' ARG . 49.6 mtt -82.57 -33.41 28.1 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 179.521 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 103' ' ' LYS . . . . . 0.634 ' HG2' ' O ' ' B' ' 99' ' ' GLY . 73.4 mmtt -75.87 -37.14 59.19 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.807 0.337 . . . . 0.0 111.381 -175.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -102.98 18.88 20.6 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.165 -172.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 105' ' ' ILE . . . . . 0.836 ' HB ' ' O ' ' B' ' 101' ' ' ILE . 9.5 tp -104.56 166.92 2.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.925 0.869 . . . . 0.0 112.782 -171.06 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 106' ' ' THR . . . . . 0.538 ' N ' HG13 ' B' ' 105' ' ' ILE . 3.0 m -87.09 -44.52 11.48 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-N 114.068 -1.424 . . . . 0.0 110.925 170.481 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 107' ' ' ALA . . . . . 0.498 ' H ' HG13 ' B' ' 105' ' ' ILE . . . -99.74 129.1 45.83 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -175.078 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 7.9 mmpt? -82.66 103.12 11.94 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.03 177.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 109' ' ' ARG . . . . . 0.503 ' O ' ' HE2' ' B' ' 102' ' ' MET . 43.6 mtm-85 -115.86 177.69 4.58 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.996 -177.667 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 47.7 t -99.59 159.47 15.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.897 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 44.7 mmm-85 -60.87 -50.65 72.57 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.349 178.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -60.78 -33.97 73.77 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 121.351 0.596 . . . . 0.0 110.968 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 113' ' ' ARG . . . . . 0.539 ' HA ' ' CZ ' ' B' ' 113' ' ' ARG . 1.2 tpp180 -70.44 -36.73 74.13 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.713 -179.463 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 94.6 mt -75.63 -45.8 38.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.509 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 115' ' ' VAL . . . . . 0.535 ' O ' HD23 ' B' ' 119' ' ' LEU . 25.6 m -63.31 -37.55 79.78 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.132 0 CA-C-O 120.6 0.238 . . . . 0.0 111.321 -176.754 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -62.92 -40.75 98.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.332 0.587 . . . . 0.0 110.573 176.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . 0.502 ' O ' HD11 ' B' ' 121' ' ' LEU . 2.4 mmtm -72.98 -29.26 62.92 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.76 -177.29 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 16.5 mt -60.86 -49.16 78.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.065 0.459 . . . . 0.0 110.301 174.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 119' ' ' LEU . . . . . 0.535 HD23 ' O ' ' B' ' 115' ' ' VAL . 4.6 mm? -60.17 -35.49 75.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.684 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -70.3 -39.71 74.69 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.265 -178.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 121' ' ' LEU . . . . . 0.502 HD11 ' O ' ' B' ' 117' ' ' LYS . 10.6 mp -72.56 -25.52 61.39 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 121.072 0.463 . . . . 0.0 110.906 175.419 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 83.87 31.17 27.13 Favored Glycine 0 N--CA 1.443 -0.853 0 N-CA-C 111.285 -0.726 . . . . 0.0 111.285 -174.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . 0.689 ' HB3' ' CE1' ' B' ' 88' ' ' PHE . 69.3 mt -78.57 -27.55 45.74 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-O 121.513 0.673 . . . . 0.0 109.237 179.604 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 124' ' ' VAL . . . . . 0.438 HG21 ' CD2' ' B' ' 130' ' ' LEU . 20.1 m -140.69 176.51 4.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 114.723 -1.126 . . . . 0.0 110.042 175.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -113.82 -9.38 13.11 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.72 177.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -164.94 174.6 10.34 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.05 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 127' ' ' ARG . . . . . 0.706 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 0.6 OUTLIER -79.24 -22.31 44.97 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 -177.097 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 128' ' ' ARG . . . . . . . . . . . . . 3.7 ptp180 -71.29 -26.19 62.76 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.202 -0.599 . . . . 0.0 111.665 -174.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -66.07 -26.62 67.57 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 120.903 0.382 . . . . 0.0 110.971 -177.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 130' ' ' LEU . . . . . 0.706 ' HG ' ' O ' ' B' ' 127' ' ' ARG . 0.1 OUTLIER -94.51 1.6 55.7 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.725 -178.412 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 131' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 . . . . . 0 C--N 1.326 -0.419 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.035 178.15 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' TRP . . . . . 0.447 ' CZ2' ' HD3' ' B' ' 45' ' ' ARG . 14.9 m95 . . . . . 0 N--CA 1.452 -0.356 0 CA-C-O 121.165 0.507 . . . . 0.0 111.317 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 15.0 m -79.67 149.19 70.82 Favored Pre-proline 0 C--N 1.32 -0.714 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 170.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo -47.38 -44.8 24.09 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.979 2.453 . . . . 0.0 113.003 -177.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -68.01 -26.02 65.68 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.509 -178.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.411 ' CD ' HG22 ' B' ' 42' ' ' THR . 5.2 tp10 -79.25 -34.51 42.59 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.991 -0.284 . . . . 0.0 110.422 -176.622 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -75.37 -28.61 59.59 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.998 0.428 . . . . 0.0 110.513 175.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.84 -37.4 81.84 Favored 'General case' 0 C--O 1.221 -0.417 0 CA-C-O 121.375 0.607 . . . . 0.0 109.384 171.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.497 ' O ' ' HB3' ' B' ' 19' ' ' GLU . 18.3 t-160 -70.39 -27.31 64.21 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.056 -0.975 . . . . 0.0 110.173 175.486 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.435 HD23 ' HB2' ' B' ' 53' ' ' HIS . 46.9 tp -65.58 -48.91 70.74 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.799 177.258 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . 0.717 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 17.4 ptt180 -73.47 -29.96 62.86 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 175.478 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . 0.497 ' HB3' ' O ' ' B' ' 16' ' ' HIS . 16.4 tp10 -49.19 -49.61 41.91 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.672 0.749 . . . . 0.0 110.096 175.779 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.473 ' HB3' HG12 ' B' ' 36' ' ' ILE . 0.4 OUTLIER -70.47 -37.41 74.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.105 -0.952 . . . . 0.0 111.351 -179.652 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' TYR . . . . . 0.458 ' O ' ' HB3' ' B' ' 25' ' ' LYS . 86.0 t80 -69.54 -47.6 63.15 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-O 120.855 0.359 . . . . 0.0 110.596 -176.548 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.717 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 62.1 mt -60.3 -31.23 70.07 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.526 -178.095 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.5 -41.96 30.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.492 -178.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -107.18 19.32 20.54 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 112.378 0.511 . . . . 0.0 112.378 -171.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.458 ' HB3' ' O ' ' B' ' 21' ' ' TYR . 22.1 pttm -82.73 -13.38 56.43 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.857 0.36 . . . . 0.0 111.496 -177.051 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -103.03 14.43 31.93 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.149 0.499 . . . . 0.0 111.108 -172.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 37.6 t -110.93 108.44 25.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.139 179.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -91.17 155.46 18.59 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.397 178.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.75 7.32 86.06 Favored Glycine 0 N--CA 1.451 -0.336 0 N-CA-C 110.657 -0.977 . . . . 0.0 110.657 -174.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.21 152.89 47.53 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 114.683 -0.758 . . . . 0.0 109.589 -178.03 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -82.23 102.62 11.26 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 172.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . 0.465 ' O ' HG13 ' B' ' 36' ' ' ILE . 9.9 p -57.01 -35.38 47.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.227 0.537 . . . . 0.0 109.846 178.684 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . 0.745 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 0.9 OUTLIER -64.31 -50.24 77.37 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.615 0 CA-C-N 115.298 -0.865 . . . . 0.0 109.546 -179.356 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.541 ' HA ' ' CD1' ' B' ' 37' ' ' LEU . 6.3 tm-20 -65.81 -31.76 72.9 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 114.671 -1.15 . . . . 0.0 110.204 -174.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.51 -47.81 82.89 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.608 0.718 . . . . 0.0 109.96 173.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.506 ' O ' ' HG ' ' B' ' 40' ' ' LEU . 47.1 mt -67.08 -64.44 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.98 -179.148 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.745 ' HG ' ' O ' ' B' ' 33' ' ' VAL . 2.1 pp -66.34 -19.89 65.93 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 -167.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.53 -33.89 17.59 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 120.941 -0.304 . . . . 0.0 111.464 -179.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 -76.37 -29.85 57.33 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.024 -177.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' B' ' 36' ' ' ILE . 0.8 OUTLIER -107.11 80.58 1.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.663 0.744 . . . . 0.0 111.449 175.901 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 24.8 p-10 -88.9 38.15 0.87 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.977 0.894 . . . . 0.0 109.444 176.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' THR . . . . . 0.411 HG22 ' CD ' ' B' ' 13' ' ' GLU . 0.1 OUTLIER -80.09 -25.2 40.12 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.342 -1.299 . . . . 0.0 109.684 177.629 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -127.09 123.71 23.58 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 115.219 -0.901 . . . . 0.0 109.778 178.603 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -79.25 101.29 1.41 Allowed 'Trans proline' 0 C--O 1.226 -0.107 0 C-N-CA 122.802 2.334 . . . . 0.0 111.349 175.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . 0.552 ' HB3' ' HG3' ' B' ' 49' ' ' GLN . 0.0 OUTLIER -137.27 176.05 9.05 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.572 0.701 . . . . 0.0 111.81 -174.124 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 6.5 t -84.3 170.32 13.78 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 114.76 -1.109 . . . . 0.0 109.236 170.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 24.9 mmt180 -72.41 -27.59 62.44 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 -179.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.04 -33.68 67.45 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 114.922 -1.035 . . . . 0.0 111.756 178.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.552 ' HG3' ' HB3' ' B' ' 45' ' ' ARG . 28.9 mm-40 -62.95 -49.2 75.69 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-O 121.432 0.634 . . . . 0.0 110.01 -177.596 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . 0.586 HG13 ' HB3' ' B' ' 37' ' ' LEU . 7.8 mm -60.49 -55.09 26.7 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.899 0 CA-C-N 114.398 -1.274 . . . . 0.0 110.856 -172.653 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 64.1 mt -56.48 -48.36 80.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 114.752 -1.113 . . . . 0.0 110.578 -178.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -64.86 -51.29 62.86 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 115.059 -0.973 . . . . 0.0 111.99 -173.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' HIS . . . . . 0.435 ' HB2' HD23 ' B' ' 17' ' ' LEU . 7.7 m-70 -61.25 -24.55 66.46 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 120.811 0.338 . . . . 0.0 111.391 -176.033 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . 0.402 HD21 HD11 ' B' ' 59' ' ' LEU . 35.7 mt -83.78 -50.28 8.27 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.988 -177.606 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 19.6 m -69.6 -32.88 54.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 120.956 0.408 . . . . 0.0 110.412 179.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -70.63 -26.54 63.52 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.745 177.012 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 6.6 ttp -78.96 0.24 28.33 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.297 0.57 . . . . 0.0 110.71 179.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 73.4 13.49 79.88 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.916 -0.659 . . . . 0.0 113.045 173.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . 0.402 HD11 HD21 ' B' ' 54' ' ' LEU . 4.4 pp -97.26 -21.36 17.31 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.236 0.541 . . . . 0.0 109.735 175.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -121.95 168.43 11.92 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.234 176.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -80.31 -67.75 0.74 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.263 -0.426 . . . . 0.0 112.088 -175.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 61.6 m -164.81 178.41 7.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.725 -170.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 54.3 t -57.81 -28.85 33.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 121.698 0.761 . . . . 0.0 109.385 171.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 31.2 mtmm -61.81 -19.18 62.26 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 114.738 -1.119 . . . . 0.0 111.289 176.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -90.02 -20.91 22.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.949 0.404 . . . . 0.0 110.876 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 . . . . . 0 C--N 1.329 -0.299 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 -173.983 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . 0.447 ' CG2' ' HD3' ' B' ' 113' ' ' ARG . 44.4 t . . . . . 0 N--CA 1.44 -0.934 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.17 80.29 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 121.547 0.689 . . . . 0.0 111.384 -179.254 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 76' ' ' TRP . . . . . 0.505 ' HA ' ' NE2' ' B' ' 80' ' ' GLN . 85.6 m95 -85.03 109.15 18.0 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.937 -175.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 17.9 p -104.85 172.34 6.84 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.262 173.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -53.73 -36.63 55.3 Favored Glycine 0 CA--C 1.518 0.223 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.456 -179.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . 0.598 ' O ' ' HG3' ' B' ' 83' ' ' GLU . 6.9 p-10 -72.66 -40.91 65.95 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.875 -0.163 . . . . 0.0 111.305 178.129 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 80' ' ' GLN . . . . . 0.505 ' NE2' ' HA ' ' B' ' 76' ' ' TRP . 0.1 OUTLIER -65.73 -39.4 91.1 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 120.926 0.393 . . . . 0.0 110.525 -178.388 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -64.64 -34.88 79.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.805 176.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -68.13 -41.8 81.13 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.609 179.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . 0.598 ' HG3' ' O ' ' B' ' 79' ' ' ASP . 67.2 mt-10 -53.47 -59.31 4.74 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-O 121.771 0.796 . . . . 0.0 110.666 179.114 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.04 -32.69 67.35 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 114.712 -1.131 . . . . 0.0 111.144 -171.758 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . 0.453 ' O ' ' HG3' ' B' ' 89' ' ' GLU . 0.0 OUTLIER -57.12 -49.81 74.76 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.771 0.319 . . . . 0.0 110.461 178.898 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 78.3 mtm180 -66.91 -47.69 70.97 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.246 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 5.7 tp -62.5 -39.24 92.86 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.289 -174.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.465 ' O ' ' HB2' ' B' ' 92' ' ' ARG . 2.8 t80 -58.8 -44.93 90.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.065 178.729 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . 0.453 ' HG3' ' O ' ' B' ' 85' ' ' GLN . 35.7 mt-10 -68.12 -31.04 70.35 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.253 0.549 . . . . 0.0 110.52 179.117 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -70.87 -35.2 72.26 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.302 -174.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -112.56 15.06 20.22 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.729 0.3 . . . . 0.0 111.05 -178.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 92' ' ' ARG . . . . . 0.465 ' HB2' ' O ' ' B' ' 88' ' ' PHE . 70.0 ttt180 -68.09 -31.75 71.59 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.524 -175.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -92.85 24.73 3.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.32 0.581 . . . . 0.0 110.618 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 9.6 t -103.28 -176.43 3.08 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 177.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -82.53 -20.64 36.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.947 0.403 . . . . 0.0 110.385 -178.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -152.76 108.66 3.34 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.669 173.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 97' ' ' VAL . . . . . 0.521 ' O ' HG13 ' B' ' 101' ' ' ILE . 2.5 p -75.69 -42.5 41.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.855 -0.612 . . . . 0.0 111.657 -176.177 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 8.7 mp -76.57 -31.15 57.36 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -172.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -63.7 -32.29 83.65 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.485 -0.864 . . . . 0.0 111.515 174.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -82.63 -29.99 29.71 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 101' ' ' ILE . . . . . 0.521 HG13 ' O ' ' B' ' 97' ' ' VAL . 51.6 mt -59.39 -55.19 25.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.055 174.091 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 102' ' ' MET . . . . . 0.412 ' O ' ' HE2' ' B' ' 108' ' ' LYS . 38.7 mtt -55.22 -44.09 75.09 Favored 'General case' 0 C--N 1.331 -0.228 0 O-C-N 123.354 0.409 . . . . 0.0 112.077 -177.695 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -72.35 -24.13 61.24 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -177.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -112.46 18.61 18.31 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.05 0.453 . . . . 0.0 111.426 -175.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 105' ' ' ILE . . . . . 0.465 HG13 ' N ' ' B' ' 106' ' ' THR . 11.2 tp -118.72 162.2 17.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.289 0.566 . . . . 0.0 111.135 -179.264 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 106' ' ' THR . . . . . 0.465 ' N ' HG13 ' B' ' 105' ' ' ILE . 9.3 t -81.71 -35.78 29.41 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.493 -176.687 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 107' ' ' ALA . . . . . 0.478 ' HB2' ' NH1' ' B' ' 109' ' ' ARG . . . -110.61 128.33 55.63 Favored 'General case' 0 CA--C 1.514 -0.442 0 C-N-CA 121.202 -0.199 . . . . 0.0 110.493 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 108' ' ' LYS . . . . . 0.412 ' HE2' ' O ' ' B' ' 102' ' ' MET . 1.0 OUTLIER -83.19 101.78 11.44 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 175.33 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 109' ' ' ARG . . . . . 0.478 ' NH1' ' HB2' ' B' ' 107' ' ' ALA . 8.4 ptt-85 -118.46 144.02 46.29 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.14 -178.408 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 110' ' ' SER . . . . . 0.453 ' O ' HG13 ' B' ' 114' ' ' ILE . 34.2 t -64.62 148.43 50.92 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.221 -171.227 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -66.86 -38.55 86.56 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.398 -176.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -60.83 -29.62 69.6 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.46 0.648 . . . . 0.0 109.862 176.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 113' ' ' ARG . . . . . 0.447 ' HD3' ' CG2' ' B' ' 74' ' ' VAL . 33.5 mtt180 -77.39 -42.48 36.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.209 176.129 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 114' ' ' ILE . . . . . 0.453 HG13 ' O ' ' B' ' 110' ' ' SER . 92.3 mt -60.77 -55.04 27.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.487 -0.778 . . . . 0.0 111.124 -178.713 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 115' ' ' VAL . . . . . 0.589 ' O ' HD23 ' B' ' 119' ' ' LEU . 20.0 m -62.36 -35.1 67.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.641 -177.372 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -66.13 -35.11 79.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.263 0.554 . . . . 0.0 110.428 177.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.27 -39.62 78.29 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.361 177.183 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . 0.415 HD21 ' CD1' ' B' ' 88' ' ' PHE . 5.4 mp -54.21 -45.91 72.34 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 121.239 0.543 . . . . 0.0 110.785 175.628 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 119' ' ' LEU . . . . . 0.589 HD23 ' O ' ' B' ' 115' ' ' VAL . 4.1 mm? -64.24 -28.61 69.85 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.012 -0.994 . . . . 0.0 111.102 -179.776 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -84.29 -33.05 24.06 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.69 -177.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 96.0 mt -74.74 -24.75 58.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.268 176.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 82.39 34.0 24.14 Favored Glycine 0 N--CA 1.441 -0.987 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.464 -176.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 87.0 mt -80.09 -28.17 39.13 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-O 121.548 0.69 . . . . 0.0 109.241 178.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 124' ' ' VAL . . . . . 0.518 HG22 ' CD2' ' B' ' 130' ' ' LEU . 19.2 m -145.96 174.14 2.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 114.516 -1.22 . . . . 0.0 109.215 178.3 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -110.05 -8.07 14.86 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 121.13 0.49 . . . . 0.0 110.406 177.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 126' ' ' GLU . . . . . 0.546 ' CD ' ' HB3' ' B' ' 128' ' ' ARG . 17.2 pt-20 -162.73 172.56 15.08 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.153 -178.743 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 127' ' ' ARG . . . . . 0.74 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 12.0 mpt_? -76.08 -22.33 55.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.748 0.309 . . . . 0.0 111.229 178.641 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 128' ' ' ARG . . . . . 0.546 ' HB3' ' CD ' ' B' ' 126' ' ' GLU . 26.7 ttt-85 -59.51 -33.95 72.0 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -179.304 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -71.91 -9.29 58.14 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -175.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 130' ' ' LEU . . . . . 0.74 ' HG ' ' O ' ' B' ' 127' ' ' ARG . 0.1 OUTLIER -111.42 8.08 21.08 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.063 0.459 . . . . 0.0 110.948 179.022 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 131' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 . . . . . 0 C--N 1.326 -0.437 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 172.881 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' TRP . . . . . 0.484 ' CH2' HD12 ' B' ' 17' ' ' LEU . 52.4 m95 . . . . . 0 CA--C 1.519 -0.242 0 CA-C-O 121.156 0.503 . . . . 0.0 111.874 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' SER . . . . . 0.53 ' OG ' ' HB2' ' B' ' 13' ' ' GLU . 16.3 p -87.24 160.97 47.57 Favored Pre-proline 0 C--N 1.32 -0.698 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.645 173.69 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_exo -53.46 -39.94 80.29 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.778 2.319 . . . . 0.0 112.802 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -76.38 -15.71 59.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.019 -179.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.53 ' HB2' ' OG ' ' B' ' 10' ' ' SER . 24.2 tt0 -84.85 -49.71 8.17 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.074 -175.706 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . 0.47 ' O ' ' HB3' ' B' ' 17' ' ' LEU . 45.7 mt-10 -58.83 -37.21 75.93 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.371 177.451 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.13 -40.64 82.43 Favored 'General case' 0 C--O 1.216 -0.687 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.899 178.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.416 ' HA ' ' HB3' ' B' ' 19' ' ' GLU . 5.8 t-160 -64.98 -31.59 72.91 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 178.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.484 HD12 ' CH2' ' B' ' 9' ' ' TRP . 30.7 tp -57.26 -56.13 25.79 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.005 177.03 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . 0.753 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 12.4 ptt180 -74.02 -31.14 62.79 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.93 178.51 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . 0.416 ' HB3' ' HA ' ' B' ' 16' ' ' HIS . 12.2 tp10 -51.37 -48.94 62.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.687 0.756 . . . . 0.0 110.207 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.484 HD13 ' HA ' ' B' ' 36' ' ' ILE . 0.7 OUTLIER -75.08 -28.38 60.28 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.706 -1.134 . . . . 0.0 111.274 -178.434 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -69.73 -50.13 46.47 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.133 0.492 . . . . 0.0 109.873 178.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.753 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 34.7 mt -64.33 -23.46 67.3 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.66 -176.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.07 -35.46 56.59 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.923 178.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -116.95 13.41 14.9 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -171.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -73.01 -13.74 61.29 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.812 0.339 . . . . 0.0 111.496 -178.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -118.38 9.02 12.29 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.037 0.446 . . . . 0.0 110.302 178.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 63.0 t -100.08 108.72 23.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.452 -178.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -99.1 157.59 16.25 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.124 178.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.07 -0.79 69.55 Favored Glycine 0 N--CA 1.451 -0.339 0 N-CA-C 110.29 -1.124 . . . . 0.0 110.29 -172.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . 0.55 ' NE2' ' HB1' ' B' ' 35' ' ' ALA . 6.7 tt0 -147.04 143.94 28.74 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.075 -1.063 . . . . 0.0 108.294 177.662 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -75.3 126.63 31.42 Favored 'General case' 0 C--N 1.317 -0.809 0 C-N-CA 120.335 -0.546 . . . . 0.0 109.8 174.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . 0.525 ' O ' HG13 ' B' ' 36' ' ' ILE . 9.8 p -60.48 -36.59 70.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 173.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . 0.787 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 1.6 t -58.81 -59.59 3.52 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 CA-C-N 115.262 -0.881 . . . . 0.0 109.768 177.347 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -54.54 -38.28 66.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.261 -0.882 . . . . 0.0 110.912 -177.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . 0.55 ' HB1' ' NE2' ' B' ' 30' ' ' GLN . . . -58.01 -49.79 75.63 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.151 0.501 . . . . 0.0 110.459 177.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.57 ' O ' ' HG ' ' B' ' 40' ' ' LEU . 39.6 mt -67.42 -53.75 29.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.588 -179.511 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.787 ' HG ' ' O ' ' B' ' 33' ' ' VAL . 14.8 mt -51.4 -40.53 59.46 Favored 'General case' 0 N--CA 1.468 0.442 0 O-C-N 123.624 0.578 . . . . 0.0 111.2 -176.201 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -89.38 -44.69 10.02 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 113.45 0.907 . . . . 0.0 113.45 -171.118 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -75.66 -11.48 60.01 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.581 0.585 . . . . 0.0 112.581 -168.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' B' ' 36' ' ' ILE . 0.8 OUTLIER -104.16 80.64 1.74 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 122.081 0.943 . . . . 0.0 110.183 169.651 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 28.5 p-10 -83.0 42.04 0.78 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.241 -0.891 . . . . 0.0 110.323 -178.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 11.9 t -104.41 1.2 29.85 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.512 -177.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . 0.836 HG23 ' CZ ' ' B' ' 45' ' ' ARG . 7.2 p -157.22 129.96 4.34 Favored Pre-proline 0 N--CA 1.449 -0.477 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 -171.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -85.78 89.85 0.74 Allowed 'Trans proline' 0 N--CA 1.454 -0.809 0 C-N-CA 122.816 2.344 . . . . 0.0 111.446 166.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . 0.836 ' CZ ' HG23 ' B' ' 43' ' ' VAL . 0.6 OUTLIER -132.22 160.63 35.59 Favored 'General case' 0 CA--C 1.512 -0.504 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 177.39 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 5.1 t -69.4 148.84 49.07 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 177.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . 0.442 ' HD2' ' HB3' ' B' ' 37' ' ' LEU . 13.4 mmt180 -61.37 -24.93 66.82 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.334 0.588 . . . . 0.0 110.415 -176.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -59.88 -33.63 72.08 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.792 -1.095 . . . . 0.0 111.421 179.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -64.79 -49.81 69.23 Favored 'General case' 0 CA--C 1.52 -0.191 0 C-N-CA 121.025 -0.27 . . . . 0.0 111.039 -177.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 2.0 mp -53.33 -52.84 27.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 O-C-N 123.313 0.383 . . . . 0.0 110.867 -178.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . 0.534 HG22 ' CG ' ' B' ' 66' ' ' PHE . 82.6 mt -54.91 -49.62 68.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.378 0.609 . . . . 0.0 111.124 179.267 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -60.3 -43.81 95.98 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.96 -176.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 51.1 m-70 -72.0 -25.09 61.69 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.904 -0.318 . . . . 0.0 111.362 -175.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . 0.414 ' CD2' HD12 ' B' ' 59' ' ' LEU . 51.1 mt -71.46 -52.64 17.34 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.946 0.879 . . . . 0.0 110.016 176.363 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . 0.468 ' HA ' ' HB1' ' B' ' 60' ' ' ALA . 2.4 t -65.44 -35.04 74.36 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.214 0 CA-C-N 114.275 -1.33 . . . . 0.0 110.562 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -73.16 -19.3 61.15 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.685 177.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.514 ' SD ' ' HD3' ' B' ' 18' ' ' ARG . 31.5 ttm -88.0 -1.53 58.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.078 0.466 . . . . 0.0 110.609 -178.037 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 85.11 -2.91 88.0 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 121.043 -0.599 . . . . 0.0 112.798 177.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . 0.414 HD12 ' CD2' ' B' ' 54' ' ' LEU . 4.3 pp -89.8 -10.61 44.81 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.391 0.615 . . . . 0.0 110.213 -179.595 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . 0.468 ' HB1' ' HA ' ' B' ' 55' ' ' VAL . . . -134.02 154.6 51.03 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.313 174.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -82.34 -57.0 3.56 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -174.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 21.2 t -163.71 167.41 21.07 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.781 0.324 . . . . 0.0 110.738 -176.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 61.7 t -64.56 -17.08 20.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.566 175.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 12.0 pttm -54.69 -36.29 64.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 122.109 0.957 . . . . 0.0 110.677 177.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -86.59 -16.56 36.41 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 113.804 -1.544 . . . . 0.0 110.182 -172.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' PHE . . . . . 0.534 ' CG ' HG22 ' B' ' 51' ' ' ILE . 37.8 m-85 . . . . . 0 C--N 1.326 -0.454 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.811 -178.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . 0.464 ' HB ' HH11 ' B' ' 113' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.447 -0.621 0 N-CA-C 107.899 -1.149 . . . . 0.0 107.899 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . 0.471 ' O ' ' HG ' ' B' ' 75' ' ' LEU . 0.6 OUTLIER -48.22 102.78 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.615 0.721 . . . . 0.0 112.047 -171.072 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 76' ' ' TRP . . . . . . . . . . . . . 60.1 m95 -97.42 115.74 28.31 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.486 -176.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 43.4 p -102.53 172.43 6.87 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.32 -0.855 . . . . 0.0 108.999 171.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -64.11 -30.93 79.16 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.486 -0.864 . . . . 0.0 111.6 176.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -76.1 -46.2 30.13 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.775 -0.212 . . . . 0.0 111.127 -178.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -68.45 -25.14 64.86 Favored 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 120.347 -0.541 . . . . 0.0 109.614 178.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -61.34 -47.55 85.37 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.64 174.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 24.7 tp -64.4 -41.04 96.86 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.511 177.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . 0.424 ' CD ' HD12 ' B' ' 105' ' ' ILE . 0.7 OUTLIER -53.64 -55.71 23.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.243 177.215 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . 0.423 HD22 ' NH2' ' B' ' 109' ' ' ARG . 3.1 tm? -62.68 -39.36 93.71 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.07 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -57.77 -55.52 33.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.809 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 23.2 mtp180 -66.39 -45.81 78.77 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.688 0.28 . . . . 0.0 111.613 -179.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 8.3 tp -60.04 -44.18 94.83 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.622 -175.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.597 ' O ' ' HG3' ' B' ' 92' ' ' ARG . 6.6 t80 -52.25 -51.15 60.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.019 177.368 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -60.88 -46.29 91.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.052 0.453 . . . . 0.0 111.191 -179.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -70.89 -19.96 62.55 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.419 -171.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -107.1 6.47 28.91 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 177.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 92' ' ' ARG . . . . . 0.597 ' HG3' ' O ' ' B' ' 88' ' ' PHE . 53.0 mtm180 -68.04 -19.05 64.85 Favored 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 169.493 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -80.97 -1.26 43.02 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 113.723 -1.581 . . . . 0.0 110.647 -178.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 27.2 m -104.85 -175.56 2.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.793 -179.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -81.35 -21.35 39.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.078 0.466 . . . . 0.0 111.119 -178.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -154.01 108.33 3.04 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 175.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 97' ' ' VAL . . . . . 0.677 ' O ' HG13 ' B' ' 101' ' ' ILE . 1.3 p -62.72 -43.33 98.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.23 -177.235 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 8.4 mp -76.93 -36.86 56.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.633 0.254 . . . . 0.0 111.202 -176.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 99' ' ' GLY . . . . . 0.616 ' O ' ' HD3' ' B' ' 103' ' ' LYS . . . -61.47 -33.07 83.41 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.743 -0.741 . . . . 0.0 111.296 175.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -84.78 -26.31 27.62 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 178.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 101' ' ' ILE . . . . . 0.677 HG13 ' O ' ' B' ' 97' ' ' VAL . 39.7 mt -58.76 -55.07 25.47 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.303 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 172.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 26.5 mtt -56.68 -50.3 72.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.107 -0.497 . . . . 0.0 112.134 -177.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 103' ' ' LYS . . . . . 0.616 ' HD3' ' O ' ' B' ' 99' ' ' GLY . 0.8 OUTLIER -70.07 -18.76 63.29 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.629 -173.9 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 46.9 m-80 -117.48 15.64 14.68 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.884 -179.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 105' ' ' ILE . . . . . 0.545 HG13 ' H ' ' B' ' 107' ' ' ALA . 9.0 tp -110.45 159.29 10.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.423 0.63 . . . . 0.0 111.539 -177.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 2.0 t -94.24 -19.18 20.96 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.859 -1.064 . . . . 0.0 110.346 -179.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 107' ' ' ALA . . . . . 0.545 ' H ' HG13 ' B' ' 105' ' ' ILE . . . -92.24 144.52 25.32 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.719 -176.766 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 7.5 mmpt? -80.12 100.79 8.4 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 169.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 109' ' ' ARG . . . . . 0.423 ' NH2' HD22 ' B' ' 84' ' ' LEU . 5.4 ttp180 -130.83 121.25 24.97 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.597 -0.728 . . . . 0.0 109.69 -173.031 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 99.1 p -94.22 164.53 13.01 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.371 -176.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 111' ' ' ARG . . . . . 0.5 ' O ' HG12 ' B' ' 115' ' ' VAL . 21.8 mmm-85 -56.54 -48.99 76.1 Favored 'General case' 0 N--CA 1.464 0.23 0 O-C-N 123.333 0.395 . . . . 0.0 111.471 -172.186 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -58.93 -36.88 75.49 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 -174.138 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 113' ' ' ARG . . . . . 0.464 HH11 ' HB ' ' B' ' 74' ' ' VAL . 11.0 ptt180 -86.87 -20.19 27.81 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.488 -0.485 . . . . 0.0 111.559 -177.163 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 88.4 mt -74.62 -45.41 45.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.07 0.462 . . . . 0.0 109.982 174.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 115' ' ' VAL . . . . . 0.517 ' O ' HD23 ' B' ' 119' ' ' LEU . 15.0 m -66.64 -34.54 70.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.799 -178.014 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -66.85 -31.08 71.46 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.231 -0.441 . . . . 0.0 109.921 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 53.6 tptt -70.48 -40.98 73.32 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.88 177.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 21.1 mt -57.23 -48.59 78.43 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-O 121.35 0.595 . . . . 0.0 110.477 178.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 119' ' ' LEU . . . . . 0.517 HD23 ' O ' ' B' ' 115' ' ' VAL . 4.4 mm? -61.33 -30.87 70.77 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.684 -1.144 . . . . 0.0 110.839 -178.615 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -72.31 -39.53 68.17 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.76 -179.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 10.2 mp -75.5 -25.28 57.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.946 175.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 84.42 31.65 24.41 Favored Glycine 0 N--CA 1.444 -0.797 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.438 -174.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . 0.498 HD11 ' CD2' ' B' ' 88' ' ' PHE . 92.9 mt -76.72 -28.82 55.97 Favored 'General case' 0 CA--C 1.512 -0.493 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 179.588 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 124' ' ' VAL . . . . . 0.607 HG23 ' CD2' ' B' ' 130' ' ' LEU . 20.3 m -144.16 171.89 6.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 114.373 -1.285 . . . . 0.0 109.704 175.147 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -112.78 -11.06 13.54 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.938 179.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -153.9 167.03 31.09 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.159 -179.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 127' ' ' ARG . . . . . 0.736 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 1.2 mpp_? -80.02 -26.52 39.78 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -175.504 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 128' ' ' ARG . . . . . . . . . . . . . 15.1 ttp180 -60.47 -38.95 85.84 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 -176.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -70.74 -7.27 43.65 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 -170.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 130' ' ' LEU . . . . . 0.736 ' HG ' ' O ' ' B' ' 127' ' ' ARG . 0.0 OUTLIER -104.49 16.11 26.77 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.158 0.504 . . . . 0.0 110.642 177.948 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 131' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 . . . . . 0 C--N 1.325 -0.496 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 173.764 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 93.1 m95 . . . . . 0 CA--C 1.516 -0.351 0 CA-C-O 121.24 0.543 . . . . 0.0 110.756 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 34.8 p -138.74 151.42 68.57 Favored Pre-proline 0 C--N 1.317 -0.809 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 175.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -42.02 -42.7 7.07 Favored 'Trans proline' 0 CA--C 1.531 0.369 0 C-N-CA 123.388 2.726 . . . . 0.0 113.471 178.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' B' ' 13' ' ' GLU . 8.8 pt-20 -66.35 -41.89 88.86 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.277 -179.728 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.401 ' N ' ' HG3' ' B' ' 12' ' ' GLU . 8.9 tp10 -77.45 -31.78 54.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.801 0.334 . . . . 0.0 110.589 -176.251 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -67.48 -37.4 82.84 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.021 0.438 . . . . 0.0 110.004 176.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.28 -28.88 69.64 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.033 174.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.497 ' HA ' ' CB ' ' B' ' 19' ' ' GLU . 11.9 t-160 -77.99 -29.36 49.58 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.387 177.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.421 HD13 HG23 ' B' ' 50' ' ' ILE . 38.9 tp -63.22 -47.67 81.53 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 176.4 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . 0.741 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 13.4 ptt180 -77.79 -24.86 48.74 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.698 176.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . 0.497 ' CB ' ' HA ' ' B' ' 16' ' ' HIS . 10.2 tp10 -52.45 -53.09 50.11 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.664 0.745 . . . . 0.0 109.98 177.678 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.432 HD12 ' HA ' ' B' ' 36' ' ' ILE . 0.3 OUTLIER -71.73 -29.0 64.06 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.965 -1.016 . . . . 0.0 111.044 -178.933 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' TYR . . . . . 0.405 ' CD2' HD11 ' B' ' 59' ' ' LEU . 90.7 t80 -67.6 -54.25 21.33 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-O 121.292 0.568 . . . . 0.0 109.559 178.379 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.741 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 39.4 mt -62.17 -24.52 67.23 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.067 -0.969 . . . . 0.0 110.854 -177.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.19 -27.63 42.61 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -178.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 49.4 m-80 -124.0 12.13 8.99 Favored 'General case' 0 N--CA 1.461 0.121 0 N-CA-C 112.289 0.477 . . . . 0.0 112.289 -175.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 13.3 ptmm? -79.16 -14.51 59.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.022 0.439 . . . . 0.0 110.838 -179.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -99.52 6.69 45.8 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.542 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 42.6 t -102.56 107.65 22.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -80.7 142.65 33.68 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.324 -178.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.88 21.51 63.27 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.714 -0.755 . . . . 0.0 111.856 -178.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . 0.533 ' OE1' ' HB3' ' B' ' 35' ' ' ALA . 0.9 OUTLIER -138.48 132.04 30.63 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 178.026 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -73.02 95.12 1.97 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.213 178.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . 0.5 ' O ' HG13 ' B' ' 36' ' ' ILE . 9.4 p -56.69 -30.84 33.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 109.452 -0.574 . . . . 0.0 109.452 177.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . 0.666 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 3.3 t -54.37 -59.43 2.17 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 CA-C-N 115.087 -0.961 . . . . 0.0 109.952 177.168 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.516 ' HA ' ' CD1' ' B' ' 37' ' ' LEU . 45.1 mt-10 -72.46 -27.51 62.35 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.695 -178.587 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . 0.533 ' HB3' ' OE1' ' B' ' 30' ' ' GLN . . . -53.82 -45.43 70.84 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.42 0.629 . . . . 0.0 109.384 173.014 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.56 ' O ' ' HG ' ' B' ' 40' ' ' LEU . 48.5 mt -73.2 -64.96 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.794 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.863 -178.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.666 ' HG ' ' O ' ' B' ' 33' ' ' VAL . 3.0 pp -65.5 -20.32 66.3 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 -169.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -89.77 -27.48 19.99 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 178.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 19.4 m-70 -87.48 -29.69 21.2 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.393 -0.523 . . . . 0.0 112.214 -176.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.56 ' HG ' ' O ' ' B' ' 36' ' ' ILE . 0.6 OUTLIER -97.35 87.83 4.25 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 119.731 -0.788 . . . . 0.0 111.845 179.301 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -83.96 40.39 0.75 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.899 0.856 . . . . 0.0 109.187 178.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' THR . . . . . 0.465 HG23 ' HB2' ' B' ' 40' ' ' LEU . 4.7 t -97.64 -12.57 22.28 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.315 177.508 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 4.1 m -144.13 112.7 5.23 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.262 -177.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -71.07 94.69 0.65 Allowed 'Trans proline' 0 C--O 1.233 0.273 0 C-N-CA 122.285 1.99 . . . . 0.0 111.082 173.194 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 91.3 mtt-85 -133.96 177.57 7.63 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-O 121.165 0.507 . . . . 0.0 112.262 -171.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 12.6 t -108.29 166.53 10.69 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.345 -178.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 9.9 mpt_? -54.95 -54.53 41.64 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 120.773 0.321 . . . . 0.0 111.372 -177.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 24.8 ttpt -51.17 -32.52 23.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.694 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -69.34 -54.87 12.36 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.801 -172.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . 0.421 HG23 HD13 ' B' ' 17' ' ' LEU . 1.7 mp -59.82 -48.98 85.58 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 CA-C-O 120.603 0.239 . . . . 0.0 110.412 178.706 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . 0.486 HG22 ' CG ' ' B' ' 66' ' ' PHE . 78.6 mt -52.96 -48.17 52.18 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.142 -178.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -59.33 -43.13 92.75 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.321 -0.854 . . . . 0.0 112.537 -174.176 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' HIS . . . . . 0.516 ' O ' ' HB2' ' B' ' 57' ' ' MET . 9.6 m-70 -73.12 -23.05 60.45 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.985 0.421 . . . . 0.0 110.88 -174.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . 0.448 ' HB3' HD13 ' B' ' 59' ' ' LEU . 48.5 mt -76.89 -50.59 12.98 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.559 -178.241 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . 0.444 ' HA ' ' HB2' ' B' ' 60' ' ' ALA . 10.7 m -68.49 -26.77 34.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.159 0.504 . . . . 0.0 110.301 179.193 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -79.85 -17.29 53.61 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.962 176.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.516 ' HB2' ' O ' ' B' ' 53' ' ' HIS . 26.2 ttm -87.24 -2.83 58.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.114 0.483 . . . . 0.0 110.728 -179.478 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 85.13 -2.39 88.26 Favored Glycine 0 CA--C 1.511 -0.197 0 C-N-CA 121.06 -0.59 . . . . 0.0 112.517 174.302 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . 0.448 HD13 ' HB3' ' B' ' 54' ' ' LEU . 3.5 pp -85.23 -15.34 43.86 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.07 0.462 . . . . 0.0 110.57 -179.375 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . 0.444 ' HB2' ' HA ' ' B' ' 55' ' ' VAL . . . -127.19 167.41 16.1 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.019 173.41 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -81.94 -65.84 0.96 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.899 0.38 . . . . 0.0 110.477 177.03 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 41.5 m -148.71 170.95 17.03 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.433 -174.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' VAL . . . . . 0.431 HG11 HG21 ' B' ' 51' ' ' ILE . 78.4 t -60.39 -25.53 34.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.549 176.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 18.3 pttm -53.13 -37.68 62.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.635 -0.712 . . . . 0.0 111.497 -179.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -66.38 -24.22 66.45 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.077 -0.965 . . . . 0.0 111.507 -178.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' PHE . . . . . 0.486 ' CG ' HG22 ' B' ' 51' ' ' ILE . 2.2 m-85 . . . . . 0 C--N 1.325 -0.487 0 CA-C-O 121.515 0.674 . . . . 0.0 109.803 178.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 29.5 m . . . . . 0 N--CA 1.439 -1.0 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.92 88.58 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 113.018 0.747 . . . . 0.0 113.018 -171.192 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 76' ' ' TRP . . . . . 0.577 ' CZ3' ' HG2' ' B' ' 80' ' ' GLN . 52.5 m95 -85.55 108.79 18.11 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.349 0.595 . . . . 0.0 111.086 -177.626 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 53.1 p -114.71 177.12 4.76 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.32 175.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -61.39 -31.6 77.96 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.499 -0.858 . . . . 0.0 111.303 173.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -70.56 -53.99 13.88 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.66 -0.27 . . . . 0.0 110.307 178.015 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 80' ' ' GLN . . . . . 0.577 ' HG2' ' CZ3' ' B' ' 76' ' ' TRP . 29.0 tt0 -66.85 -32.57 73.94 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.148 -176.769 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -60.04 -41.28 91.93 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 176.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . 0.505 ' O ' ' HG3' ' B' ' 86' ' ' ARG . 25.1 tp -67.78 -43.27 80.15 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.433 176.569 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -51.43 -47.78 62.9 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.047 0.451 . . . . 0.0 110.471 178.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 50.0 tp -59.93 -52.47 65.27 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.561 178.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . 0.462 ' O ' ' HG3' ' B' ' 89' ' ' GLU . 28.9 tt0 -56.96 -50.62 72.08 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 123.767 0.667 . . . . 0.0 111.693 -175.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 86' ' ' ARG . . . . . 0.505 ' HG3' ' O ' ' B' ' 82' ' ' LEU . 76.5 mtp180 -55.56 -53.05 61.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.467 -177.349 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 9.6 mp -63.8 -39.46 94.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.771 0.32 . . . . 0.0 110.879 179.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.625 ' O ' ' HB2' ' B' ' 92' ' ' ARG . 11.9 t80 -54.45 -48.34 71.85 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.774 176.371 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . 0.462 ' HG3' ' O ' ' B' ' 85' ' ' GLN . 48.2 mt-10 -66.04 -39.72 90.39 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.25 0.547 . . . . 0.0 110.996 179.078 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -71.79 -35.62 70.06 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.749 -0.659 . . . . 0.0 112.473 -170.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -112.3 18.04 18.91 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.922 0.391 . . . . 0.0 111.03 -177.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 92' ' ' ARG . . . . . 0.625 ' HB2' ' O ' ' B' ' 88' ' ' PHE . 45.8 ttp180 -68.92 -33.52 73.87 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.654 -174.45 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -77.18 18.37 0.39 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.462 -0.79 . . . . 0.0 112.264 -177.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 89.2 p -104.59 177.88 4.72 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 176.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -74.1 -27.64 60.97 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.17 0.51 . . . . 0.0 110.321 -179.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -143.32 101.07 3.74 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.853 179.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 97' ' ' VAL . . . . . 0.477 ' O ' HG13 ' B' ' 101' ' ' ILE . 7.8 p -75.14 -34.44 31.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.475 -176.773 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . 0.401 ' O ' ' HG2' ' B' ' 102' ' ' MET . 5.9 mp -65.88 -38.02 87.67 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.543 0.571 . . . . 0.0 112.543 -172.469 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -60.74 -34.52 87.06 Favored Glycine 0 C--O 1.226 -0.399 0 C-N-CA 120.727 -0.749 . . . . 0.0 111.852 179.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -75.28 -25.87 58.31 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.938 0.399 . . . . 0.0 109.96 179.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 101' ' ' ILE . . . . . 0.477 HG13 ' O ' ' B' ' 97' ' ' VAL . 71.7 mt -69.91 -64.46 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.774 178.674 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 102' ' ' MET . . . . . 0.635 ' HE3' ' O ' ' B' ' 109' ' ' ARG . 5.9 ptp -63.89 -21.57 66.52 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.103 -0.499 . . . . 0.0 112.183 -174.213 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 5.9 mptp? -86.07 -33.27 21.01 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -93.23 -19.5 21.35 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.607 -175.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 105' ' ' ILE . . . . . 0.54 HG12 ' NH2' ' B' ' 109' ' ' ARG . 11.1 tp -91.17 152.08 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.179 0.514 . . . . 0.0 110.829 -179.083 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 7.1 t -72.31 -31.04 65.34 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.196 -0.911 . . . . 0.0 111.567 -175.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 107' ' ' ALA . . . . . 0.416 ' O ' HG22 ' B' ' 105' ' ' ILE . . . -86.93 127.52 35.06 Favored 'General case' 0 CA--C 1.515 -0.37 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.052 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 108' ' ' LYS . . . . . 0.406 ' HA ' ' HE2' ' B' ' 108' ' ' LYS . 11.1 mmpt? -82.15 100.74 10.0 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.483 0.659 . . . . 0.0 109.311 178.728 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 109' ' ' ARG . . . . . 0.635 ' O ' ' HE3' ' B' ' 102' ' ' MET . 33.9 mtt180 -110.84 132.4 54.23 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.223 -0.899 . . . . 0.0 108.79 -178.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 32.6 t -85.59 167.09 15.69 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.967 -174.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 10.1 mmt180 -57.71 -53.58 56.62 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 -173.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.03 -26.44 64.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.124 0.488 . . . . 0.0 111.335 -178.022 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 113' ' ' ARG . . . . . 0.482 ' HD2' ' HE1' ' B' ' 76' ' ' TRP . 6.6 tpp180 -85.88 -35.63 20.46 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.913 -177.651 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 86.1 mt -72.42 -47.34 52.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.421 177.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 115' ' ' VAL . . . . . 0.499 ' O ' HD22 ' B' ' 119' ' ' LEU . 36.0 m -61.72 -40.6 87.39 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-O 120.921 0.391 . . . . 0.0 110.884 -178.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -64.24 -36.2 83.32 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.631 -178.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 55.3 tptt -71.7 -38.07 70.58 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.074 -177.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . 0.418 HD22 HD12 ' B' ' 123' ' ' LEU . 18.1 mt -57.42 -47.37 81.94 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-O 121.189 0.519 . . . . 0.0 110.398 175.603 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 119' ' ' LEU . . . . . 0.499 HD22 ' O ' ' B' ' 115' ' ' VAL . 4.5 mm? -63.19 -32.76 74.23 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.102 -0.953 . . . . 0.0 111.069 -178.749 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -84.12 -24.1 30.42 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.148 -177.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 48.8 tp -92.76 -13.13 29.68 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.457 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 78.11 34.92 35.93 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.555 178.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . 0.423 HD11 ' CD2' ' B' ' 88' ' ' PHE . 42.5 mt -84.79 -24.03 28.89 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.261 0.553 . . . . 0.0 110.023 177.481 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 124' ' ' VAL . . . . . 0.468 HG23 HD22 ' B' ' 130' ' ' LEU . 14.0 m -146.46 -176.32 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.215 -179.215 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -116.16 -6.79 11.89 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.266 179.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -175.36 171.98 2.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.019 -174.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 127' ' ' ARG . . . . . 0.722 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 8.9 mpt_? -78.17 -20.46 51.92 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.7 0.286 . . . . 0.0 111.262 178.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 128' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -59.32 -36.3 75.38 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.305 0.574 . . . . 0.0 110.916 -178.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -78.63 -7.57 57.76 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.298 -0.864 . . . . 0.0 112.3 -171.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 130' ' ' LEU . . . . . 0.722 ' HG ' ' O ' ' B' ' 127' ' ' ARG . 0.4 OUTLIER -83.48 -10.06 58.59 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.662 0.744 . . . . 0.0 109.914 -176.014 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 131' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 . . . . . 0 C--N 1.317 -0.834 0 CA-C-N 115.1 -0.955 . . . . 0.0 109.011 -175.227 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' TRP . . . . . 0.562 ' CE3' ' HG2' ' B' ' 13' ' ' GLU . 81.6 m95 . . . . . 0 C--O 1.237 0.415 0 CA-C-O 121.402 0.62 . . . . 0.0 111.936 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 12.2 m -79.18 156.37 76.55 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.773 176.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -50.77 -47.01 27.11 Favored 'Trans proline' 0 CA--C 1.531 0.364 0 C-N-CA 122.694 2.263 . . . . 0.0 112.663 178.03 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -67.12 -29.29 68.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.941 0.4 . . . . 0.0 110.567 178.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.562 ' HG2' ' CE3' ' B' ' 9' ' ' TRP . 22.9 tt0 -72.88 -40.37 65.65 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.354 -174.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -71.82 -32.19 67.32 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 120.829 0.347 . . . . 0.0 110.727 175.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.4 -45.14 73.47 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.831 0.348 . . . . 0.0 110.14 175.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.437 ' HA ' ' HB3' ' B' ' 19' ' ' GLU . 21.8 t-160 -60.56 -27.08 67.41 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 123.351 0.66 . . . . 0.0 110.426 173.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.42 HD12 ' CG1' ' B' ' 50' ' ' ILE . 15.5 tp -67.9 -46.04 72.72 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 -179.683 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . 0.726 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 33.6 ptt180 -78.06 -29.42 49.25 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 176.194 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . 0.437 ' HB3' ' HA ' ' B' ' 16' ' ' HIS . 15.7 tp10 -50.57 -52.36 39.68 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.746 0.784 . . . . 0.0 110.155 177.398 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.96 -32.26 69.07 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.751 -1.113 . . . . 0.0 111.164 -179.013 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -70.18 -50.8 36.53 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.218 -177.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.726 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 63.1 mt -58.18 -30.28 66.3 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.693 -177.683 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.36 -47.07 36.48 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.695 -0.684 . . . . 0.0 112.183 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 46.8 m-80 -108.04 16.05 23.75 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -172.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 14.6 ptmm? -75.46 -20.46 58.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.79 0.329 . . . . 0.0 111.321 -178.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -101.19 10.04 41.26 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.145 0.497 . . . . 0.0 110.751 -176.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 41.8 t -92.67 107.91 19.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.858 179.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -92.86 150.13 20.81 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.169 -178.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.71 21.21 60.14 Favored Glycine 0 N--CA 1.449 -0.446 0 N-CA-C 110.18 -1.168 . . . . 0.0 110.18 -172.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -142.81 151.02 40.73 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 114.795 -0.703 . . . . 0.0 110.217 -174.559 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . 0.452 ' HB2' ' HB3' ' B' ' 34' ' ' GLU . 9.8 m-20 -88.98 102.61 15.25 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 173.655 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . 0.613 ' O ' HG12 ' B' ' 36' ' ' ILE . 9.8 p -58.67 -43.85 88.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.803 -176.022 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . 0.819 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 13.5 p -68.38 -35.43 70.75 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.594 0 C-N-CA 121.094 -0.242 . . . . 0.0 110.462 -176.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.452 ' HB3' ' HB2' ' B' ' 31' ' ' ASP . 35.0 tt0 -58.79 -46.11 88.32 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 175.249 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.75 -36.9 70.31 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.697 176.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.613 HG12 ' O ' ' B' ' 32' ' ' VAL . 7.0 mm -71.6 -63.69 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.037 179.691 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.819 ' HG ' ' O ' ' B' ' 33' ' ' VAL . 6.0 mt -48.37 -42.18 30.97 Favored 'General case' 0 N--CA 1.477 0.878 0 O-C-N 124.001 0.813 . . . . 0.0 111.902 -174.338 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.59 -25.16 22.62 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 -168.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 44.8 m-70 -86.09 -29.9 23.0 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 119.997 -0.681 . . . . 0.0 111.399 -176.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.443 ' C ' ' H ' ' B' ' 42' ' ' THR . 0.5 OUTLIER -99.12 84.07 2.98 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.754 0.787 . . . . 0.0 111.032 175.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 -81.35 38.36 0.48 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.517 0.675 . . . . 0.0 110.473 -177.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' THR . . . . . 0.443 ' H ' ' C ' ' B' ' 40' ' ' LEU . 4.9 t -91.93 -22.67 19.91 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.263 -0.881 . . . . 0.0 109.477 176.621 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 2.3 m -121.81 115.19 30.82 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.5 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo -71.23 88.16 0.72 Allowed 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 121.943 1.762 . . . . 0.0 109.561 167.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 23.4 mtt85 -140.8 176.37 8.85 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.372 0.606 . . . . 0.0 112.381 -170.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 72.9 p -105.19 -172.45 2.1 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.831 -1.077 . . . . 0.0 110.562 -178.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . 0.506 ' O ' HG13 ' B' ' 51' ' ' ILE . 3.9 mmt180 -71.19 -50.78 29.57 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.0 0.428 . . . . 0.0 109.916 -175.315 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.488 ' HE2' ' OE1' ' B' ' 49' ' ' GLN . 21.2 ttpt -53.99 -36.42 62.91 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 115.224 -0.898 . . . . 0.0 112.264 -174.746 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.488 ' OE1' ' HE2' ' B' ' 48' ' ' LYS . 0.2 OUTLIER -55.83 -60.94 2.75 Favored 'General case' 0 C--O 1.239 0.532 0 CA-C-O 121.443 0.64 . . . . 0.0 111.381 -179.736 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . 0.444 ' HB ' ' CD2' ' B' ' 37' ' ' LEU . 1.9 mp -61.51 -42.48 94.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.885 -177.676 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . 0.506 HG13 ' O ' ' B' ' 47' ' ' ARG . 79.5 mt -52.98 -47.2 54.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.793 179.465 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -54.79 -51.38 65.96 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-N 115.267 -0.879 . . . . 0.0 112.199 -176.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' HIS . . . . . 0.418 ' HB2' ' CD2' ' B' ' 17' ' ' LEU . 96.7 m-70 -62.57 -35.17 78.65 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 120.595 -0.442 . . . . 0.0 111.801 -176.582 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 91.8 mt -69.35 -48.28 61.8 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.789 0.328 . . . . 0.0 110.928 -176.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 21.8 m -72.28 -21.97 20.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.064 0.459 . . . . 0.0 110.593 179.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -78.0 -28.96 49.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.234 177.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 67.1 mtm -83.84 0.95 45.44 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.995 -0.282 . . . . 0.0 111.304 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 75.06 5.31 75.5 Favored Glycine 0 CA--C 1.511 -0.162 0 C-N-CA 120.977 -0.63 . . . . 0.0 112.645 175.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 4.1 pp -88.32 -13.55 40.47 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.489 0.662 . . . . 0.0 109.584 178.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -129.26 157.73 41.03 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.045 -0.979 . . . . 0.0 109.562 173.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -78.33 -66.6 0.83 Allowed 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -175.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 24.8 m -149.51 164.27 35.51 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.757 0.313 . . . . 0.0 111.246 -172.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 46.3 t -66.34 -32.06 56.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.997 -179.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . 0.541 ' HB3' ' HZ3' ' B' ' 64' ' ' LYS . 9.6 mtpm? -55.89 -30.08 60.99 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.737 -0.665 . . . . 0.0 112.431 -178.561 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -73.77 -18.47 60.97 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.111 0.481 . . . . 0.0 110.52 -176.179 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' PHE . . . . . 0.434 ' CG ' HG23 ' B' ' 51' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.327 -0.407 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.175 -179.479 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . 0.454 ' O ' ' HD1' ' B' ' 76' ' ' TRP . 0.2 OUTLIER . . . . . 0 N--CA 1.446 -0.625 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.93 102.7 0.06 Allowed 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.398 0.618 . . . . 0.0 111.434 -178.659 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 76' ' ' TRP . . . . . 0.517 ' CH2' HD22 ' B' ' 84' ' ' LEU . 20.7 m95 -90.33 113.13 24.93 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.264 177.792 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 24.9 p -124.53 175.11 7.37 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.562 178.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -53.98 -47.56 65.84 Favored Glycine 0 C--O 1.229 -0.205 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.465 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . 0.484 ' O ' ' HG3' ' B' ' 83' ' ' GLU . 8.8 m-20 -59.86 -56.56 20.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.812 0.339 . . . . 0.0 110.659 177.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 80' ' ' GLN . . . . . 0.447 ' NE2' ' HA ' ' B' ' 76' ' ' TRP . 0.1 OUTLIER -58.72 -40.64 84.29 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.022 -175.696 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -65.08 -48.69 72.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.374 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -63.79 -42.5 97.72 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.976 -179.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . 0.484 ' HG3' ' O ' ' B' ' 79' ' ' ASP . 63.8 mt-10 -61.31 -44.63 96.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.696 0.284 . . . . 0.0 111.211 -179.397 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . 0.517 HD22 ' CH2' ' B' ' 76' ' ' TRP . 15.5 tp -72.45 -36.26 68.48 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.934 -0.306 . . . . 0.0 110.555 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -55.13 -61.55 2.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.229 178.319 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 86' ' ' ARG . . . . . 0.45 ' O ' ' HG2' ' B' ' 90' ' ' GLU . 55.6 mtp180 -60.5 -42.73 96.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.591 -175.179 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 87' ' ' LEU . . . . . 0.433 ' HG ' ' CE2' ' B' ' 91' ' ' PHE . 4.5 mp -60.6 -46.01 91.87 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.721 -179.212 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.654 ' O ' ' HB2' ' B' ' 92' ' ' ARG . 1.6 t80 -56.26 -35.75 67.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.791 178.69 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -76.99 -42.04 40.39 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 179.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . 0.45 ' HG2' ' O ' ' B' ' 86' ' ' ARG . 11.6 pt-20 -89.79 -25.33 21.15 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -167.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 91' ' ' PHE . . . . . 0.433 ' CE2' ' HG ' ' B' ' 87' ' ' LEU . 78.5 m-85 -95.33 12.74 28.07 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.599 0.714 . . . . 0.0 109.933 175.735 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 92' ' ' ARG . . . . . 0.654 ' HB2' ' O ' ' B' ' 88' ' ' PHE . 51.1 ttt180 -81.11 -12.09 59.34 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.243 -0.889 . . . . 0.0 111.625 -173.676 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -86.46 5.56 34.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.806 0.336 . . . . 0.0 111.066 -179.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 61.9 p -104.78 172.04 7.0 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 175.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -66.15 -27.58 68.13 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 -171.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -144.51 105.03 4.13 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.994 0.426 . . . . 0.0 110.499 179.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 97' ' ' VAL . . . . . 0.487 HG21 ' O ' ' B' ' 130' ' ' LEU . 2.6 t -62.08 -54.56 32.77 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.362 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.636 -175.296 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . 0.491 ' HB2' ' CZ ' ' B' ' 111' ' ' ARG . 4.5 mp -63.22 -25.9 68.55 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.088 -0.96 . . . . 0.0 111.673 -170.633 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 99' ' ' GLY . . . . . 0.552 ' O ' ' HD3' ' B' ' 103' ' ' LYS . . . -66.87 -46.19 76.59 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.887 -0.673 . . . . 0.0 111.874 177.571 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 73.5 m-70 -74.37 -28.58 61.17 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 178.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 101' ' ' ILE . . . . . 0.448 ' HB ' ' HA ' ' B' ' 98' ' ' LEU . 29.8 mt -57.37 -56.4 15.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.375 -0.829 . . . . 0.0 110.499 173.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 102' ' ' MET . . . . . 0.635 ' HE3' ' O ' ' B' ' 109' ' ' ARG . 60.4 mtt -60.43 -36.92 79.32 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.808 -177.661 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 103' ' ' LYS . . . . . 0.552 ' HD3' ' O ' ' B' ' 99' ' ' GLY . 5.3 mptp? -77.06 -18.73 57.86 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.667 -177.045 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 104' ' ' ASN . . . . . 0.424 HD21 HD22 ' B' ' 87' ' ' LEU . 6.2 t30 -101.88 -27.17 13.14 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.914 -0.314 . . . . 0.0 111.612 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 105' ' ' ILE . . . . . 0.502 HG12 ' NH2' ' B' ' 109' ' ' ARG . 5.7 tp -90.36 149.01 4.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 121.7 0.762 . . . . 0.0 111.855 -170.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 106' ' ' THR . . . . . 0.426 ' N ' HG13 ' B' ' 105' ' ' ILE . 1.7 t -72.78 -28.15 62.43 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 114.861 -1.063 . . . . 0.0 111.227 -178.162 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -90.82 128.07 36.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.777 0.322 . . . . 0.0 110.92 -178.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 108' ' ' LYS . . . . . 0.401 ' HA ' ' HE3' ' B' ' 108' ' ' LYS . 0.0 OUTLIER -89.58 102.35 15.03 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.748 0.785 . . . . 0.0 109.631 176.511 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 109' ' ' ARG . . . . . 0.635 ' O ' ' HE3' ' B' ' 102' ' ' MET . 31.9 mtm180 -117.7 145.85 44.13 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.721 -1.127 . . . . 0.0 109.375 -177.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 37.6 t -84.91 160.91 20.03 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 179.294 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 111' ' ' ARG . . . . . 0.491 ' CZ ' ' HB2' ' B' ' 98' ' ' LEU . 10.6 mmt180 -55.96 -41.82 75.3 Favored 'General case' 0 C--N 1.33 -0.271 0 O-C-N 123.299 0.374 . . . . 0.0 110.433 179.659 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -58.87 -37.35 76.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.412 -179.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 62.4 mtt180 -74.11 -39.96 63.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.813 0.34 . . . . 0.0 110.667 -178.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 114' ' ' ILE . . . . . 0.416 HG23 HD21 ' B' ' 84' ' ' LEU . 84.5 mt -74.11 -51.69 22.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.57 -173.741 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 115' ' ' VAL . . . . . 0.576 ' O ' HD23 ' B' ' 119' ' ' LEU . 20.1 m -63.24 -36.34 75.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-O 120.704 0.287 . . . . 0.0 110.6 -176.488 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -58.63 -42.14 87.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.51 0.672 . . . . 0.0 110.592 176.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . 0.514 ' O ' HD11 ' B' ' 121' ' ' LEU . 6.6 mmtm -79.68 -30.25 41.04 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.889 -175.118 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 6.5 mt -62.59 -41.81 99.18 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.388 -0.525 . . . . 0.0 110.782 176.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 119' ' ' LEU . . . . . 0.576 HD23 ' O ' ' B' ' 115' ' ' VAL . 4.6 mm? -68.69 -26.53 65.34 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.587 178.365 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -83.77 -44.97 13.85 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.129 -177.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 121' ' ' LEU . . . . . 0.514 HD11 ' O ' ' B' ' 117' ' ' LYS . 10.0 mp -64.69 -24.98 67.75 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 121.102 0.477 . . . . 0.0 110.723 176.022 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 78.13 33.14 41.48 Favored Glycine 0 N--CA 1.442 -0.915 0 C-N-CA 120.735 -0.745 . . . . 0.0 111.306 -173.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 40.8 mt -82.96 -17.75 42.42 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-O 121.638 0.732 . . . . 0.0 109.058 177.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 124' ' ' VAL . . . . . 0.446 HG11 ' CD2' ' B' ' 130' ' ' LEU . 2.5 p -148.54 179.15 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.436 -1.165 0 CA-C-N 114.964 -1.016 . . . . 0.0 109.824 175.539 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -117.93 -7.23 10.93 Favored 'General case' 0 C--N 1.303 -1.418 0 CA-C-N 114.542 -1.208 . . . . 0.0 110.706 -179.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 126' ' ' GLU . . . . . 0.472 ' HG3' ' HG2' ' B' ' 129' ' ' GLU . 5.6 pt-20 -172.94 147.9 1.71 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.964 -168.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 127' ' ' ARG . . . . . 0.725 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 71.6 mtm-85 -69.92 -30.14 67.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.715 0.293 . . . . 0.0 111.627 -175.536 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 128' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' B' ' 128' ' ' ARG . 9.6 ptt-85 -65.07 -6.94 10.07 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -178.317 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 129' ' ' GLU . . . . . 0.543 ' HB3' ' NH2' ' B' ' 92' ' ' ARG . 7.4 mm-40 -90.37 -23.74 21.01 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.077 0.465 . . . . 0.0 111.12 177.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 130' ' ' LEU . . . . . 0.725 ' HG ' ' O ' ' B' ' 127' ' ' ARG . 0.0 OUTLIER -96.19 10.92 36.24 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.575 176.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 131' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 . . . . . 0 C--N 1.324 -0.505 0 CA-C-N 115.12 -0.945 . . . . 0.0 108.918 172.85 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 32.3 m95 . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.731 0.301 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 18.1 m -86.75 151.75 53.02 Favored Pre-proline 0 C--N 1.322 -0.598 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 175.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -49.73 -48.01 20.88 Favored 'Trans proline' 0 N--CA 1.477 0.533 0 C-N-CA 122.866 2.378 . . . . 0.0 112.813 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -64.86 -34.35 78.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.634 0.731 . . . . 0.0 110.594 178.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -72.44 -37.28 68.61 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.986 -1.006 . . . . 0.0 110.397 -176.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -70.14 -27.93 64.95 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.135 0.493 . . . . 0.0 110.156 175.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . 0.438 ' O ' ' HB2' ' B' ' 19' ' ' GLU . . . -68.69 -27.36 65.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.01 174.348 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.533 ' HA ' ' CB ' ' B' ' 19' ' ' GLU . 23.1 t-160 -83.36 -26.57 30.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.452 -0.794 . . . . 0.0 109.698 176.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -63.9 -51.03 66.39 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 175.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . 0.733 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 15.0 ptm180 -70.67 -32.34 69.57 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.994 174.349 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . 0.533 ' CB ' ' HA ' ' B' ' 16' ' ' HIS . 13.5 tp10 -49.01 -57.06 7.14 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 121.411 0.624 . . . . 0.0 110.702 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 3.2 mt -60.98 -38.14 84.93 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.026 -0.988 . . . . 0.0 111.433 -179.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -70.37 -42.14 72.17 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.955 0.407 . . . . 0.0 111.028 -176.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.733 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 58.1 mt -69.91 -20.02 63.38 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.944 -177.072 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -89.2 -45.13 9.78 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.419 178.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -82.12 -10.72 59.09 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -173.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -67.08 -21.32 65.89 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 121.012 0.434 . . . . 0.0 110.369 175.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -89.71 -8.39 52.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.411 -178.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 42.1 t -92.42 125.95 44.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.862 -177.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -95.97 132.99 40.71 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.837 -175.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.42 -33.8 4.94 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.962 -0.637 . . . . 0.0 112.255 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . 0.503 ' OE1' ' HB2' ' B' ' 35' ' ' ALA . 1.0 OUTLIER -79.02 125.22 29.1 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 178.91 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -61.94 110.63 1.62 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.365 -178.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . 0.668 ' O ' HG12 ' B' ' 36' ' ' ILE . 2.0 p -62.47 -40.08 86.77 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.363 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.846 -173.266 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . 0.701 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 0.8 OUTLIER -67.48 -40.13 83.86 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.561 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 -174.891 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.432 ' HA ' HD11 ' B' ' 37' ' ' LEU . 3.2 tm-20 -67.56 -40.14 84.93 Favored 'General case' 0 N--CA 1.441 -0.895 0 CA-C-N 115.283 -0.871 . . . . 0.0 109.442 -179.181 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . 0.503 ' HB2' ' OE1' ' B' ' 30' ' ' GLN . . . -55.84 -42.85 76.4 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.16 0.505 . . . . 0.0 110.868 179.476 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.668 HG12 ' O ' ' B' ' 32' ' ' VAL . 4.8 mm -69.36 -57.59 8.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.03 -176.605 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.701 ' HG ' ' O ' ' B' ' 33' ' ' VAL . 2.9 pp -64.83 -18.96 65.59 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.641 -0.709 . . . . 0.0 112.117 -176.184 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -79.77 -52.64 7.68 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 -177.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' HIS . . . . . 0.457 ' HD2' ' O ' ' B' ' 35' ' ' ALA . 90.1 m-70 -83.09 -24.14 32.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.814 0.34 . . . . 0.0 111.772 -168.019 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.545 ' HB2' ' NH2' ' B' ' 45' ' ' ARG . 16.0 mt -76.46 83.08 3.17 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.014 0.435 . . . . 0.0 111.653 -178.455 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 39.5 m-80 -104.93 38.49 1.91 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.637 0.732 . . . . 0.0 109.091 171.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 8.3 t -96.94 -19.06 19.07 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.409 -1.269 . . . . 0.0 109.416 176.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . 0.425 ' O ' ' HD3' ' B' ' 45' ' ' ARG . 7.3 p -149.88 124.32 4.66 Favored Pre-proline 0 N--CA 1.447 -0.625 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.05 -175.415 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -75.73 120.39 5.82 Favored 'Trans proline' 0 N--CA 1.46 -0.462 0 C-N-CA 122.237 1.958 . . . . 0.0 112.007 177.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . 0.545 ' NH2' ' HB2' ' B' ' 40' ' ' LEU . 0.0 OUTLIER -156.6 167.88 29.1 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 179.138 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 6.0 t -76.84 153.68 34.6 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 172.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . 0.493 ' CG ' HD22 ' B' ' 37' ' ' LEU . 0.1 OUTLIER -60.69 -25.03 66.09 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.309 0.576 . . . . 0.0 110.818 -178.407 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -55.37 -39.52 70.19 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.154 -0.93 . . . . 0.0 111.323 177.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -65.65 -33.83 76.81 Favored 'General case' 0 C--O 1.222 -0.352 0 CA-C-N 116.684 -0.234 . . . . 0.0 111.444 -175.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . 0.498 HD13 ' CZ ' ' B' ' 45' ' ' ARG . 2.9 mp -61.19 -59.1 4.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 120.957 0.408 . . . . 0.0 110.032 178.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . 0.474 HG13 ' CD2' ' B' ' 66' ' ' PHE . 2.1 mp -54.74 -42.79 63.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.093 -0.958 . . . . 0.0 110.417 177.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' HIS . . . . . 0.565 ' HB3' ' NE2' ' B' ' 56' ' ' GLN . 2.7 m-70 -66.37 -53.67 33.31 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.265 -0.879 . . . . 0.0 112.06 -177.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -59.73 -33.6 71.84 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 111.762 0.282 . . . . 0.0 111.762 -175.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . 0.487 ' CD2' HD13 ' B' ' 59' ' ' LEU . 76.3 mt -65.25 -49.37 69.87 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.073 -179.003 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 11.7 m -76.77 -24.43 15.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.173 0.511 . . . . 0.0 110.452 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' GLN . . . . . 0.565 ' NE2' ' HB3' ' B' ' 52' ' ' HIS . 40.1 mt-30 -66.68 -33.4 75.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.361 177.624 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 73.6 mtm -91.64 11.05 25.67 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.889 0.376 . . . . 0.0 111.2 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 67.86 8.32 52.62 Favored Glycine 0 C--N 1.331 0.293 0 CA-C-N 115.741 -0.663 . . . . 0.0 113.273 173.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . 0.487 HD13 ' CD2' ' B' ' 54' ' ' LEU . 4.5 pp -90.25 -18.71 25.16 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.527 0.68 . . . . 0.0 109.966 -178.704 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -110.33 161.02 16.04 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.43 172.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -72.13 -68.37 0.47 Allowed 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.792 178.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 58.8 m -164.72 176.17 9.05 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.2 0.524 . . . . 0.0 111.951 -175.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 3.6 t -61.03 -24.69 33.81 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 CA-C-N 114.976 -1.011 . . . . 0.0 110.717 176.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -61.64 -30.92 71.02 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.117 -0.947 . . . . 0.0 112.086 -177.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -82.17 -19.13 40.51 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.275 0.559 . . . . 0.0 110.943 -178.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' PHE . . . . . 0.474 ' CD2' HG13 ' B' ' 51' ' ' ILE . 44.9 m-85 . . . . . 0 C--N 1.327 -0.38 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -172.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . 0.493 ' O ' ' HD1' ' B' ' 76' ' ' TRP . 3.9 m . . . . . 0 N--CA 1.446 -0.669 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . 0.541 ' O ' HD13 ' B' ' 75' ' ' LEU . 0.6 OUTLIER -50.13 90.98 0.0 OUTLIER 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 121.684 0.754 . . . . 0.0 113.023 -178.528 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 76' ' ' TRP . . . . . 0.669 ' CH2' HD22 ' B' ' 84' ' ' LEU . 17.8 m95 -88.45 109.27 19.89 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 171.455 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 69.6 p -101.12 160.26 14.54 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.782 176.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -54.01 -38.51 60.75 Favored Glycine 0 CA--C 1.519 0.283 0 C-N-CA 121.283 -0.484 . . . . 0.0 113.438 -177.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -74.76 -42.63 57.83 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.741 0.27 . . . . 0.0 111.589 -176.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -80.56 -25.39 38.61 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.671 -0.412 . . . . 0.0 110.354 -177.133 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -67.1 -44.48 79.89 Favored 'General case' 0 CA--C 1.52 -0.195 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 175.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 17.5 tp -63.59 -40.13 96.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.176 175.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . 0.412 ' O ' ' HB2' ' B' ' 87' ' ' LEU . 11.3 tp10 -56.14 -49.13 74.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.289 178.152 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . 0.669 HD22 ' CH2' ' B' ' 76' ' ' TRP . 26.0 tp -73.15 -31.29 64.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.784 179.746 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -56.07 -59.67 4.58 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 175.288 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 47.6 mtp180 -56.89 -44.63 82.48 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.914 177.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 87' ' ' LEU . . . . . 0.441 HD13 HD21 ' B' ' 104' ' ' ASN . 4.6 tp -58.02 -50.18 74.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.117 -175.728 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -57.29 -46.89 82.69 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.283 179.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -65.45 -33.37 75.78 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.259 -178.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -84.2 -26.14 28.97 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.258 -172.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -107.77 -1.68 20.71 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.419 0.526 . . . . 0.0 112.419 -177.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 92' ' ' ARG . . . . . 0.428 ' HA ' ' HB ' ' B' ' 97' ' ' VAL . 25.8 ptt180 -72.76 -9.25 58.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.486 0.66 . . . . 0.0 109.711 175.568 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -58.95 -18.71 36.22 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.793 171.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 24.1 t -103.62 179.63 4.22 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 178.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -71.89 -50.57 28.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.022 0.439 . . . . 0.0 110.63 -177.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -112.32 103.61 11.75 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.942 -178.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 97' ' ' VAL . . . . . 0.441 ' O ' HG13 ' B' ' 101' ' ' ILE . 10.3 p -76.98 -34.59 22.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.624 -176.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . 0.45 ' HA ' ' HB ' ' B' ' 101' ' ' ILE . 4.1 mp -72.03 -32.35 67.05 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.335 0.494 . . . . 0.0 112.335 -172.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -59.49 -40.26 96.0 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.587 -0.816 . . . . 0.0 111.614 174.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 83.6 m-70 -77.72 -30.25 51.61 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 178.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 101' ' ' ILE . . . . . 0.461 ' O ' HG21 ' B' ' 105' ' ' ILE . 42.3 mt -56.55 -59.57 2.82 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.303 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.994 173.522 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 102' ' ' MET . . . . . 0.533 ' HE2' ' O ' ' B' ' 109' ' ' ARG . 21.4 mmt -53.62 -37.75 63.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.077 -0.51 . . . . 0.0 112.092 -177.496 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -87.17 -11.49 49.78 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.16 -0.473 . . . . 0.0 112.271 -174.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 104' ' ' ASN . . . . . 0.441 HD21 HD13 ' B' ' 87' ' ' LEU . 52.7 t30 -115.81 -15.98 11.23 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.385 -0.526 . . . . 0.0 112.2 -178.511 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 105' ' ' ILE . . . . . 0.461 HG21 ' O ' ' B' ' 101' ' ' ILE . 11.1 tp -91.91 156.98 2.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.427 0.632 . . . . 0.0 111.225 -177.615 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 106' ' ' THR . . . . . 0.458 ' N ' HG13 ' B' ' 105' ' ' ILE . 14.7 t -78.91 -43.78 24.07 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.276 -0.875 . . . . 0.0 111.416 -178.564 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 107' ' ' ALA . . . . . 0.418 ' N ' HG21 ' B' ' 106' ' ' THR . . . -85.26 126.81 33.99 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-O 120.615 0.245 . . . . 0.0 110.415 -178.02 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 9.0 mptt -91.84 102.72 15.32 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.506 0.669 . . . . 0.0 110.314 179.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 109' ' ' ARG . . . . . 0.533 ' O ' ' HE2' ' B' ' 102' ' ' MET . 12.7 mtm180 -104.13 -178.09 3.56 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.913 -1.04 . . . . 0.0 110.696 -178.011 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 110' ' ' SER . . . . . 0.472 ' O ' HG13 ' B' ' 114' ' ' ILE . 18.5 m -100.28 148.24 24.88 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.462 167.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 61.7 mtp180 -65.06 -36.68 85.11 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -172.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -58.77 -38.57 78.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.044 0.45 . . . . 0.0 111.899 -177.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 113' ' ' ARG . . . . . 0.478 ' O ' ' HB2' ' B' ' 117' ' ' LYS . 1.8 ptp180 -87.11 -19.25 28.8 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.559 -178.407 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 114' ' ' ILE . . . . . 0.472 HG13 ' O ' ' B' ' 110' ' ' SER . 77.5 mt -69.91 -50.99 44.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 175.117 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 115' ' ' VAL . . . . . . . . . . . . . 27.0 m -61.63 -37.96 79.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.97 -178.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -74.24 -32.21 62.89 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.202 -177.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . 0.478 ' HB2' ' O ' ' B' ' 113' ' ' ARG . 6.2 tmtt? -72.09 -27.65 62.79 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.386 178.669 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . 0.404 HD22 HD12 ' B' ' 123' ' ' LEU . 19.7 mt -57.76 -46.52 84.41 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 121.086 0.469 . . . . 0.0 110.02 173.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -56.55 -36.26 69.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.484 178.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -73.39 -37.13 66.09 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.381 -178.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 10.9 mp -71.48 -25.41 62.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.031 0.443 . . . . 0.0 110.922 175.061 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 80.44 29.31 44.9 Favored Glycine 0 N--CA 1.442 -0.919 0 C-N-CA 120.649 -0.786 . . . . 0.0 111.275 -171.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . 0.404 HD12 HD22 ' B' ' 118' ' ' LEU . 43.8 mt -76.96 -21.41 54.81 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-O 121.607 0.718 . . . . 0.0 109.235 177.494 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 124' ' ' VAL . . . . . 0.43 HG22 ' CD2' ' B' ' 130' ' ' LEU . 12.2 m -147.9 177.64 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 114.59 -1.186 . . . . 0.0 109.605 176.111 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -117.73 -7.69 10.97 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.694 176.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -158.91 152.45 22.93 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 114.815 -1.084 . . . . 0.0 109.152 -175.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 127' ' ' ARG . . . . . 0.636 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 36.4 mtm-85 -74.9 -21.12 59.4 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.124 0.487 . . . . 0.0 110.496 177.813 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 128' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -51.22 -34.79 33.64 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 114.728 -1.124 . . . . 0.0 112.232 -179.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -73.48 -33.24 64.73 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -176.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 130' ' ' LEU . . . . . 0.636 ' HG ' ' O ' ' B' ' 127' ' ' ARG . 0.1 OUTLIER -91.62 20.45 5.44 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.341 0.591 . . . . 0.0 110.738 -176.627 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 131' ' ' TYR . . . . . 0.499 ' CE2' ' HB3' ' B' ' 127' ' ' ARG . 16.6 m-85 . . . . . 0 C--N 1.319 -0.751 0 CA-C-N 115.173 -0.922 . . . . 0.0 109.022 178.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 59.3 m95 . . . . . 0 CA--C 1.516 -0.361 0 CA-C-O 120.887 0.375 . . . . 0.0 110.534 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 33.8 p -89.4 165.65 24.89 Favored Pre-proline 0 C--N 1.313 -0.98 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 173.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -51.36 -33.42 46.08 Favored 'Trans proline' 0 N--CA 1.462 -0.344 0 C-N-CA 122.138 1.892 . . . . 0.0 111.292 171.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -73.51 -37.47 65.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.212 177.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.449 ' CD ' HG21 ' B' ' 42' ' ' THR . 6.8 tp10 -68.12 -42.81 79.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.521 0.2 . . . . 0.0 111.332 -173.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -73.52 -25.05 60.24 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.264 -0.574 . . . . 0.0 110.476 177.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . 0.473 ' O ' ' HB2' ' B' ' 19' ' ' GLU . . . -71.12 -26.35 62.98 Favored 'General case' 0 C--O 1.225 -0.219 0 CA-C-O 121.454 0.645 . . . . 0.0 109.671 171.782 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.486 ' O ' ' HB3' ' B' ' 19' ' ' GLU . 11.4 t-160 -81.71 -28.76 33.28 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.737 -1.12 . . . . 0.0 110.147 176.562 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.517 ' CD2' ' HB2' ' B' ' 53' ' ' HIS . 21.9 tp -67.75 -45.66 74.31 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.701 176.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . 0.808 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 12.0 ptm180 -72.16 -33.39 67.68 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 175.341 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . 0.486 ' HB3' ' O ' ' B' ' 16' ' ' HIS . 8.3 tp10 -50.58 -50.78 52.84 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.156 177.681 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.426 ' HB3' HG12 ' B' ' 36' ' ' ILE . 0.4 OUTLIER -69.2 -33.17 72.94 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.675 -1.148 . . . . 0.0 111.445 -178.479 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -68.63 -50.58 50.31 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 121.421 0.629 . . . . 0.0 109.968 -178.024 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.808 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 16.3 mt -63.14 -26.48 68.83 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.915 -1.038 . . . . 0.0 111.21 -178.264 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.4 -30.32 37.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.045 -0.525 . . . . 0.0 112.373 -175.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 45.5 m-80 -119.99 22.65 11.39 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -173.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -85.37 -13.66 48.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.954 0.407 . . . . 0.0 111.156 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -98.84 23.91 8.28 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.907 0.86 . . . . 0.0 110.431 -177.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 21.8 t -113.36 108.01 24.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.586 -176.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -88.29 143.36 27.07 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.223 -176.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.95 27.45 49.99 Favored Glycine 0 N--CA 1.447 -0.578 0 N-CA-C 110.394 -1.083 . . . . 0.0 110.394 -173.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -144.47 151.69 39.54 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.009 -0.596 . . . . 0.0 110.679 -173.268 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -95.41 107.22 19.35 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 172.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . 0.562 ' O ' HG13 ' B' ' 36' ' ' ILE . 9.3 p -58.45 -33.15 47.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 178.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . 0.783 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 3.1 t -55.26 -58.77 3.49 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.598 0 CA-C-N 114.736 -1.12 . . . . 0.0 110.03 175.665 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -60.2 -34.13 73.2 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.655 -175.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . 0.407 ' O ' ' HD2' ' B' ' 39' ' ' HIS . . . -58.64 -46.26 87.5 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 121.553 0.692 . . . . 0.0 109.587 176.376 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.562 HG13 ' O ' ' B' ' 32' ' ' VAL . 35.7 mt -69.82 -56.21 12.22 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.425 179.161 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.783 ' HG ' ' O ' ' B' ' 33' ' ' VAL . 28.0 mt -43.49 -43.5 5.44 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 124.049 0.843 . . . . 0.0 112.07 -175.044 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -85.67 -35.01 21.17 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 -171.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' HIS . . . . . 0.407 ' HD2' ' O ' ' B' ' 35' ' ' ALA . 17.7 m-70 -75.8 -30.61 59.12 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 -169.745 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.579 ' HG ' ' O ' ' B' ' 40' ' ' LEU . 1.8 pt? -99.79 83.52 2.76 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 122.388 1.09 . . . . 0.0 111.393 -178.521 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 23.6 p-10 -84.31 40.61 0.78 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.243 -0.89 . . . . 0.0 109.639 175.005 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' THR . . . . . 0.449 HG21 ' CD ' ' B' ' 13' ' ' GLU . 5.0 t -96.58 -29.74 13.69 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.76 -1.109 . . . . 0.0 110.806 -175.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 3.9 p -131.57 130.69 22.49 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.698 -174.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -80.8 101.94 1.34 Allowed 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 122.667 2.244 . . . . 0.0 111.922 177.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . 0.521 ' CZ ' HD13 ' B' ' 50' ' ' ILE . 0.0 OUTLIER -156.53 169.21 25.17 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.647 -178.055 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' THR . . . . . 0.503 ' OG1' ' HG2' ' B' ' 49' ' ' GLN . 82.4 p -76.72 176.83 8.08 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.969 0.414 . . . . 0.0 111.005 -178.497 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . 0.493 ' HD2' ' HB3' ' B' ' 37' ' ' LEU . 27.4 mmt180 -73.93 -29.74 62.19 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 177.724 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 25.1 ttpp -62.11 -36.74 82.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.056 -0.975 . . . . 0.0 110.852 176.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.503 ' HG2' ' OG1' ' B' ' 46' ' ' THR . 15.5 mm100 -60.86 -38.92 87.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.271 -178.04 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . 0.521 HD13 ' CZ ' ' B' ' 45' ' ' ARG . 2.1 mp -61.19 -54.81 30.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.894 0.378 . . . . 0.0 110.107 176.357 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 63.9 mt -59.46 -45.4 93.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.379 -176.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' HIS . . . . . 0.508 ' O ' ' HB2' ' B' ' 56' ' ' GLN . 1.7 m-70 -60.75 -39.35 88.37 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.181 -175.22 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' HIS . . . . . 0.527 ' O ' ' HB2' ' B' ' 57' ' ' MET . 71.3 m-70 -69.95 -28.82 65.88 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.521 -0.472 . . . . 0.0 110.901 179.725 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . 0.452 ' O ' ' HG ' ' B' ' 59' ' ' LEU . 75.5 mt -74.53 -49.46 21.89 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.216 0.532 . . . . 0.0 110.509 -177.302 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . 0.408 ' HA ' ' HB3' ' B' ' 60' ' ' ALA . 18.6 m -70.66 -30.9 44.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.547 -179.479 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' GLN . . . . . 0.508 ' HB2' ' O ' ' B' ' 52' ' ' HIS . 25.0 mt-30 -75.78 -18.53 59.49 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.048 176.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.635 ' SD ' ' HD2' ' B' ' 18' ' ' ARG . 23.1 ttm -82.83 -11.02 58.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.097 0.475 . . . . 0.0 110.337 -179.053 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 86.78 2.28 84.48 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.619 178.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' B' ' 54' ' ' LEU . 4.2 pp -87.83 -9.55 53.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.323 0.582 . . . . 0.0 109.986 179.099 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . 0.408 ' HB3' ' HA ' ' B' ' 55' ' ' VAL . . . -132.88 164.91 25.84 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.107 173.355 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -74.67 -66.17 0.78 Allowed 'General case' 0 CA--C 1.514 -0.432 0 CA-C-O 120.828 0.347 . . . . 0.0 111.002 177.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 16.9 p -157.2 173.79 16.44 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.954 -176.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 91.6 t -64.95 -28.37 44.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.495 -177.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 13.8 pttm -63.0 -28.57 70.2 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.663 0.744 . . . . 0.0 110.876 -177.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -68.17 -20.17 64.85 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.756 -1.111 . . . . 0.0 110.855 178.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.352 0 CA-C-O 121.814 0.816 . . . . 0.0 109.07 176.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . 0.417 HG21 ' HG3' ' B' ' 113' ' ' ARG . 61.1 t . . . . . 0 N--CA 1.43 -1.426 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . 0.551 ' O ' ' HG ' ' B' ' 75' ' ' LEU . 2.3 pt? -47.66 94.93 0.01 OUTLIER 'General case' 0 C--N 1.316 -0.849 0 O-C-N 124.275 0.984 . . . . 0.0 110.808 178.587 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 76' ' ' TRP . . . . . 0.5 ' CH2' HD22 ' B' ' 84' ' ' LEU . 44.6 m95 -95.99 108.12 20.48 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.493 -177.397 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 44.4 p -123.05 176.27 6.13 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.09 -0.959 . . . . 0.0 108.816 179.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -61.88 -42.62 99.76 Favored Glycine 0 N--CA 1.453 -0.177 0 C-N-CA 120.481 -0.866 . . . . 0.0 111.37 177.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -64.29 -49.73 70.67 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.89 0.376 . . . . 0.0 110.678 177.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.72 -33.45 75.14 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.272 -178.282 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -78.4 -39.7 38.21 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.862 -177.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 20.9 tp -61.52 -40.65 95.41 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 174.283 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . 0.441 ' O ' ' HB2' ' B' ' 87' ' ' LEU . 8.5 mm-40 -56.2 -45.03 79.98 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.336 175.183 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . 0.5 HD22 ' CH2' ' B' ' 76' ' ' TRP . 31.6 tp -60.62 -48.85 79.95 Favored 'General case' 0 C--N 1.333 -0.139 0 O-C-N 123.365 0.416 . . . . 0.0 110.854 175.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -54.47 -56.29 20.23 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 123.572 0.545 . . . . 0.0 110.782 -176.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 7.6 mtp180 -60.17 -51.49 69.38 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 120.82 -0.352 . . . . 0.0 111.23 178.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 87' ' ' LEU . . . . . 0.539 HD22 HG23 ' B' ' 101' ' ' ILE . 12.2 tp -53.0 -47.94 67.89 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.13 -177.079 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -62.57 -59.8 4.42 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.256 -179.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . 0.455 ' OE1' ' HD2' ' B' ' 92' ' ' ARG . 6.2 mm-40 -54.96 -41.58 71.3 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-O 121.482 0.658 . . . . 0.0 111.564 -176.791 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -71.14 -20.22 62.34 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 115.068 -0.969 . . . . 0.0 112.374 -175.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -118.82 13.65 13.22 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 92' ' ' ARG . . . . . 0.455 ' HD2' ' OE1' ' B' ' 89' ' ' GLU . 18.9 mtp180 -61.67 -27.49 68.72 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-O 120.883 0.373 . . . . 0.0 111.138 -179.051 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -65.93 5.7 0.46 Allowed 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.144 -0.934 . . . . 0.0 112.453 -178.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 20.1 m -104.71 142.91 33.85 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 172.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -66.57 -13.92 61.67 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 120.834 0.35 . . . . 0.0 110.947 -177.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -137.11 87.63 2.29 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 169.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 97' ' ' VAL . . . . . 0.416 HG11 ' O ' ' B' ' 130' ' ' LEU . 7.6 p -70.85 -31.24 44.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.897 -177.616 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . 0.511 ' O ' ' HG2' ' B' ' 102' ' ' MET . 5.4 mp -64.74 -32.68 74.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.491 -176.385 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 99' ' ' GLY . . . . . 0.55 ' O ' ' HD3' ' B' ' 103' ' ' LYS . . . -58.1 -45.7 93.6 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.503 -0.856 . . . . 0.0 111.07 174.358 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 18.0 m-70 -69.47 -34.72 74.77 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.578 -0.526 . . . . 0.0 109.578 178.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 101' ' ' ILE . . . . . 0.539 HG23 HD22 ' B' ' 87' ' ' LEU . 29.4 mt -59.54 -65.09 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.007 -179.344 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 102' ' ' MET . . . . . 0.532 ' HE2' ' O ' ' B' ' 109' ' ' ARG . 7.5 ptp -66.59 -19.46 65.78 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 -172.183 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 103' ' ' LYS . . . . . 0.55 ' HD3' ' O ' ' B' ' 99' ' ' GLY . 5.5 mptp? -86.36 -36.78 19.01 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.735 177.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 104' ' ' ASN . . . . . 0.425 ' N ' HD21 ' B' ' 104' ' ' ASN . 0.9 OUTLIER -94.01 -4.95 48.64 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.211 0.448 . . . . 0.0 112.211 -174.935 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 105' ' ' ILE . . . . . 0.537 HG21 ' O ' ' B' ' 107' ' ' ALA . 7.0 tp -91.73 148.66 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.358 0.599 . . . . 0.0 110.946 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 106' ' ' THR . . . . . 0.46 ' N ' HG13 ' B' ' 105' ' ' ILE . 6.1 t -63.73 -21.7 66.53 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.994 -1.003 . . . . 0.0 111.845 -177.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 107' ' ' ALA . . . . . 0.537 ' O ' HG21 ' B' ' 105' ' ' ILE . . . -112.32 128.68 56.35 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.517 -178.162 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 108' ' ' LYS . . . . . 0.451 ' HA ' ' HE3' ' B' ' 108' ' ' LYS . 0.0 OUTLIER -77.73 101.8 6.83 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.492 0.663 . . . . 0.0 109.82 -179.299 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 109' ' ' ARG . . . . . 0.532 ' O ' ' HE2' ' B' ' 102' ' ' MET . 23.5 mtt85 -105.53 160.6 15.05 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.045 -178.185 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 42.0 t -98.37 165.41 11.87 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.549 171.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 12.8 mmt85 -58.09 -44.2 87.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.406 -176.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -61.06 -25.22 66.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.643 -178.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 113' ' ' ARG . . . . . 0.598 ' NE ' ' HA ' ' B' ' 113' ' ' ARG . 2.3 mmp_? -81.31 -32.46 33.08 Favored 'General case' 0 CA--C 1.509 -0.633 0 CA-C-O 121.315 0.579 . . . . 0.0 110.871 -178.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 114' ' ' ILE . . . . . 0.401 ' O ' ' HG ' ' B' ' 118' ' ' LEU . 57.0 mt -83.66 -42.61 17.54 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.158 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.6 -174.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 115' ' ' VAL . . . . . 0.554 ' O ' HD23 ' B' ' 119' ' ' LEU . 34.6 m -63.29 -38.34 81.87 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.134 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.473 179.045 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -61.73 -48.21 81.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.249 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . 0.508 ' O ' HD11 ' B' ' 121' ' ' LEU . 0.4 OUTLIER -70.73 -29.62 65.93 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 120.389 -0.525 . . . . 0.0 111.659 -173.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' B' ' 114' ' ' ILE . 13.3 mt -58.54 -46.35 87.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.905 0.383 . . . . 0.0 110.732 178.001 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 119' ' ' LEU . . . . . 0.554 HD23 ' O ' ' B' ' 115' ' ' VAL . 4.3 mm? -63.42 -32.13 73.48 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.561 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -73.12 -40.25 65.08 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.76 -177.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 121' ' ' LEU . . . . . 0.508 HD11 ' O ' ' B' ' 117' ' ' LYS . 9.7 mp -73.97 -24.27 59.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.146 174.401 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 77.56 30.77 52.56 Favored Glycine 0 N--CA 1.444 -0.771 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.427 -174.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 59.1 mt -75.07 -19.98 59.74 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.861 0.839 . . . . 0.0 109.238 179.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 124' ' ' VAL . . . . . 0.447 HG11 HD23 ' B' ' 130' ' ' LEU . 30.6 m -141.14 170.43 13.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 114.31 -1.314 . . . . 0.0 110.107 176.773 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -99.0 -22.42 15.74 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.789 177.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -169.09 -179.63 3.67 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.336 -0.847 . . . . 0.0 108.989 -179.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 127' ' ' ARG . . . . . 0.666 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 48.4 mtp180 -72.54 -21.86 61.1 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -177.06 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 128' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -56.97 -38.49 73.05 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.818 0.342 . . . . 0.0 111.458 174.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -71.08 -15.84 62.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.839 -0.619 . . . . 0.0 112.584 -171.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 130' ' ' LEU . . . . . 0.666 ' HG ' ' O ' ' B' ' 127' ' ' ARG . 0.1 OUTLIER -95.0 2.54 55.36 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.312 0.577 . . . . 0.0 110.709 -177.675 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 131' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 . . . . . 0 C--N 1.322 -0.619 0 N-CA-C 107.926 -1.138 . . . . 0.0 107.926 173.457 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 32.2 m95 . . . . . 0 N--CA 1.451 -0.377 0 CA-C-O 121.142 0.496 . . . . 0.0 110.566 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 47.2 m -135.74 153.58 77.44 Favored Pre-proline 0 C--N 1.319 -0.73 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 178.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -41.31 -44.71 5.72 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 123.632 2.888 . . . . 0.0 113.928 -175.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -58.0 -50.38 73.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.132 0.491 . . . . 0.0 110.989 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.437 ' CD ' HG23 ' B' ' 42' ' ' THR . 6.3 tp10 -75.71 -31.49 59.68 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.6 -175.173 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -70.26 -34.4 72.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.202 0.525 . . . . 0.0 109.85 177.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.61 -33.81 76.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.943 -0.572 . . . . 0.0 109.897 173.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.516 ' O ' ' HB3' ' B' ' 19' ' ' GLU . 14.3 t-160 -74.12 -27.25 60.78 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.23 176.027 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.415 HD21 ' HB2' ' B' ' 53' ' ' HIS . 34.6 tp -67.37 -46.62 72.78 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.234 -0.439 . . . . 0.0 109.992 177.08 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . 0.723 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 38.3 ptt180 -72.42 -28.25 62.85 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 175.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . 0.516 ' HB3' ' O ' ' B' ' 16' ' ' HIS . 8.1 tp10 -53.54 -51.56 62.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.294 179.637 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.75 -26.82 57.77 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.167 -0.924 . . . . 0.0 111.245 -178.481 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -71.09 -50.37 34.4 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-O 121.035 0.445 . . . . 0.0 110.114 179.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.723 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 51.7 mt -63.14 -25.75 68.5 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.285 -178.243 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.17 -54.75 11.51 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.477 178.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -96.14 2.57 53.24 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 -171.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -77.16 -12.96 60.01 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.458 178.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -93.52 9.79 35.21 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.863 0.839 . . . . 0.0 110.019 178.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 31.2 t -108.32 107.49 22.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.678 -176.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -79.89 148.1 31.43 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.093 177.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.59 7.24 87.72 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.138 -179.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . 0.449 ' HG2' ' N ' ' B' ' 31' ' ' ASP . 36.7 tt0 -131.39 153.2 49.92 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.135 0.493 . . . . 0.0 111.019 -178.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . 0.449 ' N ' ' HG2' ' B' ' 30' ' ' GLN . 38.3 m-20 -86.99 115.39 24.34 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.862 171.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . 0.458 ' O ' HG13 ' B' ' 36' ' ' ILE . 8.1 p -65.96 -34.58 71.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.148 178.216 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . 0.705 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 1.3 p -58.36 -51.15 74.81 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.784 -177.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -65.78 -29.26 69.72 Favored 'General case' 0 CA--C 1.521 -0.149 0 C-N-CA 121.11 -0.236 . . . . 0.0 111.504 -178.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . 0.416 ' HB2' ' NE2' ' B' ' 30' ' ' GLN . . . -63.78 -46.27 86.01 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.558 0.695 . . . . 0.0 110.177 176.578 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.458 HG13 ' O ' ' B' ' 32' ' ' VAL . 28.6 mt -70.39 -62.43 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.096 -176.675 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.705 ' HG ' ' O ' ' B' ' 33' ' ' VAL . 2.9 pp -57.89 -26.48 62.2 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 112.958 0.725 . . . . 0.0 112.958 -171.671 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . 0.545 ' N ' HD12 ' B' ' 37' ' ' LEU . . . -88.35 -41.67 12.7 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 -176.688 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 56.5 m-70 -75.57 -30.37 59.65 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.492 -0.483 . . . . 0.0 111.244 -175.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -103.4 80.54 1.83 Allowed 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 122.263 1.03 . . . . 0.0 110.948 172.241 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -89.21 39.81 0.96 Allowed 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.177 -0.919 . . . . 0.0 109.366 176.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' THR . . . . . 0.437 HG23 ' CD ' ' B' ' 13' ' ' GLU . 2.6 t -88.72 -28.59 20.45 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.43 -1.259 . . . . 0.0 110.73 -177.285 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . 0.544 ' O ' ' HD3' ' B' ' 45' ' ' ARG . 0.2 OUTLIER -112.66 126.08 28.9 Favored Pre-proline 0 C--N 1.326 -0.448 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 -179.73 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -76.8 102.73 1.65 Allowed 'Trans proline' 0 N--CA 1.46 -0.452 0 C-N-CA 121.505 1.47 . . . . 0.0 111.171 171.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . 0.544 ' HD3' ' O ' ' B' ' 43' ' ' VAL . 0.0 OUTLIER -148.06 174.39 11.97 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.759 -176.325 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 14.9 t -83.05 161.3 21.73 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 172.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . 0.408 ' HD2' HD21 ' B' ' 37' ' ' LEU . 18.6 mmt180 -68.41 -28.42 67.07 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.3 0.571 . . . . 0.0 110.304 -175.096 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.54 -32.08 62.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.812 176.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -64.3 -44.33 91.94 Favored 'General case' 0 CA--C 1.512 -0.517 0 N-CA-C 111.556 0.206 . . . . 0.0 111.556 -177.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . 0.534 HD11 ' CZ ' ' B' ' 45' ' ' ARG . 4.3 mp -61.85 -49.04 85.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 120.968 0.413 . . . . 0.0 110.037 -177.219 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . 0.477 HG22 ' CD2' ' B' ' 66' ' ' PHE . 71.6 mt -57.6 -47.29 85.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.119 178.615 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' HIS . . . . . 0.631 ' HB3' ' NE2' ' B' ' 56' ' ' GLN . 4.4 m-70 -74.1 -48.49 29.28 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 114.665 -1.152 . . . . 0.0 112.586 -172.291 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' HIS . . . . . 0.415 ' HB2' HD21 ' B' ' 17' ' ' LEU . 13.3 m-70 -54.89 -33.75 62.3 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 120.937 0.399 . . . . 0.0 111.195 -176.256 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . 0.445 HD11 HD11 ' B' ' 36' ' ' ILE . 74.3 mt -74.19 -47.34 36.3 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.827 -177.307 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . 0.408 HG13 ' C ' ' B' ' 62' ' ' SER . 34.7 m -72.45 -22.49 20.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.156 0.503 . . . . 0.0 110.306 178.314 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' GLN . . . . . 0.631 ' NE2' ' HB3' ' B' ' 52' ' ' HIS . 50.8 mt-30 -71.56 -24.52 61.94 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.221 175.535 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 73.4 mtm -91.34 2.77 56.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.95 0.405 . . . . 0.0 110.804 177.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 67.98 14.74 66.2 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 121.094 -0.574 . . . . 0.0 112.876 176.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . 0.434 ' C ' HD12 ' B' ' 59' ' ' LEU . 4.0 pp -97.17 -20.08 18.19 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.566 0.698 . . . . 0.0 109.871 178.378 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . 0.418 ' N ' HD12 ' B' ' 59' ' ' LEU . . . -112.58 150.49 31.29 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.248 171.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -68.09 -66.74 0.53 Allowed 'General case' 0 C--N 1.322 -0.621 0 O-C-N 123.334 0.396 . . . . 0.0 111.715 -174.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' SER . . . . . 0.408 ' C ' HG13 ' B' ' 55' ' ' VAL . 14.6 m -154.71 176.58 12.26 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.09 -0.504 . . . . 0.0 109.772 -174.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 47.0 t -63.83 -27.73 43.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.43 0.634 . . . . 0.0 109.6 174.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . 0.42 ' HB2' ' HZ1' ' B' ' 64' ' ' LYS . 8.6 mtmp? -61.23 -25.19 66.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.204 178.29 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -66.02 -36.93 84.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.675 0.75 . . . . 0.0 109.983 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' PHE . . . . . 0.477 ' CD2' HG22 ' B' ' 51' ' ' ILE . 38.6 m-85 . . . . . 0 C--N 1.319 -0.725 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.348 -179.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . 0.445 HG21 ' HG2' ' B' ' 109' ' ' ARG . 11.7 m . . . . . 0 N--CA 1.443 -0.775 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . 0.443 ' O ' HD13 ' B' ' 75' ' ' LEU . 0.4 OUTLIER -49.85 91.74 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.94 0 O-C-N 123.92 0.763 . . . . 0.0 112.539 179.745 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 76' ' ' TRP . . . . . 0.559 ' CH2' HD22 ' B' ' 84' ' ' LEU . 64.8 m95 -92.22 109.9 21.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.015 0.436 . . . . 0.0 111.008 176.649 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 77' ' ' THR . . . . . 0.584 ' O ' ' HG3' ' B' ' 81' ' ' GLU . 72.6 p -107.11 164.64 11.98 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.984 177.072 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -53.52 -43.75 67.28 Favored Glycine 0 CA--C 1.519 0.313 0 C-N-CA 121.37 -0.443 . . . . 0.0 112.846 -177.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -64.65 -41.65 95.97 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.661 0.267 . . . . 0.0 110.536 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -69.31 -31.7 70.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.798 -178.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 81' ' ' GLU . . . . . 0.584 ' HG3' ' O ' ' B' ' 77' ' ' THR . 48.0 mt-10 -63.66 -36.76 84.9 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 174.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 20.4 tp -69.7 -42.38 74.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.304 175.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -56.98 -43.57 81.82 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.263 177.273 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . 0.559 HD22 ' CH2' ' B' ' 76' ' ' TRP . 58.2 tp -57.36 -53.06 62.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.945 175.343 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . 0.417 ' O ' ' HG3' ' B' ' 89' ' ' GLU . 0.0 OUTLIER -58.67 -48.68 80.25 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.385 -177.832 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 45.0 mtm180 -61.83 -52.28 64.81 Favored 'General case' 0 C--N 1.333 -0.139 0 C-N-CA 121.206 -0.198 . . . . 0.0 111.426 -177.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 87' ' ' LEU . . . . . 0.46 HD23 HD21 ' B' ' 104' ' ' ASN . 8.8 mp -61.68 -41.32 97.4 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.737 0.303 . . . . 0.0 111.278 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.474 ' O ' ' HB2' ' B' ' 92' ' ' ARG . 27.5 t80 -52.08 -42.76 63.46 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.731 178.507 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . 0.417 ' HG3' ' O ' ' B' ' 85' ' ' GLN . 37.2 mt-10 -80.37 -37.07 33.07 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.81 0.338 . . . . 0.0 110.777 179.203 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -65.97 -41.43 91.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.165 -175.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -99.29 14.52 29.28 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.016 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 92' ' ' ARG . . . . . 0.474 ' HB2' ' O ' ' B' ' 88' ' ' PHE . 44.3 ttt180 -69.89 -27.36 64.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.956 0.408 . . . . 0.0 111.425 -177.281 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -86.78 13.31 9.04 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.096 0.474 . . . . 0.0 111.064 -177.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 78.8 p -104.63 -177.08 3.26 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 177.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -67.21 -41.47 85.73 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.809 0.338 . . . . 0.0 111.458 -176.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 96' ' ' ASP . . . . . 0.437 ' O ' ' HD2' ' B' ' 100' ' ' HIS . 12.7 t0 -140.24 117.01 10.94 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.672 -177.041 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 97' ' ' VAL . . . . . 0.442 ' CG2' ' HA ' ' B' ' 92' ' ' ARG . 46.0 t -70.43 -54.11 19.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.941 0.4 . . . . 0.0 111.141 -178.567 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 7.8 mp -59.07 -39.77 83.12 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.288 -173.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -56.61 -39.31 85.3 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.918 -0.658 . . . . 0.0 111.552 178.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 100' ' ' HIS . . . . . 0.437 ' HD2' ' O ' ' B' ' 96' ' ' ASP . 69.9 m-70 -80.92 -27.28 36.22 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.747 0.308 . . . . 0.0 110.331 -178.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 101' ' ' ILE . . . . . 0.43 HG13 ' O ' ' B' ' 97' ' ' VAL . 53.6 mt -60.48 -61.42 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.525 176.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 2.2 ptp -65.01 -27.44 68.82 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -175.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -72.46 -41.06 66.51 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 121.101 -0.24 . . . . 0.0 111.368 178.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 104' ' ' ASN . . . . . 0.46 HD21 HD23 ' B' ' 87' ' ' LEU . 12.6 t30 -94.96 -13.91 24.9 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 -171.23 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 105' ' ' ILE . . . . . 0.51 HG12 HH21 ' B' ' 109' ' ' ARG . 10.6 tp -90.21 147.74 5.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 C-N-CA 119.933 -0.707 . . . . 0.0 110.958 -177.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 5.2 t -67.91 -21.86 65.11 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 114.64 -1.163 . . . . 0.0 112.147 -174.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 107' ' ' ALA . . . . . 0.497 ' O ' HG21 ' B' ' 105' ' ' ILE . . . -101.37 127.44 48.0 Favored 'General case' 0 CA--C 1.514 -0.413 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 177.118 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -74.44 101.88 4.27 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 178.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 109' ' ' ARG . . . . . 0.51 HH21 HG12 ' B' ' 105' ' ' ILE . 41.8 mtm105 -116.38 121.31 41.53 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.591 -175.297 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 110' ' ' SER . . . . . 0.473 ' O ' HG13 ' B' ' 114' ' ' ILE . 23.8 t -70.63 156.09 39.9 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.549 -176.163 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 31.5 mmm-85 -55.22 -47.64 75.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 114.937 -1.029 . . . . 0.0 111.398 -173.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -61.33 -35.84 78.5 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.068 -174.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.58 -25.16 33.52 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.691 -177.684 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 114' ' ' ILE . . . . . 0.473 HG13 ' O ' ' B' ' 110' ' ' SER . 61.4 mt -71.41 -44.71 71.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 176.053 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 115' ' ' VAL . . . . . . . . . . . . . 33.2 t -55.8 -53.65 35.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.215 177.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -59.45 -38.8 81.69 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.469 -176.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . 0.496 ' O ' HD13 ' B' ' 121' ' ' LEU . 5.8 tmtm? -72.78 -31.65 65.02 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.758 -176.04 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 13.3 mt -61.59 -52.23 65.27 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 121.227 0.537 . . . . 0.0 110.358 173.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -57.49 -34.91 69.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.833 -1.076 . . . . 0.0 110.585 -179.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -70.0 -41.71 73.99 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.223 -0.899 . . . . 0.0 111.171 -178.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 121' ' ' LEU . . . . . 0.496 HD13 ' O ' ' B' ' 117' ' ' LYS . 7.8 mp -69.68 -25.22 63.78 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.956 175.094 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 79.71 30.44 43.98 Favored Glycine 0 N--CA 1.44 -1.092 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 -171.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . 0.413 ' HB3' ' CE1' ' B' ' 88' ' ' PHE . 33.6 mt -74.37 -24.97 59.23 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-O 121.613 0.72 . . . . 0.0 109.099 178.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 124' ' ' VAL . . . . . 0.432 HG23 ' CD2' ' B' ' 130' ' ' LEU . 18.6 m -141.0 172.58 10.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 114.52 -1.218 . . . . 0.0 109.942 177.02 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -116.95 -6.86 11.43 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.259 178.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -161.97 162.87 29.16 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.319 -0.855 . . . . 0.0 109.358 -175.039 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 127' ' ' ARG . . . . . 0.776 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 82.4 mtt180 -77.92 -19.96 53.71 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.269 0.557 . . . . 0.0 110.803 -179.416 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 128' ' ' ARG . . . . . . . . . . . . . 32.6 ttp180 -58.47 -35.74 72.64 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.069 176.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -75.01 -7.09 52.68 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.933 -0.576 . . . . 0.0 112.469 -174.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 130' ' ' LEU . . . . . 0.776 ' HG ' ' O ' ' B' ' 127' ' ' ARG . 0.2 OUTLIER -87.38 2.77 49.4 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.733 0.777 . . . . 0.0 109.134 179.38 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 131' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 . . . . . 0 C--N 1.325 -0.488 0 CA-C-N 114.597 -1.183 . . . . 0.0 108.04 179.533 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 77.6 m95 . . . . . 0 CA--C 1.52 -0.204 0 CA-C-O 120.834 0.35 . . . . 0.0 110.681 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 15.3 t -71.11 148.22 94.04 Favored Pre-proline 0 C--N 1.321 -0.642 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 173.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_exo -43.94 -49.0 8.72 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 123.156 2.57 . . . . 0.0 113.375 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -57.92 -38.19 75.44 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.881 0.372 . . . . 0.0 110.875 178.121 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -72.05 -35.01 69.19 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.289 -177.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -64.28 -44.34 92.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.161 0.505 . . . . 0.0 109.744 174.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . 0.507 ' O ' ' HB2' ' B' ' 19' ' ' GLU . . . -67.06 -29.54 69.35 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.582 177.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.47 ' CE1' ' HB3' ' B' ' 40' ' ' LEU . 19.8 t-160 -74.35 -31.94 62.61 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.583 176.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 24.4 tp -66.86 -41.77 86.79 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 179.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . 0.817 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 15.3 ptm180 -77.4 -32.37 54.75 Favored 'General case' 0 N--CA 1.443 -0.794 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 176.135 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . 0.507 ' HB2' ' O ' ' B' ' 15' ' ' ALA . 6.8 tp10 -51.57 -56.89 10.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.615 0.722 . . . . 0.0 110.509 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.98 -31.44 71.15 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.823 -178.529 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' TYR . . . . . 0.473 ' O ' ' HB3' ' B' ' 25' ' ' LYS . 92.2 t80 -68.27 -46.86 69.26 Favored 'General case' 0 CA--C 1.513 -0.45 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 -179.538 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.817 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 62.1 mt -59.25 -24.64 63.36 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.715 -179.405 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.92 -31.25 35.16 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 -178.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 -127.81 17.85 6.78 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -174.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.514 ' HD3' ' HA ' ' B' ' 22' ' ' LEU . 18.6 pttm -72.22 -35.02 68.77 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -172.285 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -103.49 14.6 30.95 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.86 0.362 . . . . 0.0 111.457 -174.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 45.7 t -87.81 106.43 16.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 173.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -93.16 148.09 22.32 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.162 -175.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 92.84 -8.96 76.19 Favored Glycine 0 N--CA 1.45 -0.424 0 N-CA-C 110.741 -0.944 . . . . 0.0 110.741 -174.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -115.45 149.2 38.43 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.012 -0.594 . . . . 0.0 110.477 178.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -69.45 106.47 2.97 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.032 171.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . 0.675 ' O ' HG12 ' B' ' 36' ' ' ILE . 7.6 p -68.0 -42.92 85.79 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 C-N-CA 119.975 -0.69 . . . . 0.0 109.749 178.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . 0.734 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 11.7 p -67.21 -40.61 85.42 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.492 0 C-N-CA 120.989 -0.284 . . . . 0.0 110.536 -174.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -69.9 -32.44 70.75 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 -178.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . 0.461 ' O ' ' HD2' ' B' ' 39' ' ' HIS . . . -59.47 -41.82 90.61 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.141 0.496 . . . . 0.0 109.954 173.339 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.675 HG12 ' O ' ' B' ' 32' ' ' VAL . 6.8 mm -72.06 -64.79 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.403 -177.678 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.734 ' HG ' ' O ' ' B' ' 33' ' ' VAL . 2.9 pp -63.57 -25.58 68.3 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 -170.083 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . 0.495 ' N ' HD12 ' B' ' 37' ' ' LEU . . . -82.74 -38.75 22.84 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -178.498 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' HIS . . . . . 0.461 ' HD2' ' O ' ' B' ' 35' ' ' ALA . 68.0 m-70 -75.35 -29.48 59.93 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.191 -0.603 . . . . 0.0 110.849 -176.627 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.569 ' HG ' ' O ' ' B' ' 36' ' ' ILE . 0.8 OUTLIER -98.65 80.24 2.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.932 0.873 . . . . 0.0 110.492 172.487 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -82.2 38.52 0.54 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.753 0.787 . . . . 0.0 109.956 179.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' THR . . . . . 0.447 ' H ' ' C ' ' B' ' 40' ' ' LEU . 4.5 t -94.32 -21.44 18.99 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 114.595 -1.184 . . . . 0.0 109.702 -179.09 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 4.8 m -128.04 113.33 20.22 Favored Pre-proline 0 N--CA 1.451 -0.378 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.271 -179.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -77.92 89.5 1.33 Allowed 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 122.138 1.892 . . . . 0.0 111.026 175.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 79.4 mtt-85 -133.02 176.97 8.02 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.473 -173.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' THR . . . . . 0.572 ' OG1' ' HG2' ' B' ' 49' ' ' GLN . 43.2 p -78.7 169.01 18.9 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.013 177.524 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . 0.439 ' O ' HG13 ' B' ' 51' ' ' ILE . 6.0 mmt180 -72.72 -23.99 60.92 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 179.177 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -68.63 -38.39 80.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 114.98 -1.009 . . . . 0.0 111.485 -178.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.572 ' HG2' ' OG1' ' B' ' 46' ' ' THR . 13.9 mm100 -62.54 -46.42 88.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.863 -173.773 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 2.4 mp -63.32 -48.53 86.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 121.101 -0.24 . . . . 0.0 110.648 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . 0.439 HG13 ' O ' ' B' ' 47' ' ' ARG . 70.1 mt -51.85 -46.96 40.95 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-O 121.599 0.714 . . . . 0.0 110.433 178.389 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -65.44 -49.38 69.37 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.899 -1.046 . . . . 0.0 113.038 -172.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' HIS . . . . . 0.412 ' O ' ' HB2' ' B' ' 57' ' ' MET . 70.6 m-70 -61.65 -27.93 69.02 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 118.414 0.552 . . . . 0.0 111.625 -177.361 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 65.1 mt -81.87 -45.44 15.49 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.271 -174.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . 0.452 ' HA ' ' HB2' ' B' ' 60' ' ' ALA . 9.8 m -72.14 -25.64 23.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.189 0.519 . . . . 0.0 110.287 178.495 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -80.69 -18.48 47.79 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.122 177.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.412 ' HB2' ' O ' ' B' ' 53' ' ' HIS . 31.3 ttm -82.97 -8.1 59.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.058 0.456 . . . . 0.0 110.25 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 85.79 -1.6 87.99 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.616 177.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . 0.434 HD11 ' N ' ' B' ' 60' ' ' ALA . 3.9 pp -86.04 -22.97 26.95 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.147 0.499 . . . . 0.0 110.599 -179.509 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . 0.452 ' HB2' ' HA ' ' B' ' 55' ' ' VAL . . . -112.69 163.14 14.91 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.097 175.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -71.89 -66.39 0.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.153 0.501 . . . . 0.0 110.655 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' SER . . . . . 0.44 ' OG ' ' HE3' ' B' ' 64' ' ' LYS . 73.5 p -164.29 177.91 7.93 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.793 -175.684 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 2.5 t -57.02 -36.8 52.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.841 -178.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . 0.44 ' HE3' ' OG ' ' B' ' 62' ' ' SER . 0.0 OUTLIER -64.83 -17.58 64.37 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.168 -174.774 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -73.86 -32.36 63.6 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.112 0.482 . . . . 0.0 110.172 179.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' PHE . . . . . 0.424 ' HD2' ' HB ' ' B' ' 33' ' ' VAL . 1.1 m-85 . . . . . 0 CA--C 1.515 -0.385 0 CA-C-O 121.761 0.791 . . . . 0.0 109.092 176.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.438 -1.066 0 N-CA-C 107.476 -1.305 . . . . 0.0 107.476 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 3.8 pp -48.62 137.51 11.84 Favored 'General case' 0 N--CA 1.463 0.219 0 O-C-N 123.775 0.672 . . . . 0.0 111.84 -166.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 76' ' ' TRP . . . . . 0.506 ' CZ2' ' HG2' ' B' ' 117' ' ' LYS . 56.1 m95 -125.41 142.98 51.2 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.3 -0.863 . . . . 0.0 111.022 -178.104 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 77' ' ' THR . . . . . 0.523 ' O ' ' HG3' ' B' ' 81' ' ' GLU . 79.6 p -125.7 161.67 26.77 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 172.485 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -59.12 -33.86 76.78 Favored Glycine 0 C--O 1.235 0.2 0 C-N-CA 120.516 -0.85 . . . . 0.0 111.767 177.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -72.77 -29.79 63.59 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 120.864 0.364 . . . . 0.0 110.374 177.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -75.88 -34.92 60.02 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 178.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 81' ' ' GLU . . . . . 0.621 ' O ' ' HB2' ' B' ' 85' ' ' GLN . 46.1 mt-10 -60.33 -37.17 79.77 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.782 179.612 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . 0.495 ' O ' ' HG3' ' B' ' 86' ' ' ARG . 4.6 pp -83.8 -24.02 31.19 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.744 176.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -65.16 -57.21 9.13 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 179.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 21.7 tp -69.36 -25.48 64.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.107 179.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . 0.621 ' HB2' ' O ' ' B' ' 81' ' ' GLU . 0.7 OUTLIER -60.04 -54.2 48.77 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.978 176.467 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 86' ' ' ARG . . . . . 0.495 ' HG3' ' O ' ' B' ' 82' ' ' LEU . 47.0 mtp180 -74.16 -39.33 63.33 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.846 -178.685 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 10.2 tp -53.94 -43.18 69.59 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.381 0.61 . . . . 0.0 109.653 176.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.634 ' O ' ' HG3' ' B' ' 92' ' ' ARG . 8.0 t80 -55.8 -58.41 7.96 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.037 -0.983 . . . . 0.0 111.615 175.07 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -58.28 -47.65 82.95 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.976 0.417 . . . . 0.0 111.116 -177.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -53.64 -37.83 63.5 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.152 -0.931 . . . . 0.0 112.334 -176.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 91' ' ' PHE . . . . . 0.405 ' HB2' HG22 ' B' ' 97' ' ' VAL . 68.1 m-85 -105.35 11.86 32.31 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.859 0.688 . . . . 0.0 112.859 -174.563 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 92' ' ' ARG . . . . . 0.634 ' HG3' ' O ' ' B' ' 88' ' ' PHE . 78.4 mtp180 -72.04 -12.07 61.05 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 122.041 0.924 . . . . 0.0 109.008 170.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -69.09 -16.03 63.58 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.109 -1.405 . . . . 0.0 110.105 175.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 13.2 t -105.03 167.96 9.37 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.892 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -67.09 -48.24 68.8 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.316 0.579 . . . . 0.0 111.002 -177.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 52.9 t0 -114.07 99.52 7.7 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 178.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 97' ' ' VAL . . . . . 0.475 ' O ' HG13 ' B' ' 101' ' ' ILE . 9.9 p -67.08 -39.38 83.13 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.59 -178.629 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . 0.568 ' HB2' ' NH1' ' B' ' 111' ' ' ARG . 4.7 mp -70.64 -29.93 66.42 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-O 120.706 0.289 . . . . 0.0 110.609 -175.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -60.53 -46.09 95.05 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.793 -0.718 . . . . 0.0 111.445 174.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 38.1 m-70 -72.85 -35.47 67.25 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 110.124 -0.325 . . . . 0.0 110.124 177.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 101' ' ' ILE . . . . . 0.475 HG13 ' O ' ' B' ' 97' ' ' VAL . 32.2 mt -50.73 -59.46 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 O-C-N 123.429 0.456 . . . . 0.0 110.816 176.122 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 60.3 mtt -58.24 -40.25 81.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.953 -176.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -78.13 -26.19 47.77 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.347 -174.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -109.83 4.38 21.63 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 -173.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 105' ' ' ILE . . . . . 0.424 HG12 ' H ' ' B' ' 107' ' ' ALA . 15.9 tt -109.36 157.89 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.384 0.612 . . . . 0.0 111.074 177.684 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 6.8 t -77.09 -20.46 55.7 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.743 -1.117 . . . . 0.0 111.245 -178.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 107' ' ' ALA . . . . . 0.424 ' H ' HG12 ' B' ' 105' ' ' ILE . . . -98.77 128.16 44.92 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.902 0.382 . . . . 0.0 110.996 -175.711 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 8.4 mmpt? -96.77 103.05 14.94 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 179.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -137.95 -177.79 4.97 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.984 -175.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 22.7 p -97.05 164.26 12.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.893 -174.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 111' ' ' ARG . . . . . 0.568 ' NH1' ' HB2' ' B' ' 98' ' ' LEU . 11.7 mmt180 -63.85 -45.06 91.2 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.664 178.024 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 112' ' ' ALA . . . . . 0.447 ' O ' ' HB2' ' B' ' 116' ' ' ASP . . . -58.74 -29.84 67.04 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.888 -175.383 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 113' ' ' ARG . . . . . 0.489 ' NH2' ' HB3' ' B' ' 116' ' ' ASP . 0.0 OUTLIER -83.73 -30.73 26.48 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 -179.207 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 93.6 mt -76.37 -47.22 30.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 C-N-CA 121.024 -0.27 . . . . 0.0 110.643 179.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 115' ' ' VAL . . . . . 0.514 ' O ' HD23 ' B' ' 119' ' ' LEU . 19.7 m -61.78 -36.16 72.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.057 0.456 . . . . 0.0 110.501 179.609 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 116' ' ' ASP . . . . . 0.489 ' HB3' ' NH2' ' B' ' 113' ' ' ARG . 28.4 t0 -71.03 -34.36 71.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.497 -178.183 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . 0.506 ' HG2' ' CZ2' ' B' ' 76' ' ' TRP . 53.8 tptt -70.78 -38.38 73.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.303 -179.276 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 22.1 mt -59.64 -47.39 85.78 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-O 120.78 0.324 . . . . 0.0 111.006 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 119' ' ' LEU . . . . . 0.514 HD23 ' O ' ' B' ' 115' ' ' VAL . 4.6 mm? -65.98 -28.42 68.88 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.894 -177.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -75.44 -34.67 61.0 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.432 -178.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 121' ' ' LEU . . . . . 0.439 HD13 ' HE3' ' B' ' 117' ' ' LYS . 9.2 mp -78.79 -25.24 44.28 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.642 172.262 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 76.24 35.23 43.72 Favored Glycine 0 N--CA 1.442 -0.938 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 -171.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 42.3 mt -74.37 -21.98 59.41 Favored 'General case' 0 CA--C 1.513 -0.452 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 176.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 124' ' ' VAL . . . . . 0.525 HG22 HD23 ' B' ' 130' ' ' LEU . 15.5 m -146.06 178.54 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 113.952 -1.476 . . . . 0.0 108.714 174.674 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -116.81 -7.61 11.44 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.004 0.43 . . . . 0.0 110.752 179.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 126' ' ' GLU . . . . . 0.454 ' OE1' ' HD2' ' B' ' 128' ' ' ARG . 11.1 pt-20 -161.87 162.41 29.27 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.097 -176.288 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 127' ' ' ARG . . . . . 0.61 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 0.8 OUTLIER -78.73 -21.52 47.9 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.449 179.237 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 128' ' ' ARG . . . . . 0.454 ' HD2' ' OE1' ' B' ' 126' ' ' GLU . 36.1 mtt180 -60.71 -29.52 69.4 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.273 0.559 . . . . 0.0 110.726 -176.366 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -83.45 -7.41 59.56 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.417 -0.811 . . . . 0.0 111.773 -174.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 130' ' ' LEU . . . . . 0.61 ' HG ' ' O ' ' B' ' 127' ' ' ARG . 0.2 OUTLIER -91.3 -11.77 37.05 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.009 0.433 . . . . 0.0 109.881 -179.51 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 131' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 . . . . . 0 C--N 1.329 -0.287 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 179.017 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' TRP . . . . . 0.484 ' CZ3' ' HG2' ' B' ' 13' ' ' GLU . 73.1 m95 . . . . . 0 N--CA 1.451 -0.391 0 CA-C-O 121.052 0.453 . . . . 0.0 111.661 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 74.8 p -90.35 157.44 44.86 Favored Pre-proline 0 C--N 1.318 -0.775 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 174.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_exo -56.65 -20.9 36.52 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.364 2.043 . . . . 0.0 111.771 176.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -83.17 -46.87 12.21 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.276 -179.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.484 ' HG2' ' CZ3' ' B' ' 9' ' ' TRP . 21.7 tt0 -65.18 -40.13 93.83 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.372 -178.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . 0.503 ' O ' ' HB2' ' B' ' 17' ' ' LEU . 46.5 mt-10 -67.29 -37.8 83.98 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.031 179.034 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.19 -36.15 83.12 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-O 121.039 0.447 . . . . 0.0 110.495 179.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.432 ' HA ' ' HB3' ' B' ' 19' ' ' GLU . 5.5 t-160 -63.22 -29.39 70.74 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.666 177.287 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.503 ' HB2' ' O ' ' B' ' 14' ' ' GLU . 72.8 mt -58.61 -61.09 2.86 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-O 120.9 0.381 . . . . 0.0 110.04 174.304 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . 0.695 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 13.8 ptm180 -65.84 -31.18 71.99 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.03 178.41 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . 0.432 ' HB3' ' HA ' ' B' ' 16' ' ' HIS . 12.6 tp10 -51.55 -57.49 8.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.835 0.826 . . . . 0.0 110.119 177.535 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.61 -28.06 62.55 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.799 -1.091 . . . . 0.0 111.653 -177.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 44.7 t80 -73.37 -52.31 14.25 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.262 -177.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.695 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 55.6 mt -59.56 -26.9 65.76 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.555 -178.759 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.35 -56.8 4.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.726 176.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 -85.93 -8.83 57.74 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 -171.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 14.8 ptmm? -70.7 -13.65 62.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.123 0.487 . . . . 0.0 110.222 179.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -75.54 -15.69 60.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.303 0.573 . . . . 0.0 110.06 178.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 34.6 t -91.0 111.1 23.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.129 -179.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -84.48 128.25 34.48 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.881 -176.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.0 3.14 65.91 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.505 177.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -103.63 146.65 28.25 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.733 0.302 . . . . 0.0 110.98 179.04 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -64.67 94.49 0.12 Allowed 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.47 170.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . 0.432 ' O ' HG13 ' B' ' 36' ' ' ILE . 6.4 p -69.08 -31.17 49.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 176.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . 0.621 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 1.0 OUTLIER -55.45 -51.25 59.14 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.302 0 CA-C-N 114.74 -1.118 . . . . 0.0 110.116 178.814 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.401 ' N ' HG22 ' B' ' 33' ' ' VAL . 34.2 tt0 -71.54 -42.38 67.97 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.14 -174.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.55 -45.18 37.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.262 0.553 . . . . 0.0 111.006 178.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.436 HG23 ' CD1' ' B' ' 40' ' ' LEU . 58.1 mt -71.37 -63.58 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.18 -177.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.621 ' HG ' ' O ' ' B' ' 33' ' ' VAL . 3.7 pp -61.69 -19.79 62.75 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 -173.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -80.16 -41.22 25.76 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.49 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 31.1 m-70 -79.25 -21.51 46.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.112 0.482 . . . . 0.0 109.709 -178.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.436 ' CD1' HG23 ' B' ' 36' ' ' ILE . 58.5 mt -76.82 81.1 3.41 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.665 176.365 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -106.94 38.32 2.13 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.809 0.814 . . . . 0.0 109.249 177.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 9.1 t -103.97 -20.67 13.8 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.144 176.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . 0.492 HG23 ' NE ' ' B' ' 45' ' ' ARG . 7.4 p -141.32 128.67 11.83 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.99 -173.352 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -72.38 88.54 0.86 Allowed 'Trans proline' 0 N--CA 1.462 -0.363 0 C-N-CA 122.186 1.924 . . . . 0.0 111.784 175.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . 0.492 ' NE ' HG23 ' B' ' 43' ' ' VAL . 35.8 mmt180 -109.28 171.02 7.68 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.186 179.707 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 26.8 p -98.29 165.77 11.71 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 165.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . 0.497 ' O ' HD13 ' B' ' 51' ' ' ILE . 0.1 OUTLIER -62.69 -35.51 79.94 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.009 0.433 . . . . 0.0 109.94 -178.539 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -52.64 -39.23 61.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.719 179.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -65.78 -49.55 67.94 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.744 -172.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 2.3 mp -60.42 -51.22 75.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 C-N-CA 121.146 -0.222 . . . . 0.0 111.214 -176.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . 0.497 HD13 ' O ' ' B' ' 47' ' ' ARG . 2.4 mp -55.73 -46.94 79.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-O 121.209 0.528 . . . . 0.0 110.579 178.714 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -63.73 -50.38 69.33 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.474 -0.785 . . . . 0.0 112.28 -175.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' HIS . . . . . 0.464 ' O ' ' HB2' ' B' ' 57' ' ' MET . 51.7 m-70 -61.88 -23.7 66.46 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -176.754 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 30.1 mt -82.79 -50.33 8.78 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.975 -176.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . 0.488 ' HA ' ' HB3' ' B' ' 60' ' ' ALA . 6.9 m -70.93 -24.61 24.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.249 0.547 . . . . 0.0 110.168 -179.384 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -83.03 -17.18 44.24 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.987 176.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.464 ' HB2' ' O ' ' B' ' 53' ' ' HIS . 34.0 ttm -80.24 -8.99 59.71 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.137 0.494 . . . . 0.0 110.1 176.664 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 86.49 -2.59 87.41 Favored Glycine 0 N--CA 1.452 -0.247 0 CA-C-N 115.895 -0.593 . . . . 0.0 112.889 175.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . 0.506 HD12 ' N ' ' B' ' 60' ' ' ALA . 3.2 pp -84.67 -24.41 29.02 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.633 0.254 . . . . 0.0 110.756 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . 0.506 ' N ' HD12 ' B' ' 59' ' ' LEU . . . -108.69 157.22 18.74 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.743 176.567 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -62.32 -66.1 0.59 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.247 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 20.3 p -164.53 177.23 8.28 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.974 -176.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 2.1 t -53.03 -33.37 19.55 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.505 178.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 19.4 mtmm -71.18 -13.22 61.86 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.232 -0.894 . . . . 0.0 111.836 -172.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -77.3 -19.4 56.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.896 0.855 . . . . 0.0 109.455 178.388 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' PHE . . . . . 0.493 ' CD1' HG13 ' B' ' 51' ' ' ILE . 19.5 m-85 . . . . . 0 C--N 1.326 -0.452 0 CA-C-N 114.769 -1.105 . . . . 0.0 109.755 178.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 5.8 m . . . . . 0 N--CA 1.434 -1.236 0 N-CA-C 107.365 -1.346 . . . . 0.0 107.365 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -48.14 89.42 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 113.272 0.841 . . . . 0.0 113.272 -166.497 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 76' ' ' TRP . . . . . 0.508 ' HA ' HE21 ' B' ' 80' ' ' GLN . 81.9 m95 -84.1 108.11 16.84 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 121.537 0.684 . . . . 0.0 110.498 -178.076 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 42.6 p -115.84 177.63 4.61 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 114.908 -1.042 . . . . 0.0 108.754 176.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.43 -32.31 64.15 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.217 -0.992 . . . . 0.0 110.982 172.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . 0.51 ' O ' ' HG3' ' B' ' 83' ' ' GLU . 1.4 m-20 -62.08 -61.67 2.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.233 -0.483 . . . . 0.0 110.517 176.189 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 80' ' ' GLN . . . . . 0.508 HE21 ' HA ' ' B' ' 76' ' ' TRP . 7.8 tt0 -64.63 -28.16 69.43 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.686 -176.272 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -59.75 -48.4 81.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.589 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . 0.401 HD12 ' N ' ' B' ' 83' ' ' GLU . 4.6 pp -77.16 -26.36 52.94 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.837 179.736 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . 0.51 ' HG3' ' O ' ' B' ' 79' ' ' ASP . 55.5 mt-10 -61.31 -44.82 96.56 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 120.983 0.421 . . . . 0.0 109.962 175.649 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 40.7 tp -64.61 -46.56 82.1 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.139 176.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -54.6 -51.3 65.75 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.201 -179.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 41.8 mtm105 -59.77 -52.11 66.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.237 -178.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 41.1 mt -63.09 -37.45 87.26 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.691 0.281 . . . . 0.0 111.262 -177.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.625 ' O ' ' HB2' ' B' ' 92' ' ' ARG . 34.9 t80 -53.2 -46.59 69.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.544 175.688 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -80.56 -31.84 36.78 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.295 -178.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -71.96 -33.97 68.61 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -174.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -113.18 15.72 19.34 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.819 0.342 . . . . 0.0 110.767 179.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 92' ' ' ARG . . . . . 0.625 ' HB2' ' O ' ' B' ' 88' ' ' PHE . 39.1 ttt180 -65.44 -22.63 66.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.776 -174.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -75.87 0.39 18.36 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.586 -179.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 9.5 t -105.15 147.16 28.27 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 176.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -59.84 -45.07 93.55 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.974 0.416 . . . . 0.0 111.625 -174.084 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -107.25 79.28 1.29 Allowed 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 175.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 97' ' ' VAL . . . . . 0.586 ' O ' HG13 ' B' ' 101' ' ' ILE . 2.3 p -64.14 -35.3 73.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.888 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . 0.568 ' O ' ' HG2' ' B' ' 102' ' ' MET . 5.5 mp -61.01 -38.51 86.3 Favored 'General case' 0 CA--C 1.517 -0.319 0 N-CA-C 111.518 0.192 . . . . 0.0 111.518 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -55.14 -40.55 74.98 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.963 -0.637 . . . . 0.0 111.887 177.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -78.46 -33.72 48.19 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 -179.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 101' ' ' ILE . . . . . 0.586 HG13 ' O ' ' B' ' 97' ' ' VAL . 65.4 mt -57.34 -64.03 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.676 177.123 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 102' ' ' MET . . . . . 0.568 ' HG2' ' O ' ' B' ' 98' ' ' LEU . 11.6 ptp -68.21 -15.22 63.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.744 -175.558 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -81.56 -48.93 11.15 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 121.119 -0.232 . . . . 0.0 110.995 178.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -94.29 -2.32 52.47 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 -169.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 105' ' ' ILE . . . . . 0.531 HG12 ' NH2' ' B' ' 109' ' ' ARG . 10.5 tp -91.54 156.8 2.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 C-N-CA 120.484 -0.487 . . . . 0.0 110.447 178.539 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 106' ' ' THR . . . . . 0.438 ' N ' HG13 ' B' ' 105' ' ' ILE . 13.7 t -65.82 -34.23 77.69 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.468 -0.787 . . . . 0.0 112.02 -175.417 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 107' ' ' ALA . . . . . 0.464 ' O ' HG21 ' B' ' 105' ' ' ILE . . . -97.98 126.53 43.44 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 178.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 108' ' ' LYS . . . . . 0.41 ' HE3' ' O ' ' B' ' 105' ' ' ILE . 0.1 OUTLIER -79.93 101.08 8.39 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 177.513 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 109' ' ' ARG . . . . . 0.531 ' NH2' HG12 ' B' ' 105' ' ' ILE . 35.5 mtt180 -100.66 164.14 12.01 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.653 -177.007 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 2.9 p -98.79 168.63 10.01 Favored 'General case' 0 C--N 1.311 -1.065 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.961 175.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 12.4 mmt85 -65.25 -42.87 92.85 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.865 -175.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.59 -27.38 66.24 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.432 179.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 113' ' ' ARG . . . . . 0.633 ' NE ' ' HA ' ' B' ' 113' ' ' ARG . 2.7 mmp_? -82.78 -32.78 27.58 Favored 'General case' 0 CA--C 1.509 -0.605 0 CA-C-O 120.978 0.418 . . . . 0.0 111.497 -179.041 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 67.7 mt -83.03 -43.7 18.55 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.922 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.078 -177.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 115' ' ' VAL . . . . . 0.46 ' HB ' ' HG2' ' B' ' 127' ' ' ARG . 25.8 m -64.18 -39.73 86.54 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.194 0 CA-C-O 120.816 0.341 . . . . 0.0 110.628 -179.44 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -67.0 -43.61 82.49 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.636 -177.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 58.5 tptt -67.62 -31.77 72.03 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.25 0.548 . . . . 0.0 109.763 179.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . 0.522 HD23 ' CE1' ' B' ' 88' ' ' PHE . 3.6 tp -65.33 -40.73 94.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.612 178.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 119' ' ' LEU . . . . . 0.427 HD23 ' N ' ' B' ' 119' ' ' LEU . 3.1 mt -67.66 -24.46 65.44 Favored 'General case' 0 N--CA 1.462 0.132 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.75 -45.26 29.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.346 -177.02 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 11.1 mp -63.37 -24.66 67.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.371 0.605 . . . . 0.0 109.519 171.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 68.78 34.24 77.33 Favored Glycine 0 N--CA 1.439 -1.118 0 CA-C-N 114.964 -1.016 . . . . 0.0 111.337 -176.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . 0.46 HD11 ' CD2' ' B' ' 88' ' ' PHE . 70.2 mt -68.75 -22.62 64.3 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 122.225 1.012 . . . . 0.0 108.326 171.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 124' ' ' VAL . . . . . 0.517 HG21 ' CD2' ' B' ' 130' ' ' LEU . 19.2 m -137.94 169.35 18.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 113.739 -1.573 . . . . 0.0 109.382 175.784 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -105.97 -6.15 19.04 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.436 178.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 126' ' ' GLU . . . . . 0.414 ' CD ' ' HB3' ' B' ' 128' ' ' ARG . 10.7 pt-20 -170.12 173.76 5.75 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 -174.747 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 127' ' ' ARG . . . . . 0.526 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 35.4 mtp180 -78.8 -21.83 47.2 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -177.574 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 128' ' ' ARG . . . . . 0.414 ' HB3' ' CD ' ' B' ' 126' ' ' GLU . 3.1 ttm-85 -65.1 -34.52 78.6 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 112.681 0.622 . . . . 0.0 112.681 -176.161 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -67.24 -35.21 79.09 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 111.779 0.288 . . . . 0.0 111.779 -174.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 130' ' ' LEU . . . . . 0.526 ' HG ' ' O ' ' B' ' 127' ' ' ARG . 0.1 OUTLIER -82.16 15.35 2.41 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -173.235 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 131' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 . . . . . 0 C--N 1.324 -0.532 0 CA-C-O 121.195 0.521 . . . . 0.0 109.595 174.652 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 98.2 m95 . . . . . 0 N--CA 1.449 -0.511 0 CA-C-O 120.723 0.297 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 43.1 t -77.44 151.9 80.87 Favored Pre-proline 0 C--N 1.314 -0.936 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 166.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -49.42 -34.75 33.84 Favored 'Trans proline' 0 C--O 1.237 0.438 0 C-N-CA 122.273 1.982 . . . . 0.0 112.353 176.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -75.54 -23.84 56.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.904 178.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.586 ' CD ' HG23 ' B' ' 42' ' ' THR . 8.6 tp10 -72.83 -30.41 64.0 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -67.62 -38.29 83.71 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.443 174.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . 0.44 ' O ' ' HB2' ' B' ' 19' ' ' GLU . . . -69.44 -32.38 71.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.453 175.766 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.544 ' HA ' ' CB ' ' B' ' 19' ' ' GLU . 11.6 t-160 -76.36 -20.1 57.53 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.036 175.518 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -74.29 -47.17 36.51 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . 0.714 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 34.8 ptt180 -69.84 -29.84 67.19 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 172.663 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . 0.544 ' CB ' ' HA ' ' B' ' 16' ' ' HIS . 7.5 tp10 -54.08 -47.61 71.53 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.67 -177.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.415 HD21 ' ND2' ' B' ' 24' ' ' ASN . 0.3 OUTLIER -76.22 -30.08 57.82 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.536 -178.913 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -69.08 -51.46 38.53 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.003 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.714 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 49.9 mt -61.19 -31.49 71.25 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.908 -177.626 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.57 -23.73 49.93 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.085 -177.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' ASN . . . . . 0.415 ' ND2' HD21 ' B' ' 20' ' ' LEU . 35.7 m-80 -123.42 16.91 9.74 Favored 'General case' 0 N--CA 1.462 0.167 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -176.613 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -85.75 -13.64 47.71 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.93 0.395 . . . . 0.0 111.088 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -102.05 -2.02 30.44 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.649 -173.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 2.7 p -90.55 109.68 21.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.491 0.662 . . . . 0.0 110.154 176.015 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -89.24 149.24 23.18 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.58 -177.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.42 8.61 77.36 Favored Glycine 0 N--CA 1.451 -0.351 0 N-CA-C 110.742 -0.943 . . . . 0.0 110.742 -174.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . 0.406 ' HG2' ' N ' ' B' ' 31' ' ' ASP . 0.1 OUTLIER -122.92 159.11 28.94 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.938 -0.631 . . . . 0.0 110.151 -177.831 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . 0.601 ' OD1' HG23 ' B' ' 33' ' ' VAL . 10.5 t70 -93.53 114.52 26.9 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 173.314 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 9.4 p -70.78 -34.16 55.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.733 0.301 . . . . 0.0 111.225 -173.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . 0.601 HG23 ' OD1' ' B' ' 31' ' ' ASP . 1.3 m -77.09 -36.55 24.87 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.541 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 -176.047 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -62.74 -28.33 69.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.796 176.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . 0.539 ' O ' ' HD2' ' B' ' 39' ' ' HIS . . . -68.86 -51.07 44.33 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.776 177.779 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 22.9 mt -67.68 -54.29 24.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.671 -178.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.467 HD21 HD12 ' B' ' 50' ' ' ILE . 34.6 mt -44.52 -42.6 7.32 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 123.897 0.748 . . . . 0.0 112.205 -178.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -89.27 -28.94 19.56 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 -169.165 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' HIS . . . . . 0.539 ' HD2' ' O ' ' B' ' 35' ' ' ALA . 67.6 m-70 -86.8 -28.81 22.72 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 -168.527 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.529 ' HG ' HH22 ' B' ' 45' ' ' ARG . 1.3 pt? -119.72 97.28 5.55 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 122.025 0.917 . . . . 0.0 111.7 -177.02 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 49.3 m-80 -89.9 40.68 1.01 Allowed 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.547 -0.752 . . . . 0.0 110.496 -178.19 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' THR . . . . . 0.586 HG23 ' CD ' ' B' ' 13' ' ' GLU . 1.8 t -81.29 -28.83 34.48 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.092 -0.958 . . . . 0.0 112.503 -175.052 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . 0.684 HG13 ' CZ ' ' B' ' 45' ' ' ARG . 0.1 OUTLIER -142.02 145.2 35.1 Favored Pre-proline 0 C--N 1.323 -0.551 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 -178.672 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . 0.415 ' HD2' HG23 ' B' ' 43' ' ' VAL . 59.4 Cg_endo -67.48 105.2 1.02 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 C-N-CA 122.453 2.102 . . . . 0.0 112.554 -171.365 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . 0.684 ' CZ ' HG13 ' B' ' 43' ' ' VAL . 0.8 OUTLIER -103.57 135.1 45.78 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.724 0.773 . . . . 0.0 112.75 -171.418 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 25.4 p -90.48 171.49 9.38 Favored 'General case' 0 C--N 1.308 -1.209 0 N-CA-C 106.68 -1.6 . . . . 0.0 106.68 154.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -58.59 -40.89 84.49 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.654 0.74 . . . . 0.0 109.656 175.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.407 ' HE2' ' HB3' ' B' ' 48' ' ' LYS . 22.3 ttpt -59.48 -33.54 71.44 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.578 -1.192 . . . . 0.0 112.398 178.6 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.452 HE22 ' CG2' ' B' ' 43' ' ' VAL . 0.0 OUTLIER -52.18 -61.93 1.95 Allowed 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -175.553 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . 0.467 HD12 HD21 ' B' ' 37' ' ' LEU . 2.2 mp -65.2 -45.11 94.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.955 -178.072 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . 0.499 HG23 HG11 ' B' ' 63' ' ' VAL . 90.6 mt -51.64 -49.18 35.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-O 121.196 0.522 . . . . 0.0 111.423 -178.286 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 1.9 m170 -61.45 -50.77 71.43 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.356 -0.838 . . . . 0.0 112.032 -176.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' HIS . . . . . 0.648 ' O ' ' HB2' ' B' ' 57' ' ' MET . 62.5 m-70 -66.93 -22.2 65.95 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.621 -0.432 . . . . 0.0 111.491 -174.458 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . 0.462 HD22 HD13 ' B' ' 59' ' ' LEU . 40.5 mt -75.99 -50.6 14.41 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.014 0.435 . . . . 0.0 110.24 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 19.2 m -69.56 -31.85 50.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.145 0.498 . . . . 0.0 110.226 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -74.22 -18.79 60.7 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.938 177.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.648 ' HB2' ' O ' ' B' ' 53' ' ' HIS . 16.3 ttm -85.51 -4.37 59.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.2 0.524 . . . . 0.0 110.158 -179.419 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 79.88 2.62 88.71 Favored Glycine 0 N--CA 1.453 -0.221 0 CA-C-N 115.79 -0.641 . . . . 0.0 112.793 176.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . 0.462 HD13 HD22 ' B' ' 54' ' ' LEU . 4.2 pp -93.5 -16.49 24.42 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.902 0.382 . . . . 0.0 110.642 -179.344 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -121.64 160.62 24.05 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.717 176.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -74.36 -68.28 0.54 Allowed 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.273 0.471 . . . . 0.0 112.273 -177.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 22.0 m -157.15 162.88 39.37 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.039 0.447 . . . . 0.0 111.142 -173.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 63' ' ' VAL . . . . . 0.499 HG11 HG23 ' B' ' 51' ' ' ILE . 39.5 t -66.81 -20.61 27.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.73 175.53 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . 0.45 ' HB3' ' HZ3' ' B' ' 64' ' ' LYS . 0.1 OUTLIER -44.05 -50.5 8.39 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.57 -1.195 . . . . 0.0 112.248 172.802 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -87.35 -6.59 58.42 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.907 -1.042 . . . . 0.0 111.567 -168.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 66' ' ' PHE . . . . . 0.441 ' CG ' HG21 ' B' ' 51' ' ' ILE . 10.8 m-85 . . . . . 0 C--N 1.325 -0.459 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.526 175.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . 0.579 ' O ' ' HD1' ' B' ' 76' ' ' TRP . 0.2 OUTLIER . . . . . 0 C--O 1.221 -0.421 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . 0.59 ' O ' ' HG ' ' B' ' 75' ' ' LEU . 2.6 pt? -55.72 94.9 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 121.83 0.824 . . . . 0.0 110.81 179.474 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 76' ' ' TRP . . . . . 0.579 ' HD1' ' O ' ' B' ' 74' ' ' VAL . 12.1 m95 -81.3 110.29 16.61 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.166 -179.441 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 28.8 p -101.93 176.17 5.3 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.151 177.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -58.2 -41.54 94.85 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 121.255 -0.498 . . . . 0.0 112.847 -177.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . 0.655 ' O ' ' HG3' ' B' ' 83' ' ' GLU . 8.0 p-10 -65.93 -47.03 76.07 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.599 -0.148 . . . . 0.0 110.599 179.214 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -62.56 -39.23 92.97 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 121.003 0.43 . . . . 0.0 111.05 -179.337 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -66.59 -39.39 88.38 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.777 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -66.56 -43.21 85.67 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.185 176.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . 0.655 ' HG3' ' O ' ' B' ' 79' ' ' ASP . 86.1 mt-10 -56.35 -60.4 3.57 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.364 0.602 . . . . 0.0 111.578 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . 0.495 HD11 ' O ' ' B' ' 84' ' ' LEU . 2.7 tp -77.84 -25.54 48.8 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.605 -168.274 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . 0.603 ' O ' ' HG3' ' B' ' 89' ' ' GLU . 28.8 tt0 -61.75 -45.16 95.12 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.036 177.506 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -77.11 -43.95 32.29 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.488 -178.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 6.8 tp -59.13 -41.81 89.13 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.141 -177.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -56.99 -49.9 74.34 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.785 176.087 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . 0.603 ' HG3' ' O ' ' B' ' 85' ' ' GLN . 51.7 mt-10 -58.03 -38.15 75.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.147 0.499 . . . . 0.0 111.206 -178.481 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -75.63 -39.86 57.16 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.471 -0.786 . . . . 0.0 112.058 -172.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -92.7 13.17 20.9 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 -173.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 18.4 mtm180 -68.69 -16.07 63.71 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 121.62 0.724 . . . . 0.0 109.472 174.22 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -69.97 -17.53 63.31 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.646 -1.161 . . . . 0.0 111.346 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 53.5 p -103.96 157.09 17.34 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 121.081 -0.248 . . . . 0.0 110.634 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -61.14 -30.99 70.72 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 -171.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -130.39 100.29 5.31 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.091 0.472 . . . . 0.0 109.951 176.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 97' ' ' VAL . . . . . 0.677 ' O ' HG12 ' B' ' 101' ' ' ILE . 9.7 p -65.77 -45.08 92.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.427 -175.371 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . 0.49 ' HB2' ' NH1' ' B' ' 111' ' ' ARG . 4.5 mp -69.33 -30.14 68.12 Favored 'General case' 0 CA--C 1.522 -0.131 0 CA-C-O 120.457 0.17 . . . . 0.0 111.248 -173.549 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 99' ' ' GLY . . . . . 0.495 ' O ' ' HG2' ' B' ' 103' ' ' LYS . . . -61.8 -43.22 99.52 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.459 -0.877 . . . . 0.0 111.113 175.689 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -73.29 -26.83 61.24 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.888 0.375 . . . . 0.0 110.004 178.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 101' ' ' ILE . . . . . 0.677 HG12 ' O ' ' B' ' 97' ' ' VAL . 37.4 mm -59.03 -62.1 1.16 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.26 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.578 175.524 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 102' ' ' MET . . . . . 0.623 ' HE2' ' O ' ' B' ' 109' ' ' ARG . 56.3 mtt -56.52 -37.38 70.35 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.406 -174.459 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 103' ' ' LYS . . . . . 0.495 ' HG2' ' O ' ' B' ' 99' ' ' GLY . 75.2 mmtt -72.87 -36.83 67.47 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.213 -177.779 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -88.74 -27.6 21.07 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 -174.144 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 105' ' ' ILE . . . . . 0.511 HG23 ' O ' ' B' ' 101' ' ' ILE . 11.2 tp -91.68 157.33 2.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.617 0.722 . . . . 0.0 111.32 -176.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 106' ' ' THR . . . . . 0.425 ' N ' HG13 ' B' ' 105' ' ' ILE . 12.1 t -74.2 -33.23 63.34 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 114.984 -1.007 . . . . 0.0 112.218 -174.41 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -99.96 129.88 46.08 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 122.196 -0.315 . . . . 0.0 111.085 -177.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.11 101.12 7.72 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.173 0.511 . . . . 0.0 109.7 175.539 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 109' ' ' ARG . . . . . 0.623 ' O ' ' HE2' ' B' ' 102' ' ' MET . 58.2 mtt180 -110.25 121.02 44.3 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.536 -177.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 1.2 m -60.01 157.29 13.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 123.668 0.605 . . . . 0.0 111.475 -175.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 111' ' ' ARG . . . . . 0.49 ' NH1' ' HB2' ' B' ' 98' ' ' LEU . 12.2 mmt180 -54.05 -46.97 72.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.542 -177.503 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.82 -24.37 67.72 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.481 -177.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 113' ' ' ARG . . . . . 0.487 ' HD3' HG13 ' B' ' 74' ' ' VAL . 39.8 mtt180 -75.96 -50.03 16.06 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 178.483 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 62.9 mt -60.28 -54.96 27.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.848 -178.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 115' ' ' VAL . . . . . 0.541 ' O ' HD23 ' B' ' 119' ' ' LEU . 19.0 m -64.39 -36.95 78.7 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.25 -174.253 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -67.55 -32.38 73.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.695 0.283 . . . . 0.0 110.695 179.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 23.9 tptp -79.99 -33.58 39.24 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.085 -179.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 1.7 mp -59.45 -48.44 81.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.048 0.452 . . . . 0.0 110.752 176.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 119' ' ' LEU . . . . . 0.541 HD23 ' O ' ' B' ' 115' ' ' VAL . 4.4 mm? -63.06 -33.11 74.73 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.601 178.327 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.14 -30.74 58.28 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.045 -177.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 98.5 mt -79.35 -24.33 42.79 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.317 0.579 . . . . 0.0 110.245 174.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 79.36 34.64 31.87 Favored Glycine 0 N--CA 1.442 -0.952 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 -174.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 66.6 mt -79.83 -26.91 40.31 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-O 121.52 0.676 . . . . 0.0 109.427 178.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 124' ' ' VAL . . . . . 0.522 HG23 ' CD2' ' B' ' 130' ' ' LEU . 30.4 m -140.42 162.31 24.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 114.476 -1.238 . . . . 0.0 109.582 176.734 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -95.98 -7.39 36.56 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.368 178.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -175.0 174.9 2.4 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.426 -174.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 127' ' ' ARG . . . . . 0.586 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 46.2 mtm180 -78.28 -26.41 47.07 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 -176.008 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 128' ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 -61.42 -27.86 68.85 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 120.888 0.375 . . . . 0.0 111.005 -176.051 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -68.5 -26.97 65.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.532 -175.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 130' ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' B' ' 127' ' ' ARG . 0.1 OUTLIER -100.16 16.29 24.64 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.493 -177.623 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 131' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 . . . . . 0 C--N 1.32 -0.703 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 174.151 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' TRP . . . . . 0.746 ' HZ2' ' NH1' ' B' ' 45' ' ' ARG . 96.4 m95 . . . . . 0 C--O 1.234 0.283 0 N-CA-C 113.196 0.813 . . . . 0.0 113.196 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' SER . . . . . 0.403 ' OG ' ' HB2' ' B' ' 13' ' ' GLU . 5.2 p -127.15 163.03 44.5 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 114.282 -1.326 . . . . 0.0 109.484 175.052 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -49.86 -55.11 4.44 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 122.898 2.398 . . . . 0.0 113.814 -175.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -62.62 -38.66 91.09 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.364 0.602 . . . . 0.0 110.057 -179.208 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.465 ' HG2' ' CZ3' ' B' ' 9' ' ' TRP . 35.0 tt0 -59.09 -44.41 91.92 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.035 -0.984 . . . . 0.0 111.614 -173.467 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -74.38 -25.39 59.46 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.764 0.316 . . . . 0.0 111.113 178.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.29 -39.66 74.75 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.376 0.608 . . . . 0.0 109.6 174.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.455 ' HA ' ' CB ' ' B' ' 19' ' ' GLU . 21.4 t-160 -66.97 -26.16 66.68 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.166 -0.924 . . . . 0.0 110.237 174.525 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.467 HD13 HG23 ' B' ' 50' ' ' ILE . 37.4 tp -65.4 -48.81 71.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.411 0.624 . . . . 0.0 109.334 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . 0.781 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 37.5 ptt180 -75.48 -30.58 59.95 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 115.657 -0.702 . . . . 0.0 109.408 176.248 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . 0.455 ' CB ' ' HA ' ' B' ' 16' ' ' HIS . 10.3 tp10 -51.69 -53.48 38.66 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.853 0.835 . . . . 0.0 110.26 179.189 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.39 -31.0 69.1 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.825 -1.079 . . . . 0.0 111.342 -177.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 57.1 t80 -67.8 -49.69 60.94 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.173 179.052 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.781 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 53.3 mt -57.98 -25.16 60.67 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.386 -0.824 . . . . 0.0 111.183 -178.683 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.99 -52.39 7.89 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.973 0.416 . . . . 0.0 111.815 178.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -90.64 -4.19 56.98 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 113.01 0.745 . . . . 0.0 113.01 -169.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -62.91 -24.14 67.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.132 0.491 . . . . 0.0 110.65 178.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -75.03 -22.61 58.34 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.031 -177.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 17.5 t -78.98 107.39 11.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.22 -0.445 . . . . 0.0 109.866 -177.172 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -87.11 139.83 30.17 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.367 -177.179 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.29 -0.0 80.64 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.841 -0.695 . . . . 0.0 111.556 -178.263 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . 0.406 ' NE2' ' HB2' ' B' ' 35' ' ' ALA . 23.0 tt0 -108.31 145.36 34.54 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.139 0.495 . . . . 0.0 111.121 178.588 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -69.14 102.79 1.74 Allowed 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 167.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . 0.447 HG12 ' O ' ' B' ' 66' ' ' PHE . 7.9 p -70.47 -26.55 29.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.515 -176.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . 0.72 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 0.3 OUTLIER -63.7 -51.83 65.08 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.536 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 -179.402 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.594 ' HA ' ' CD1' ' B' ' 37' ' ' LEU . 37.6 mt-10 -60.1 -33.65 72.4 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.885 178.056 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . 0.406 ' HB2' ' NE2' ' B' ' 30' ' ' GLN . . . -57.32 -45.85 83.82 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.425 0.631 . . . . 0.0 109.815 174.345 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.559 ' O ' ' HG ' ' B' ' 40' ' ' LEU . 35.6 mt -70.6 -64.16 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.216 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.72 ' HG ' ' O ' ' B' ' 33' ' ' VAL . 2.3 pp -65.39 -23.92 67.09 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 -169.601 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . 0.449 ' N ' HD11 ' B' ' 37' ' ' LEU . . . -89.17 -33.17 17.13 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -178.285 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 37.8 m-70 -75.77 -29.68 58.87 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.44 -0.504 . . . . 0.0 110.942 -177.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.578 ' O ' HD11 ' B' ' 40' ' ' LEU . 2.0 pp -97.2 127.36 43.09 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 120.289 -0.564 . . . . 0.0 110.463 172.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' ASN . . . . . 0.496 HD21 ' H ' ' B' ' 41' ' ' ASN . 0.1 OUTLIER -109.54 37.03 2.74 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.833 0.825 . . . . 0.0 109.36 177.31 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 9.0 t -88.56 -33.72 17.62 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.963 -1.017 . . . . 0.0 110.827 -176.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . 0.439 HG13 ' CH2' ' B' ' 9' ' ' TRP . 14.5 p -143.36 134.29 12.48 Favored Pre-proline 0 N--CA 1.451 -0.395 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.915 -176.687 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' B' ' 43' ' ' VAL . 3.0 Cg_exo -75.94 121.51 6.26 Favored 'Trans proline' 0 CA--C 1.53 0.298 0 C-N-CA 122.716 2.277 . . . . 0.0 110.991 171.682 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . 0.828 ' CZ ' ' HB3' ' B' ' 49' ' ' GLN . 17.5 mmm-85 -134.13 177.69 7.55 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-O 121.843 0.83 . . . . 0.0 111.664 -177.527 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 5.9 p -103.77 159.19 15.84 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 113.66 -1.609 . . . . 0.0 107.74 168.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . 0.439 ' O ' HG13 ' B' ' 51' ' ' ILE . 7.6 mpt_? -55.36 -41.84 73.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.38 0.609 . . . . 0.0 109.458 176.127 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -56.98 -50.58 72.26 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.78 -1.1 . . . . 0.0 111.287 177.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.828 ' HB3' ' CZ ' ' B' ' 45' ' ' ARG . 13.2 mm-40 -57.03 -40.26 76.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.54 -0.755 . . . . 0.0 112.82 -176.406 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . 0.561 HD11 HH11 ' B' ' 45' ' ' ARG . 11.4 mm -66.69 -52.05 49.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.245 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . 0.536 HG12 ' CD2' ' B' ' 66' ' ' PHE . 67.5 mt -57.03 -41.97 78.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.116 -0.947 . . . . 0.0 109.48 -178.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -56.41 -54.86 40.61 Favored 'General case' 0 C--O 1.218 -0.568 0 CA-C-N 114.916 -1.038 . . . . 0.0 112.707 -176.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' HIS . . . . . 0.423 ' O ' ' HB2' ' B' ' 57' ' ' MET . 31.3 m-70 -58.65 -31.55 68.26 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 118.432 0.56 . . . . 0.0 111.824 -179.386 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . 0.413 ' HB3' HD12 ' B' ' 59' ' ' LEU . 40.5 mt -83.99 -46.5 11.99 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.565 -171.108 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . 0.437 HG23 ' O ' ' B' ' 51' ' ' ILE . 33.8 m -70.81 -24.65 25.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.222 0.534 . . . . 0.0 110.275 176.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -81.84 -18.55 43.52 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.069 177.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.423 ' HB2' ' O ' ' B' ' 53' ' ' HIS . 30.0 ttm -85.24 -2.58 58.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.049 0.452 . . . . 0.0 110.268 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 81.24 -2.65 80.83 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 121.049 -0.596 . . . . 0.0 112.79 176.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . 0.413 HD12 ' HB3' ' B' ' 54' ' ' LEU . 4.1 pp -83.51 -17.55 41.52 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.282 0.563 . . . . 0.0 110.305 -179.664 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -133.02 155.91 48.33 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.241 -0.891 . . . . 0.0 109.457 174.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -85.62 -62.62 1.49 Allowed 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.341 -178.037 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 33.8 t -150.82 177.34 10.2 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.043 0.449 . . . . 0.0 111.314 -174.062 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 89.7 t -55.76 -26.8 20.97 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.657 177.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 17.2 pttm -55.31 -37.38 67.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.759 178.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -80.6 -7.68 59.35 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.096 -0.956 . . . . 0.0 111.205 -176.384 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 66' ' ' PHE . . . . . 0.536 ' CD2' HG12 ' B' ' 51' ' ' ILE . 4.7 m-85 . . . . . 0 C--N 1.325 -0.49 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 -172.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 11.2 m . . . . . 0 N--CA 1.442 -0.846 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.11 95.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.339 0.59 . . . . 0.0 111.922 -175.271 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 76' ' ' TRP . . . . . 0.687 ' CE3' ' HG2' ' B' ' 80' ' ' GLN . 73.8 m95 -94.45 108.85 20.76 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.201 0.524 . . . . 0.0 110.366 179.772 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 46.8 p -103.34 176.03 5.28 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.432 174.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -60.03 -40.35 96.92 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.254 -0.974 . . . . 0.0 110.813 172.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -58.84 -59.37 5.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.066 -0.567 . . . . 0.0 110.916 176.45 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 80' ' ' GLN . . . . . 0.687 ' HG2' ' CE3' ' B' ' 76' ' ' TRP . 34.4 tt0 -57.77 -43.01 85.21 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.608 -175.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -67.61 -43.24 80.92 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.777 -177.132 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 21.3 tp -68.35 -38.07 81.1 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.912 177.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -61.73 -46.37 89.94 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.377 -177.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . 0.565 HD11 ' NH1' ' B' ' 109' ' ' ARG . 10.3 tt -67.29 -35.98 80.58 Favored 'General case' 0 C--O 1.224 -0.279 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 177.321 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . 0.412 ' HG2' HD22 ' B' ' 123' ' ' LEU . 1.0 OUTLIER -55.39 -52.42 63.61 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 123.343 0.402 . . . . 0.0 110.201 178.46 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 71.7 mtm180 -66.84 -36.68 82.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.486 -179.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 20.4 tp -70.55 -44.86 66.58 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.749 -177.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.67 ' O ' ' HB2' ' B' ' 92' ' ' ARG . 8.1 t80 -45.92 -47.12 16.36 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.756 175.187 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -64.72 -44.38 90.38 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.45 0.643 . . . . 0.0 111.25 -179.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -72.68 -42.56 64.14 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.135 -0.939 . . . . 0.0 112.297 -169.083 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -98.44 17.63 18.47 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.842 0.353 . . . . 0.0 111.306 -179.089 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 92' ' ' ARG . . . . . 0.67 ' HB2' ' O ' ' B' ' 88' ' ' PHE . 46.7 ttt180 -75.31 -11.69 60.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.652 -179.17 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -73.65 6.3 3.24 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.785 0.802 . . . . 0.0 110.519 177.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 94' ' ' SER . . . . . 0.409 ' H ' ' C ' ' B' ' 92' ' ' ARG . 4.8 m -103.07 160.97 14.16 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 178.769 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -65.85 -48.44 71.62 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.183 0.516 . . . . 0.0 109.833 -179.027 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -105.06 99.57 9.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.432 170.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 97' ' ' VAL . . . . . 0.485 ' O ' HG13 ' B' ' 101' ' ' ILE . 10.2 p -64.67 -39.69 86.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 C-N-CA 120.333 -0.547 . . . . 0.0 110.076 178.714 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . 0.751 ' O ' ' HG3' ' B' ' 102' ' ' MET . 3.2 mp -58.87 -41.14 86.36 Favored 'General case' 0 C--O 1.22 -0.462 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.279 179.709 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -53.37 -44.63 66.05 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 121.211 -0.519 . . . . 0.0 113.093 -178.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 64.8 m-70 -81.17 -25.0 37.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.859 0.362 . . . . 0.0 110.46 -179.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 101' ' ' ILE . . . . . 0.485 HG13 ' O ' ' B' ' 97' ' ' VAL . 57.2 mt -61.28 -56.82 15.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.979 172.001 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 102' ' ' MET . . . . . 0.751 ' HG3' ' O ' ' B' ' 98' ' ' LEU . 18.6 mtp -64.37 -27.67 69.17 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.167 0.508 . . . . 0.0 110.309 -175.156 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -75.38 -44.3 45.57 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.502 -176.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -105.07 0.47 27.57 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -169.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 105' ' ' ILE . . . . . 0.445 HG13 ' N ' ' B' ' 106' ' ' THR . 11.1 tp -91.48 158.83 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.265 0.555 . . . . 0.0 110.89 -177.738 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 106' ' ' THR . . . . . 0.445 ' N ' HG13 ' B' ' 105' ' ' ILE . 6.5 t -71.45 -36.74 71.33 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.243 -0.89 . . . . 0.0 111.822 -176.119 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 107' ' ' ALA . . . . . 0.588 ' HB1' ' NH2' ' B' ' 109' ' ' ARG . . . -98.52 127.56 44.5 Favored 'General case' 0 CA--C 1.509 -0.596 0 CA-C-O 120.811 0.338 . . . . 0.0 110.445 -178.555 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 10.6 mmmm -90.01 107.63 19.24 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 -178.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 109' ' ' ARG . . . . . 0.588 ' NH2' ' HB1' ' B' ' 107' ' ' ALA . 10.2 ptp85 -132.6 169.17 17.01 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.958 -173.46 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 110' ' ' SER . . . . . 0.432 ' O ' HG13 ' B' ' 114' ' ' ILE . 2.0 m -94.06 161.56 14.23 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.612 0.244 . . . . 0.0 111.096 -176.514 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 89.9 mtt180 -68.57 -43.78 75.84 Favored 'General case' 0 CA--C 1.513 -0.476 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -175.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -56.51 -30.34 62.9 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.649 0.738 . . . . 0.0 110.361 -179.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.68 -34.72 40.04 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.043 179.633 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 114' ' ' ILE . . . . . 0.432 HG13 ' O ' ' B' ' 110' ' ' SER . 98.8 mt -71.79 -43.62 69.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.566 178.398 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 115' ' ' VAL . . . . . 0.439 ' O ' HD21 ' B' ' 119' ' ' LEU . 25.5 t -52.9 -54.61 15.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.038 -0.983 . . . . 0.0 111.544 -179.641 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -58.95 -35.84 73.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.108 0.48 . . . . 0.0 110.63 178.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . 0.512 ' O ' HD12 ' B' ' 121' ' ' LEU . 14.8 tppt? -63.63 -36.33 83.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.926 -179.736 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 21.1 mt -64.63 -45.52 86.48 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 121.095 0.474 . . . . 0.0 110.424 176.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 119' ' ' LEU . . . . . 0.439 HD21 ' O ' ' B' ' 115' ' ' VAL . 4.4 mm? -62.87 -31.37 72.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.592 -179.137 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -74.2 -39.56 63.08 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.274 -0.875 . . . . 0.0 111.061 -178.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 121' ' ' LEU . . . . . 0.512 HD12 ' O ' ' B' ' 117' ' ' LYS . 9.8 mp -75.33 -25.83 58.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.108 0.48 . . . . 0.0 110.91 175.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 80.98 31.62 34.69 Favored Glycine 0 N--CA 1.444 -0.823 0 C-N-CA 120.728 -0.749 . . . . 0.0 111.455 -172.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . 0.435 ' HB3' ' CE1' ' B' ' 88' ' ' PHE . 69.3 mt -76.04 -24.21 55.17 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-O 121.849 0.833 . . . . 0.0 109.065 176.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 124' ' ' VAL . . . . . 0.524 HG21 ' CD2' ' B' ' 130' ' ' LEU . 34.1 m -137.63 174.84 10.5 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 114.219 -1.355 . . . . 0.0 109.397 175.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -114.31 -7.43 12.94 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.157 0.503 . . . . 0.0 110.632 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 126' ' ' GLU . . . . . 0.503 ' O ' HD22 ' B' ' 130' ' ' LEU . 13.8 pt-20 -171.15 174.53 4.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.376 -175.264 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 127' ' ' ARG . . . . . 0.67 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 12.0 mpt_? -77.84 -21.08 51.99 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.796 0.332 . . . . 0.0 111.522 -179.615 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 128' ' ' ARG . . . . . . . . . . . . . 6.0 ttm180 -58.48 -34.62 71.09 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.288 0.566 . . . . 0.0 111.053 -179.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -84.93 -5.79 59.34 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.393 -0.821 . . . . 0.0 112.632 -170.195 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 130' ' ' LEU . . . . . 0.67 ' HG ' ' O ' ' B' ' 127' ' ' ARG . 0.3 OUTLIER -82.81 -12.86 57.13 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.576 0.703 . . . . 0.0 109.585 -176.423 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 131' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 . . . . . 0 C--N 1.318 -0.804 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 -179.147 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' TRP . . . . . 0.45 ' CE3' ' HG2' ' B' ' 13' ' ' GLU . 90.6 m95 . . . . . 0 CA--C 1.518 -0.255 0 CA-C-O 121.239 0.542 . . . . 0.0 111.532 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 6.9 m -95.78 162.26 24.78 Favored Pre-proline 0 C--N 1.318 -0.778 0 CA-C-N 115.213 -0.903 . . . . 0.0 109.924 -177.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -44.21 -55.72 2.98 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 123.263 2.642 . . . . 0.0 114.024 -176.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -69.91 -29.27 66.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.088 0.471 . . . . 0.0 110.673 -177.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.45 ' HG2' ' CE3' ' B' ' 9' ' ' TRP . 15.2 tt0 -71.48 -42.53 67.97 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.341 -176.403 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . 0.403 ' CG ' ' HB3' ' B' ' 9' ' ' TRP . 45.7 mt-10 -66.46 -36.18 82.13 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.416 175.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . 0.495 ' O ' ' HG2' ' B' ' 18' ' ' ARG . . . -69.21 -42.83 75.21 Favored 'General case' 0 C--O 1.218 -0.554 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.527 178.31 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.404 ' HA ' ' CB ' ' B' ' 19' ' ' GLU . 13.5 t-160 -60.66 -29.51 69.33 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.385 175.459 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 20.0 tp -63.24 -50.67 69.3 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.183 177.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . 0.697 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 33.5 ptt180 -70.46 -35.45 73.33 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 175.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . 0.404 ' CB ' ' HA ' ' B' ' 16' ' ' HIS . 17.5 tp10 -48.65 -51.9 25.94 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.595 0.712 . . . . 0.0 110.731 -178.728 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.436 HD23 ' ND2' ' B' ' 24' ' ' ASN . 0.3 OUTLIER -69.07 -36.14 77.3 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.618 -1.174 . . . . 0.0 111.579 -177.58 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -68.21 -52.2 36.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.135 0.493 . . . . 0.0 110.095 -179.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.697 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 45.6 mt -59.02 -24.71 63.05 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.319 -176.037 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -84.05 -57.04 3.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.732 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' ASN . . . . . 0.436 ' ND2' HD23 ' B' ' 20' ' ' LEU . 35.3 m-80 -88.58 7.04 35.25 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -170.588 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -69.53 -18.94 63.71 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 111.75 0.278 . . . . 0.0 111.75 -178.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -95.37 4.77 53.04 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.736 0.303 . . . . 0.0 111.339 -175.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 37.7 t -88.26 119.12 35.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 179.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -92.92 138.08 31.8 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.894 -173.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.02 9.04 83.13 Favored Glycine 0 CA--C 1.509 -0.296 0 N-CA-C 111.355 -0.698 . . . . 0.0 111.355 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -118.8 149.73 41.0 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.21 -0.495 . . . . 0.0 110.341 -176.524 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -82.24 104.0 12.24 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 172.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . 0.548 ' O ' HG13 ' B' ' 36' ' ' ILE . 9.8 p -61.56 -32.19 52.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 178.514 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . 0.746 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 2.0 t -58.85 -57.25 12.06 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 CA-C-N 115.114 -0.948 . . . . 0.0 110.126 176.77 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.447 ' HA ' HD13 ' B' ' 37' ' ' LEU . 4.2 tm-20 -54.19 -40.28 67.43 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.769 -178.556 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.27 -50.43 73.63 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.28 178.267 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.548 HG13 ' O ' ' B' ' 32' ' ' VAL . 45.2 mt -65.8 -55.81 17.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.089 -178.774 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.746 ' HG ' ' O ' ' B' ' 33' ' ' VAL . 10.5 mt -49.59 -42.34 44.31 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 123.68 0.612 . . . . 0.0 111.326 -175.537 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.91 -35.49 16.47 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 -170.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' HIS . . . . . 0.413 ' CB ' HD13 ' B' ' 20' ' ' LEU . 36.0 m-70 -78.12 -10.55 59.68 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.445 -0.502 . . . . 0.0 111.999 -173.177 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.437 ' C ' ' H ' ' B' ' 42' ' ' THR . 0.7 OUTLIER -114.89 80.76 1.46 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.887 0.851 . . . . 0.0 110.967 170.548 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -82.33 39.4 0.59 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.785 0.802 . . . . 0.0 110.252 179.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' THR . . . . . 0.437 ' H ' ' C ' ' B' ' 40' ' ' LEU . 6.1 t -94.73 -10.87 30.31 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 114.821 -1.082 . . . . 0.0 109.143 176.815 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 12.7 m -136.43 125.09 15.3 Favored Pre-proline 0 N--CA 1.452 -0.332 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.27 -178.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -76.66 89.13 1.31 Allowed 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 122.347 2.032 . . . . 0.0 110.374 169.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 14.7 mtt85 -136.27 170.17 16.46 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.093 0.473 . . . . 0.0 111.812 -173.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 14.5 t -109.0 -173.36 2.25 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.162 -178.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 17.7 mmt180 -61.9 -49.76 74.91 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.879 -174.197 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt -54.97 -38.87 68.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.036 -0.984 . . . . 0.0 112.064 -175.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.74 -62.35 1.8 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.894 -175.711 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . 0.495 ' HB ' HD21 ' B' ' 37' ' ' LEU . 1.9 mp -59.8 -47.91 89.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.09 -176.309 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 94.6 mt -53.6 -51.91 38.44 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.401 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.477 -178.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -57.08 -44.04 82.73 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.915 -174.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' HIS . . . . . 0.56 ' O ' ' HB2' ' B' ' 57' ' ' MET . 40.9 m-70 -71.51 -22.82 61.73 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.994 -176.532 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 77.7 mt -74.64 -48.52 25.84 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.179 0.514 . . . . 0.0 110.053 179.394 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 9.0 m -73.78 -26.06 21.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.221 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -79.76 -25.24 41.07 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.031 178.001 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.56 ' HB2' ' O ' ' B' ' 53' ' ' HIS . 27.9 ttm -79.59 -9.03 59.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.214 0.531 . . . . 0.0 110.405 -178.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 86.41 -0.34 86.99 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.715 177.015 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 4.5 pp -87.12 -19.88 27.88 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.297 0.57 . . . . 0.0 110.095 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -121.41 169.89 10.18 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.329 -0.85 . . . . 0.0 109.536 174.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -88.41 -66.2 0.94 Allowed 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.637 -0.425 . . . . 0.0 111.415 -177.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 10.7 t -160.56 174.2 14.39 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.174 0.512 . . . . 0.0 111.576 -174.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 79.4 t -62.52 -25.07 37.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.247 179.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -60.74 -25.69 66.64 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.786 -178.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -89.16 -8.19 54.16 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.786 -178.017 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.061 -176.048 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . 0.413 HG13 ' NE1' ' B' ' 76' ' ' TRP . 0.9 OUTLIER . . . . . 0 N--CA 1.446 -0.632 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . 0.473 ' O ' HD13 ' B' ' 75' ' ' LEU . 0.4 OUTLIER -48.89 98.05 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.518 0.675 . . . . 0.0 112.805 -177.016 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 76' ' ' TRP . . . . . 0.413 ' NE1' HG13 ' B' ' 74' ' ' VAL . 87.1 m95 -102.2 109.71 21.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.411 176.723 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 77' ' ' THR . . . . . 0.402 ' OG1' ' HB2' ' B' ' 80' ' ' GLN . 60.8 p -109.97 -178.26 3.48 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.676 179.609 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -59.79 -40.05 96.16 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.043 177.214 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -80.88 -42.01 22.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.963 -0.118 . . . . 0.0 111.061 179.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 80' ' ' GLN . . . . . 0.402 ' HB2' ' OG1' ' B' ' 77' ' ' THR . 0.0 OUTLIER -59.59 -32.6 70.53 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.003 0.43 . . . . 0.0 109.874 179.422 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -64.98 -51.71 60.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.458 176.157 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 30.0 tp -60.73 -40.85 93.89 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.99 -178.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . 0.513 ' O ' ' HB2' ' B' ' 87' ' ' LEU . 5.6 mm-40 -59.07 -30.32 67.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.865 179.5 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . 0.45 HD23 ' NH1' ' B' ' 109' ' ' ARG . 3.0 tm? -73.67 -45.96 49.37 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.188 175.38 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -58.2 -55.91 28.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.249 -176.422 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 86' ' ' ARG . . . . . 0.497 ' O ' ' HB2' ' B' ' 90' ' ' GLU . 40.9 mtp180 -57.1 -48.08 79.48 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.362 0.601 . . . . 0.0 110.168 -178.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 87' ' ' LEU . . . . . 0.53 ' CD2' HG12 ' B' ' 101' ' ' ILE . 17.9 tp -51.68 -54.12 31.56 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.49 -1.232 . . . . 0.0 110.565 177.824 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.593 ' CE2' ' HB3' ' B' ' 123' ' ' LEU . 58.1 t80 -57.95 -67.31 0.35 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.164 -0.926 . . . . 0.0 112.818 179.671 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -61.14 -36.1 78.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.052 0.453 . . . . 0.0 112.207 -169.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . 0.497 ' HB2' ' O ' ' B' ' 86' ' ' ARG . 4.2 mm-40 -80.38 -19.9 45.28 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 -172.019 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -121.25 6.8 10.19 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -178.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 92' ' ' ARG . . . . . 0.594 ' HA ' ' CG1' ' B' ' 97' ' ' VAL . 5.0 ptm180 -76.03 -11.92 60.03 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -172.762 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -70.72 -27.09 63.71 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 121.413 0.625 . . . . 0.0 110.294 178.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 26.3 t -106.97 178.55 4.53 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.163 178.28 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -63.27 -23.7 67.54 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.586 0.708 . . . . 0.0 110.031 175.239 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 96' ' ' ASP . . . . . 0.633 ' HB3' ' CG ' ' B' ' 100' ' ' HIS . 3.1 m-20 -89.4 43.82 1.17 Allowed 'General case' 0 N--CA 1.442 -0.872 0 CA-C-N 115.43 -0.805 . . . . 0.0 112.592 -167.509 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 97' ' ' VAL . . . . . 0.717 ' O ' HG13 ' B' ' 101' ' ' ILE . 0.6 OUTLIER -88.54 -65.55 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 C-N-CA 119.453 -0.899 . . . . 0.0 109.884 157.414 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 5.0 tp -72.88 -48.98 32.73 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 114.733 -1.121 . . . . 0.0 110.701 -167.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 99' ' ' GLY . . . . . 0.598 ' O ' ' HE3' ' B' ' 103' ' ' LYS . . . -59.95 -43.03 98.5 Favored Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.818 -0.706 . . . . 0.0 111.953 175.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 100' ' ' HIS . . . . . 0.633 ' CG ' ' HB3' ' B' ' 96' ' ' ASP . 2.2 m170 -70.38 -17.6 63.04 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 122.704 -0.292 . . . . 0.0 111.455 -177.722 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 101' ' ' ILE . . . . . 0.784 ' O ' HG21 ' B' ' 105' ' ' ILE . 65.1 mt -61.51 -65.31 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.817 0.818 . . . . 0.0 108.853 170.013 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 102' ' ' MET . . . . . 0.421 ' HE3' ' O ' ' B' ' 109' ' ' ARG . 0.0 OUTLIER -67.31 -14.36 62.84 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 114.737 -1.12 . . . . 0.0 111.74 -174.062 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 103' ' ' LYS . . . . . 0.598 ' HE3' ' O ' ' B' ' 99' ' ' GLY . 0.0 OUTLIER -94.07 -51.36 4.88 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.627 175.059 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -113.6 -4.66 13.45 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 114.653 1.353 . . . . 0.0 114.653 -163.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 105' ' ' ILE . . . . . 0.784 HG21 ' O ' ' B' ' 101' ' ' ILE . 10.5 tp -91.53 157.34 2.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 C-N-CA 118.901 -1.119 . . . . 0.0 110.039 177.1 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 12.3 t -55.76 -29.65 59.94 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.238 -0.892 . . . . 0.0 112.149 -177.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -106.92 127.88 53.82 Favored 'General case' 0 CA--C 1.514 -0.422 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.852 -176.094 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 108' ' ' LYS . . . . . 0.419 ' HD2' ' N ' ' B' ' 108' ' ' LYS . 0.0 OUTLIER -86.22 100.9 12.57 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.641 0.734 . . . . 0.0 109.631 177.447 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 109' ' ' ARG . . . . . 0.45 ' NH1' HD23 ' B' ' 84' ' ' LEU . 43.4 mtt180 -111.07 155.44 22.79 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 114.829 -1.078 . . . . 0.0 109.559 -176.058 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 110' ' ' SER . . . . . 0.497 ' O ' ' HG2' ' B' ' 113' ' ' ARG . 19.8 m -96.82 164.42 12.57 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 177.534 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 111' ' ' ARG . . . . . 0.465 ' O ' HG22 ' B' ' 115' ' ' VAL . 12.8 mmt85 -56.51 -53.06 61.93 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 -172.036 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -55.64 -42.67 75.33 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.662 0.615 . . . . 0.0 112.662 -173.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 113' ' ' ARG . . . . . 0.497 ' HG2' ' O ' ' B' ' 110' ' ' SER . 9.3 ptp180 -74.35 -27.32 60.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.824 0.345 . . . . 0.0 110.864 -175.132 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 91.4 mt -74.09 -48.06 39.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.5 0.666 . . . . 0.0 109.552 176.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 115' ' ' VAL . . . . . 0.532 ' O ' HD21 ' B' ' 119' ' ' LEU . 79.0 t -57.58 -49.5 80.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 114.662 -1.154 . . . . 0.0 110.863 179.213 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -57.34 -33.24 67.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.056 179.172 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . 0.406 ' O ' HD12 ' B' ' 121' ' ' LEU . 1.0 OUTLIER -73.93 -36.5 64.69 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.879 -177.444 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . 0.44 ' CD2' HD11 ' B' ' 84' ' ' LEU . 25.7 mt -62.13 -42.08 98.89 Favored 'General case' 0 CA--C 1.512 -0.481 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.288 176.68 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 119' ' ' LEU . . . . . 0.532 HD21 ' O ' ' B' ' 115' ' ' VAL . 4.5 mm? -66.54 -23.95 66.3 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.402 -179.695 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -83.81 -44.79 13.99 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.603 -178.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 121' ' ' LEU . . . . . 0.406 HD12 ' O ' ' B' ' 117' ' ' LYS . 10.2 mp -69.58 -24.54 63.7 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-O 121.378 0.609 . . . . 0.0 110.171 173.596 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 74.44 35.34 52.33 Favored Glycine 0 N--CA 1.439 -1.104 0 CA-C-N 115.125 -0.943 . . . . 0.0 111.603 -174.324 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . 0.593 ' HB3' ' CE2' ' B' ' 88' ' ' PHE . 57.8 mt -77.03 -23.33 52.13 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 121.794 0.807 . . . . 0.0 108.865 176.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 124' ' ' VAL . . . . . 0.488 HG23 ' CD2' ' B' ' 130' ' ' LEU . 35.5 m -136.83 166.02 26.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 114.389 -1.278 . . . . 0.0 109.276 173.341 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -108.44 -7.18 15.87 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-O 121.378 0.609 . . . . 0.0 109.75 177.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -166.03 175.68 8.33 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.645 -175.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 127' ' ' ARG . . . . . 0.633 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 0.2 OUTLIER -78.87 -25.68 43.96 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -176.289 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 128' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -53.05 -37.11 61.31 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -71.78 -12.72 61.44 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -172.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 130' ' ' LEU . . . . . 0.633 ' HG ' ' O ' ' B' ' 127' ' ' ARG . 0.1 OUTLIER -111.21 16.07 21.18 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.783 0.325 . . . . 0.0 111.332 -177.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 131' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 . . . . . 0 C--N 1.323 -0.547 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 177.893 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 81.4 m95 . . . . . 0 N--CA 1.454 -0.241 0 CA-C-O 121.28 0.562 . . . . 0.0 111.256 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 21.1 p -123.34 154.71 65.75 Favored Pre-proline 0 C--N 1.318 -0.781 0 CA-C-N 115.245 -0.888 . . . . 0.0 108.828 175.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_exo -46.77 -34.87 16.59 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.935 2.423 . . . . 0.0 113.029 179.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -63.37 -55.11 27.1 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.049 0.452 . . . . 0.0 110.786 175.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -68.77 -31.05 69.8 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.628 -174.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -71.61 -34.18 69.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.849 0.357 . . . . 0.0 110.58 177.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.23 -32.07 71.05 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.49 0.662 . . . . 0.0 109.927 174.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.505 ' O ' ' HB3' ' B' ' 19' ' ' GLU . 19.0 t-160 -72.63 -25.72 61.4 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.112 -0.949 . . . . 0.0 110.105 175.07 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.426 ' CD2' ' HB2' ' B' ' 53' ' ' HIS . 28.4 tp -68.63 -49.64 57.59 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.671 177.291 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . 0.739 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 13.3 ptm180 -68.32 -32.63 72.88 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 173.694 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . 0.505 ' HB3' ' O ' ' B' ' 16' ' ' HIS . 14.3 tp10 -49.97 -47.32 52.75 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-O 121.433 0.635 . . . . 0.0 110.254 175.569 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.05 -43.14 93.28 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.436 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 91.1 t80 -70.24 -46.86 63.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.753 -174.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.739 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 48.0 mt -64.06 -25.67 68.21 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.105 -176.51 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.48 -44.35 14.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.822 0.344 . . . . 0.0 111.538 178.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' ASN . . . . . 0.51 ' O ' HG13 ' B' ' 27' ' ' VAL . 35.4 m-80 -92.72 7.51 43.25 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -173.002 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 14.8 ptmm? -84.86 -12.82 52.71 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.442 0.639 . . . . 0.0 109.463 172.201 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -81.25 -20.46 40.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.641 -178.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . 0.51 HG13 ' O ' ' B' ' 24' ' ' ASN . 12.9 p -89.4 138.73 18.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.275 -176.333 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -114.5 140.53 48.66 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.77 179.339 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.41 6.71 65.96 Favored Glycine 0 N--CA 1.449 -0.479 0 N-CA-C 111.315 -0.714 . . . . 0.0 111.315 -177.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -127.21 148.75 50.19 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.249 0.547 . . . . 0.0 111.053 -178.131 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -68.94 112.15 5.42 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.324 172.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . 0.709 ' O ' HG13 ' B' ' 36' ' ' ILE . 8.4 p -69.91 -42.52 79.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 C-N-CA 119.725 -0.79 . . . . 0.0 109.429 174.791 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . 0.743 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 4.9 t -57.54 -59.84 2.82 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.695 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.567 -179.209 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -67.88 -22.71 65.09 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.477 -174.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . 0.456 ' O ' ' HD2' ' B' ' 39' ' ' HIS . . . -62.3 -50.56 71.18 Favored 'General case' 0 CA--C 1.515 -0.4 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 172.39 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.709 HG13 ' O ' ' B' ' 32' ' ' VAL . 49.0 mt -60.9 -54.94 28.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 114.611 -1.177 . . . . 0.0 110.687 178.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.743 ' HG ' ' O ' ' B' ' 33' ' ' VAL . 7.2 mt -53.69 -29.98 41.44 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.033 -178.141 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.91 -41.98 12.1 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 -172.169 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' HIS . . . . . 0.456 ' HD2' ' O ' ' B' ' 35' ' ' ALA . 47.4 m-70 -74.47 -29.09 61.31 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-O 121.027 0.441 . . . . 0.0 110.348 -173.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.401 ' C ' ' H ' ' B' ' 42' ' ' THR . 11.9 mt -79.75 81.89 5.94 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.474 178.556 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 46.2 m-80 -88.18 36.28 0.77 Allowed 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.679 0.752 . . . . 0.0 109.037 175.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' THR . . . . . 0.401 ' H ' ' C ' ' B' ' 40' ' ' LEU . 5.5 t -109.05 -30.21 8.18 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.775 -1.102 . . . . 0.0 110.312 177.609 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . 0.403 ' HB ' ' HG3' ' B' ' 45' ' ' ARG . 3.1 m -124.13 104.18 32.55 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-N 116.175 -0.466 . . . . 0.0 112.006 -174.134 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -73.85 89.66 0.99 Allowed 'Trans proline' 0 N--CA 1.46 -0.461 0 C-N-CA 122.245 1.964 . . . . 0.0 111.06 172.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . 0.403 ' HG3' ' HB ' ' B' ' 43' ' ' VAL . 48.9 mtp85 -133.85 176.22 8.76 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 -177.616 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' THR . . . . . 0.712 HG21 ' NE2' ' B' ' 49' ' ' GLN . 5.4 t -86.46 175.47 8.36 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.258 -0.577 . . . . 0.0 110.083 178.703 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . 0.416 ' HD2' HD12 ' B' ' 37' ' ' LEU . 15.0 mmt180 -65.6 -41.88 92.3 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.222 0.534 . . . . 0.0 110.276 -173.688 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.422 ' HG3' ' CD2' ' B' ' 52' ' ' HIS . 25.5 ttpt -58.1 -34.28 70.02 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.184 -0.916 . . . . 0.0 112.438 178.603 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.712 ' NE2' HG21 ' B' ' 46' ' ' THR . 1.0 OUTLIER -59.96 -48.3 82.26 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -173.391 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . 0.478 ' HB ' ' CD2' ' B' ' 37' ' ' LEU . 1.7 mp -61.52 -49.31 84.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.085 0.469 . . . . 0.0 110.282 176.177 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 77.2 mt -52.89 -44.45 49.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.082 -0.963 . . . . 0.0 111.401 -177.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' HIS . . . . . 0.422 ' CD2' ' HG3' ' B' ' 48' ' ' LYS . 2.0 m-70 -62.24 -46.95 86.55 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.457 -0.792 . . . . 0.0 112.489 -174.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' HIS . . . . . 0.481 ' O ' ' HB2' ' B' ' 57' ' ' MET . 90.2 m-70 -66.9 -23.02 65.94 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.484 -0.486 . . . . 0.0 111.307 -177.551 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . 0.4 HD21 HD13 ' B' ' 59' ' ' LEU . 90.2 mt -76.17 -52.35 10.26 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.128 0.489 . . . . 0.0 110.688 -177.473 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . 0.441 ' HA ' ' HB1' ' B' ' 60' ' ' ALA . 4.1 m -73.01 -24.61 21.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.58 -178.424 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -81.09 -18.56 46.14 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.017 177.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.535 ' SD ' ' HD2' ' B' ' 18' ' ' ARG . 30.8 ttm -88.58 -2.75 58.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.157 0.503 . . . . 0.0 110.367 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 79.56 6.65 88.93 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.919 -0.657 . . . . 0.0 113.063 176.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . 0.409 HD22 ' SD ' ' B' ' 57' ' ' MET . 4.2 pp -92.36 -20.51 21.0 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.189 0.519 . . . . 0.0 110.09 178.43 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . 0.441 ' HB1' ' HA ' ' B' ' 55' ' ' VAL . . . -114.92 162.2 17.25 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.572 174.285 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -77.9 -64.64 1.11 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.613 -178.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 77.7 p -156.67 175.94 13.39 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-O 121.06 0.457 . . . . 0.0 111.458 -178.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 47.3 t -65.95 -30.39 49.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.623 178.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . 0.45 ' HB2' ' NZ ' ' B' ' 64' ' ' LYS . 7.2 mtmp? -56.34 -39.6 73.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.45 -176.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -63.57 -23.19 67.28 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.641 -176.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 . . . . . 0 C--N 1.323 -0.578 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.747 177.992 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.449 -0.523 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -49.99 98.68 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.2 0.524 . . . . 0.0 111.295 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 76' ' ' TRP . . . . . . . . . . . . . 43.9 m95 -92.5 110.43 21.84 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.808 -178.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 76.6 p -93.22 167.0 12.04 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.523 174.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.54 -33.28 66.29 Favored Glycine 0 N--CA 1.454 -0.158 0 C-N-CA 120.78 -0.724 . . . . 0.0 111.829 179.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . 0.527 ' O ' ' HG3' ' B' ' 83' ' ' GLU . 14.5 m-20 -62.07 -52.99 61.67 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.797 0.332 . . . . 0.0 110.132 176.024 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -60.25 -41.44 93.21 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.376 -179.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 81' ' ' GLU . . . . . 0.461 ' O ' ' HB2' ' B' ' 85' ' ' GLN . 62.0 mt-10 -59.35 -46.48 88.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.305 -0.407 . . . . 0.0 109.943 178.681 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 6.8 tt -63.64 -35.25 79.9 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.093 178.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . 0.527 ' HG3' ' O ' ' B' ' 79' ' ' ASP . 59.4 mt-10 -56.12 -59.47 4.88 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-O 121.055 0.455 . . . . 0.0 111.274 178.684 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 6.3 tt -81.47 -26.52 35.17 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.709 -171.317 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . 0.461 ' HB2' ' O ' ' B' ' 81' ' ' GLU . 0.7 OUTLIER -53.45 -61.87 2.02 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.255 0.55 . . . . 0.0 109.763 176.848 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 31.7 mtp180 -65.71 -40.05 91.83 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.41 -0.813 . . . . 0.0 111.216 -178.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 11.0 tp -63.83 -40.34 96.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.737 -176.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.584 ' O ' ' HB2' ' B' ' 92' ' ' ARG . 0.8 OUTLIER -57.41 -42.54 82.5 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.048 177.62 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -70.07 -38.79 75.84 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.901 0.381 . . . . 0.0 110.796 178.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -59.05 -50.07 75.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.599 -176.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 91' ' ' PHE . . . . . 0.413 ' HB2' HG21 ' B' ' 97' ' ' VAL . 79.6 m-85 -100.4 13.54 34.15 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.79 0.328 . . . . 0.0 111.394 -177.035 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 92' ' ' ARG . . . . . 0.584 ' HB2' ' O ' ' B' ' 88' ' ' PHE . 54.0 ttt180 -68.1 -15.65 63.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.626 0.727 . . . . 0.0 110.648 178.344 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -85.43 6.25 27.5 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.214 -177.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 77.2 p -110.57 174.57 5.8 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.273 176.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -62.44 -48.01 81.53 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.996 0.427 . . . . 0.0 111.355 -178.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -126.33 100.87 6.47 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.911 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 97' ' ' VAL . . . . . 0.505 ' O ' HG13 ' B' ' 101' ' ' ILE . 3.9 p -71.4 -36.97 63.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.153 -178.364 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . 0.525 ' HB2' ' NH1' ' B' ' 111' ' ' ARG . 5.7 mp -67.67 -32.5 73.21 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 121.124 -0.231 . . . . 0.0 111.225 -175.149 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 99' ' ' GLY . . . . . 0.457 ' O ' ' HD3' ' B' ' 103' ' ' LYS . . . -62.37 -38.86 96.97 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.639 -0.791 . . . . 0.0 111.512 175.588 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 32.4 m170 -79.3 -28.72 42.24 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 101' ' ' ILE . . . . . 0.505 HG13 ' O ' ' B' ' 97' ' ' VAL . 44.0 mt -58.5 -56.68 14.89 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.403 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.283 172.774 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 102' ' ' MET . . . . . 0.484 ' HE3' ' O ' ' B' ' 109' ' ' ARG . 45.7 mtt -55.05 -39.25 68.98 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.227 0.454 . . . . 0.0 112.227 -176.267 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 103' ' ' LYS . . . . . 0.457 ' HD3' ' O ' ' B' ' 99' ' ' GLY . 1.7 mptm? -74.11 -24.45 59.46 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 111.957 0.354 . . . . 0.0 111.957 -179.629 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 -106.67 -4.71 19.22 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -177.4 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 105' ' ' ILE . . . . . 0.4 HG13 ' H ' ' B' ' 107' ' ' ALA . 10.5 tp -97.81 148.78 5.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.432 0.634 . . . . 0.0 111.233 -177.817 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 3.7 t -66.78 -35.54 80.32 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 114.868 -1.06 . . . . 0.0 111.664 -176.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 107' ' ' ALA . . . . . 0.4 ' H ' HG13 ' B' ' 105' ' ' ILE . . . -112.87 129.4 56.47 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 116.668 -0.242 . . . . 0.0 110.69 -178.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.32 101.09 6.14 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 176.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 109' ' ' ARG . . . . . 0.484 ' O ' ' HE3' ' B' ' 102' ' ' MET . 56.9 mtt180 -109.08 124.4 50.72 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.473 -175.521 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 110' ' ' SER . . . . . 0.572 ' O ' ' HG2' ' B' ' 113' ' ' ARG . 1.4 m -56.05 155.7 6.17 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 123.687 0.617 . . . . 0.0 111.536 -177.305 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 111' ' ' ARG . . . . . 0.525 ' NH1' ' HB2' ' B' ' 98' ' ' LEU . 11.9 mmt180 -56.13 -47.43 78.16 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.991 -175.687 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -61.15 -29.17 69.62 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 -175.107 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 113' ' ' ARG . . . . . 0.572 ' HG2' ' O ' ' B' ' 110' ' ' SER . 19.3 ptp180 -87.02 -29.0 22.29 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.198 -0.601 . . . . 0.0 111.03 -178.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 59.2 mt -69.17 -55.29 15.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.778 0.323 . . . . 0.0 110.75 173.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 115' ' ' VAL . . . . . 0.518 ' O ' HD21 ' B' ' 119' ' ' LEU . 32.6 m -59.96 -36.83 69.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.855 -173.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -73.24 -30.94 63.81 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.41 179.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . 0.428 ' O ' HD13 ' B' ' 121' ' ' LEU . 44.7 tptt -68.12 -37.2 80.86 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.235 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 7.3 mp -60.33 -43.12 96.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.364 176.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 119' ' ' LEU . . . . . 0.518 HD21 ' O ' ' B' ' 115' ' ' VAL . 4.4 mm? -67.26 -27.9 67.59 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.384 0.612 . . . . 0.0 110.403 179.197 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -74.69 -42.2 58.86 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.651 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 121' ' ' LEU . . . . . 0.428 HD13 ' O ' ' B' ' 117' ' ' LYS . 10.6 mp -68.86 -24.77 64.39 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.857 173.714 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 78.03 35.16 35.52 Favored Glycine 0 N--CA 1.443 -0.862 0 C-N-CA 120.457 -0.878 . . . . 0.0 110.965 -173.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 62.0 mt -79.24 -30.89 43.41 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-O 121.241 0.544 . . . . 0.0 109.99 179.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 124' ' ' VAL . . . . . 0.497 HG21 ' CD2' ' B' ' 130' ' ' LEU . 23.9 m -134.24 168.17 24.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.7 -178.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -81.95 -32.37 30.81 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.834 -1.075 . . . . 0.0 110.312 177.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 126' ' ' GLU . . . . . 0.404 ' HG3' ' HB3' ' B' ' 128' ' ' ARG . 7.8 pt-20 -169.47 177.98 4.41 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 114.457 -1.247 . . . . 0.0 108.768 -172.118 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 127' ' ' ARG . . . . . 0.598 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 12.2 mpt_? -65.63 -22.24 66.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.895 0.379 . . . . 0.0 111.043 -179.506 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 128' ' ' ARG . . . . . 0.404 ' HB3' ' HG3' ' B' ' 126' ' ' GLU . 8.7 ttm180 -59.0 -39.0 80.48 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.761 -179.131 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -72.0 -8.93 57.37 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.982 -0.554 . . . . 0.0 112.401 -170.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 130' ' ' LEU . . . . . 0.598 ' HG ' ' O ' ' B' ' 127' ' ' ARG . 0.1 OUTLIER -107.67 12.23 27.72 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.715 0.293 . . . . 0.0 111.347 179.528 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 131' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 . . . . . 0 C--N 1.327 -0.382 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 175.57 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' TRP . . . . . 0.517 ' CH2' HG23 ' B' ' 43' ' ' VAL . 70.5 m95 . . . . . 0 N--CA 1.455 -0.18 0 CA-C-O 120.707 0.289 . . . . 0.0 110.763 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 36.6 p -79.42 158.54 73.79 Favored Pre-proline 0 C--N 1.322 -0.601 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 176.062 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_endo -51.18 -34.44 48.39 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.723 2.282 . . . . 0.0 112.133 177.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -74.91 -31.35 61.53 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.61 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.435 ' CD ' HG21 ' B' ' 42' ' ' THR . 6.5 tp10 -78.74 -35.99 43.89 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.366 -179.368 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -64.74 -37.65 88.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.938 0.399 . . . . 0.0 110.448 177.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.7 -32.02 72.38 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.085 0.469 . . . . 0.0 110.494 175.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.496 ' O ' ' HB3' ' B' ' 19' ' ' GLU . 11.5 t-160 -74.7 -26.76 60.04 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.35 176.173 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.431 HD22 ' HB2' ' B' ' 53' ' ' HIS . 32.4 tp -67.59 -47.25 70.28 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 177.631 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . 0.754 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 30.7 ptt180 -73.26 -30.49 63.48 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 174.814 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . 0.496 ' HB3' ' O ' ' B' ' 16' ' ' HIS . 10.3 tp10 -48.53 -51.87 25.39 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 121.665 0.745 . . . . 0.0 110.503 177.232 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.431 HD11 ' HA ' ' B' ' 36' ' ' ILE . 0.4 OUTLIER -73.69 -28.43 61.74 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.076 -0.966 . . . . 0.0 111.223 -177.047 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -70.55 -49.6 46.36 Favored 'General case' 0 CA--C 1.514 -0.43 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 178.048 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.754 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 39.3 mt -63.2 -20.34 65.33 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.623 -177.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.91 -43.29 22.46 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.837 179.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -109.25 3.18 21.43 Favored 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 -173.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 12.5 ptmm? -62.38 -35.92 80.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.691 0.281 . . . . 0.0 111.67 -177.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -94.6 10.69 33.8 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.179 -176.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 49.4 t -89.35 106.89 17.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 173.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -82.84 138.41 33.95 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.986 -173.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.64 -18.78 55.8 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.951 -0.642 . . . . 0.0 113.041 177.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -97.05 147.28 24.18 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.919 0.359 . . . . 0.0 110.822 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -63.28 100.15 0.23 Allowed 'General case' 0 CA--C 1.516 -0.327 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.443 168.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . 0.512 ' O ' HG13 ' B' ' 36' ' ' ILE . 10.3 p -59.89 -36.74 68.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 120.901 0.381 . . . . 0.0 110.212 178.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . 0.792 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 8.0 p -73.35 -38.55 53.87 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.868 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.201 -174.21 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.412 ' HA ' ' CD1' ' B' ' 37' ' ' LEU . 24.4 mt-10 -69.38 -24.74 63.91 Favored 'General case' 0 CA--C 1.514 -0.404 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.469 179.295 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.89 -44.8 91.94 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.621 0.724 . . . . 0.0 109.054 170.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.588 ' O ' ' HG ' ' B' ' 40' ' ' LEU . 44.8 mt -72.45 -64.45 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.587 -177.247 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.792 ' HG ' ' O ' ' B' ' 33' ' ' VAL . 2.4 pp -65.74 -20.07 66.13 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 -170.124 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -90.0 -31.1 17.36 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.58 -0.448 . . . . 0.0 112.007 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 18.6 m-70 -80.79 -29.92 36.01 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.6 -0.44 . . . . 0.0 111.958 -175.031 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.588 ' HG ' ' O ' ' B' ' 36' ' ' ILE . 0.5 OUTLIER -89.6 86.49 6.74 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.743 0.782 . . . . 0.0 111.417 178.402 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -84.0 38.62 0.66 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.641 0.734 . . . . 0.0 110.188 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' THR . . . . . 0.435 HG21 ' CD ' ' B' ' 13' ' ' GLU . 2.3 t -104.82 -13.0 16.01 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 114.934 -1.03 . . . . 0.0 109.383 179.354 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . 0.517 HG23 ' CH2' ' B' ' 9' ' ' TRP . 2.4 m -133.14 100.45 14.2 Favored Pre-proline 0 N--CA 1.453 -0.315 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.738 -179.334 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -73.24 88.73 0.96 Allowed 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 121.987 1.792 . . . . 0.0 110.214 169.382 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 24.0 mtp180 -138.04 170.89 15.25 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.193 -176.011 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' THR . . . . . 0.415 HG22 ' HG2' ' B' ' 49' ' ' GLN . 5.8 t -74.59 155.78 37.48 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 176.694 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 28.4 mmt180 -63.08 -31.99 73.25 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.015 0.436 . . . . 0.0 111.244 -172.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -56.41 -31.87 64.3 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.348 -0.842 . . . . 0.0 112.186 -179.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.415 ' HG2' HG22 ' B' ' 46' ' ' THR . 17.8 mm-40 -68.38 -40.0 81.55 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 111.898 0.332 . . . . 0.0 111.898 -172.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 2.0 mp -66.18 -47.73 83.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 177.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 87.4 mt -52.57 -50.58 39.67 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 CA-C-O 121.707 0.765 . . . . 0.0 110.51 177.116 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' HIS . . . . . 0.453 ' HB3' ' NE2' ' B' ' 56' ' ' GLN . 0.9 OUTLIER -60.21 -53.51 56.83 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.568 -1.196 . . . . 0.0 112.838 -172.896 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' HIS . . . . . 0.431 ' HB2' HD22 ' B' ' 17' ' ' LEU . 37.8 m-70 -59.97 -32.2 70.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.839 0.352 . . . . 0.0 111.78 -175.139 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . 0.458 ' O ' ' HG ' ' B' ' 59' ' ' LEU . 80.1 mt -68.67 -45.82 70.72 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.208 -178.008 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 5.4 m -75.93 -20.48 15.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.254 0.55 . . . . 0.0 109.813 178.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' GLN . . . . . 0.453 ' NE2' ' HB3' ' B' ' 52' ' ' HIS . 45.5 mt-30 -72.49 -35.35 68.15 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.915 175.723 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 66.6 mtm -82.51 6.28 17.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.451 179.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 69.63 4.18 44.84 Favored Glycine 0 C--N 1.33 0.2 0 C-N-CA 121.234 -0.507 . . . . 0.0 113.045 175.328 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' B' ' 54' ' ' LEU . 4.5 pp -82.6 -17.69 43.89 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.35 0.595 . . . . 0.0 109.61 -179.603 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -115.61 170.2 8.62 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.379 174.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -75.7 -68.08 0.61 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.235 0.54 . . . . 0.0 110.449 179.093 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 72.3 p -165.34 176.27 8.46 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 115.216 -0.902 . . . . 0.0 109.918 -178.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 73.8 t -62.98 -27.41 43.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.254 0.55 . . . . 0.0 110.151 178.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 30.7 mtmm -68.6 -24.49 64.59 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.476 -176.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -74.68 -31.92 62.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.299 0.571 . . . . 0.0 109.963 179.098 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 . . . . . 0 CA--C 1.513 -0.466 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.442 176.09 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . 0.41 HG12 ' HD2' ' B' ' 113' ' ' ARG . 0.7 OUTLIER . . . . . 0 CA--C 1.509 -0.606 0 N-CA-C 108.407 -0.961 . . . . 0.0 108.407 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 20.8 tp -57.84 100.98 0.06 Allowed 'General case' 0 C--N 1.312 -1.048 0 CA-C-O 121.277 0.56 . . . . 0.0 111.071 -177.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 76' ' ' TRP . . . . . 0.589 ' CE2' ' HG3' ' B' ' 117' ' ' LYS . 92.5 m95 -100.75 110.09 22.16 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.416 178.483 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 76.0 p -103.91 178.87 4.43 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 173.181 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.3 -45.98 87.46 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.53 -0.843 . . . . 0.0 112.154 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -71.93 -40.62 68.62 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.862 0.363 . . . . 0.0 110.5 -179.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 80' ' ' GLN . . . . . 0.49 ' O ' ' HB3' ' B' ' 83' ' ' GLU . 0.0 OUTLIER -65.83 -37.3 85.85 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.254 -177.624 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 81' ' ' GLU . . . . . 0.456 ' HA ' ' CE3' ' B' ' 76' ' ' TRP . 36.1 tt0 -72.01 -35.62 69.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.99 0.424 . . . . 0.0 110.399 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 25.6 tp -61.59 -37.02 82.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.087 175.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . 0.49 ' HB3' ' O ' ' B' ' 80' ' ' GLN . 40.5 tt0 -53.29 -49.57 66.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.668 177.266 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . 0.404 ' HB2' ' CH2' ' B' ' 76' ' ' TRP . 53.5 tp -60.37 -48.53 81.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.484 178.011 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.71 -48.3 72.66 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.976 -178.267 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 44.0 mtp180 -66.93 -49.49 65.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.154 -178.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 12.5 tp -63.75 -40.5 96.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.096 -175.275 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.593 ' CE2' HD23 ' B' ' 118' ' ' LEU . 53.5 t80 -51.14 -48.47 61.79 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 122.683 0.393 . . . . 0.0 111.79 174.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -68.74 -24.25 64.43 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.371 0.605 . . . . 0.0 111.241 -178.105 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -77.21 -37.81 52.66 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.036 -0.984 . . . . 0.0 111.928 -176.2 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -107.36 4.41 26.37 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -175.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 92' ' ' ARG . . . . . 0.415 ' HA ' ' HB ' ' B' ' 97' ' ' VAL . 16.5 ptm180 -73.79 -11.07 60.27 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.956 -0.297 . . . . 0.0 111.662 -176.452 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -74.39 -0.33 16.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.913 0.387 . . . . 0.0 110.99 176.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 9.4 t -105.32 175.05 5.62 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 177.094 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -76.93 -33.51 57.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.912 0.386 . . . . 0.0 111.179 -176.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -124.86 97.47 5.28 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 178.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 97' ' ' VAL . . . . . 0.596 ' O ' HG12 ' B' ' 101' ' ' ILE . 8.9 p -76.81 -36.88 27.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.071 -176.47 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . 0.564 ' O ' ' HG3' ' B' ' 102' ' ' MET . 1.0 OUTLIER -66.05 -42.0 90.07 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.107 -0.497 . . . . 0.0 112.113 -171.891 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -63.6 -31.73 81.78 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.556 -0.83 . . . . 0.0 112.137 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 13.1 m170 -75.23 -31.44 60.85 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 101' ' ' ILE . . . . . 0.653 ' O ' ' HB ' ' B' ' 105' ' ' ILE . 51.3 mm -59.61 -53.29 50.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.766 173.02 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 102' ' ' MET . . . . . 0.564 ' HG3' ' O ' ' B' ' 98' ' ' LEU . 27.5 mtp -67.09 -36.96 83.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.152 -173.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 5.3 tptm -80.08 -18.29 50.37 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.58 -172.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -117.85 10.88 13.35 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.838 0.351 . . . . 0.0 111.702 -177.275 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 105' ' ' ILE . . . . . 0.653 ' HB ' ' O ' ' B' ' 101' ' ' ILE . 10.7 tp -98.25 159.59 3.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.563 0.697 . . . . 0.0 111.964 -172.325 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 106' ' ' THR . . . . . 0.466 ' N ' HG13 ' B' ' 105' ' ' ILE . 3.7 t -79.58 -24.14 42.25 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.84 -1.073 . . . . 0.0 111.493 -179.307 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 107' ' ' ALA . . . . . 0.417 ' O ' HG22 ' B' ' 105' ' ' ILE . . . -102.2 169.96 8.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.257 -174.021 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 6.2 mmpt? -92.48 102.86 15.32 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 171.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.84 122.6 46.83 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.615 -175.058 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 62.1 p -97.23 151.09 20.19 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 167.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -59.92 -33.97 72.59 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -171.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -54.38 -38.14 65.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.977 0.418 . . . . 0.0 111.239 177.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 113' ' ' ARG . . . . . 0.41 ' HD2' HG12 ' B' ' 74' ' ' VAL . 21.4 mtt180 -84.33 -29.36 26.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.142 0.496 . . . . 0.0 110.227 -176.248 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 85.6 mt -71.31 -47.74 58.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.63 -178.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 115' ' ' VAL . . . . . 0.515 ' O ' HD12 ' B' ' 119' ' ' LEU . 17.8 m -65.47 -36.84 78.63 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.542 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.331 -177.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -55.7 -45.63 77.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.897 0.38 . . . . 0.0 110.345 175.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . 0.589 ' HG3' ' CE2' ' B' ' 76' ' ' TRP . 37.7 mmtt -73.55 -37.16 65.67 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.66 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . 0.593 HD23 ' CE2' ' B' ' 88' ' ' PHE . 2.3 tp -62.18 -46.15 90.21 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.066 0.46 . . . . 0.0 110.854 -179.127 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 119' ' ' LEU . . . . . 0.515 HD12 ' O ' ' B' ' 115' ' ' VAL . 10.0 mp -71.8 -18.82 62.07 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.64 179.728 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -83.49 -35.34 24.95 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.298 -179.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 121' ' ' LEU . . . . . 0.547 HD11 ' O ' ' B' ' 117' ' ' LYS . 10.5 mp -69.77 -24.63 63.54 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.238 167.359 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 75.88 33.02 52.05 Favored Glycine 0 N--CA 1.444 -0.825 0 CA-C-N 114.76 -1.109 . . . . 0.0 111.899 -178.384 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . 0.529 HD12 ' CD1' ' B' ' 88' ' ' PHE . 90.0 mt -74.41 -25.16 59.29 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.934 0.873 . . . . 0.0 108.705 177.419 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 124' ' ' VAL . . . . . 0.5 HG23 ' CD2' ' B' ' 130' ' ' LEU . 24.0 m -141.88 163.23 19.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 113.964 -1.471 . . . . 0.0 109.367 175.821 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -102.65 -13.17 17.22 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.114 0.483 . . . . 0.0 110.51 177.08 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 126' ' ' GLU . . . . . 0.434 ' O ' HD21 ' B' ' 130' ' ' LEU . 15.3 pt-20 -153.44 172.21 17.46 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.263 -179.093 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 127' ' ' ARG . . . . . 0.737 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 0.6 OUTLIER -79.59 -21.76 44.59 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.074 0.464 . . . . 0.0 111.029 -177.802 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 128' ' ' ARG . . . . . . . . . . . . . 28.6 ttm180 -56.1 -38.0 70.15 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -176.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -74.05 -17.41 60.97 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 -173.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 130' ' ' LEU . . . . . 0.737 ' HG ' ' O ' ' B' ' 127' ' ' ARG . 0.1 OUTLIER -92.54 -8.85 43.27 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.141 0.496 . . . . 0.0 110.595 -178.549 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 131' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 . . . . . 0 C--N 1.326 -0.426 0 N-CA-C 107.667 -1.235 . . . . 0.0 107.667 173.731 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' TRP . . . . . 0.459 ' CH2' HG22 ' B' ' 43' ' ' VAL . 56.0 m95 . . . . . 0 CA--C 1.518 -0.251 0 CA-C-O 121.016 0.436 . . . . 0.0 111.588 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' SER . . . . . 0.512 ' OG ' ' HB2' ' B' ' 13' ' ' GLU . 15.8 p -75.15 159.93 81.42 Favored Pre-proline 0 C--N 1.318 -0.774 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.196 173.443 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -50.67 -43.97 43.05 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.532 2.155 . . . . 0.0 112.275 179.026 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -68.78 -27.59 66.02 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.707 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.512 ' HB2' ' OG ' ' B' ' 10' ' ' SER . 3.1 tt0 -74.09 -44.19 54.89 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.614 -175.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -68.73 -28.63 66.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.058 0.456 . . . . 0.0 109.924 175.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . 0.444 ' O ' ' HB2' ' B' ' 19' ' ' GLU . . . -64.78 -36.74 85.29 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.172 174.346 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.445 ' HA ' ' CB ' ' B' ' 19' ' ' GLU . 8.9 t-160 -76.3 -30.82 57.9 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.833 176.67 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 25.6 tp -63.58 -47.88 79.68 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 178.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . 0.771 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 10.5 ptm180 -70.97 -35.71 72.26 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 174.695 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . 0.445 ' CB ' ' HA ' ' B' ' 16' ' ' HIS . 11.5 tp10 -49.1 -55.16 13.07 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.96 0.886 . . . . 0.0 110.589 -178.636 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.451 ' CD1' ' HB2' ' B' ' 39' ' ' HIS . 1.0 OUTLIER -66.54 -35.99 81.6 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.598 -1.183 . . . . 0.0 111.827 -178.885 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 68.8 t80 -70.64 -39.41 73.69 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.617 -175.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.771 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 49.1 mt -64.63 -25.17 67.84 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.328 179.348 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.43 -56.68 3.61 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.975 178.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' ASN . . . . . 0.466 ' N ' HD21 ' B' ' 24' ' ' ASN . 0.9 OUTLIER -79.83 -1.57 39.56 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -170.946 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.08 -21.21 64.98 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 120.656 -0.417 . . . . 0.0 110.935 177.009 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -98.87 3.56 47.3 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.015 -179.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 50.0 t -97.86 107.23 19.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 176.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -101.48 148.54 25.07 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.173 -179.351 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.35 1.26 66.73 Favored Glycine 0 N--CA 1.445 -0.709 0 N-CA-C 110.256 -1.138 . . . . 0.0 110.256 -171.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -129.6 149.33 51.41 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.948 -0.626 . . . . 0.0 109.614 177.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -70.34 129.27 38.87 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 172.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . 0.672 ' O ' HG12 ' B' ' 36' ' ' ILE . 2.2 p -79.49 -45.33 23.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 C-N-CA 119.832 -0.747 . . . . 0.0 111.032 -178.291 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . 0.691 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 14.4 p -70.34 -42.89 78.72 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.401 0 C-N-CA 120.985 -0.286 . . . . 0.0 110.397 -174.147 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.446 ' HA ' HD13 ' B' ' 37' ' ' LEU . 1.3 tm-20 -62.79 -40.17 96.49 Favored 'General case' 0 N--CA 1.444 -0.753 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 178.441 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . 0.528 ' O ' ' HD2' ' B' ' 39' ' ' HIS . . . -54.24 -51.17 65.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.017 175.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.672 HG12 ' O ' ' B' ' 32' ' ' VAL . 11.7 mm -57.25 -63.61 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.177 -178.083 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.691 ' HG ' ' O ' ' B' ' 33' ' ' VAL . 2.1 pp -65.43 -20.75 66.5 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.506 -175.426 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.63 -48.12 64.86 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.914 0.388 . . . . 0.0 111.211 176.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' HIS . . . . . 0.528 ' HD2' ' O ' ' B' ' 35' ' ' ALA . 50.2 m-70 -80.7 -21.47 41.22 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.678 -175.342 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.8 81.16 3.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.878 0.371 . . . . 0.0 110.164 172.266 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 -87.28 35.0 0.69 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.708 0.766 . . . . 0.0 109.334 177.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 8.0 t -108.34 -20.5 13.11 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.817 -179.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . 0.459 HG22 ' CH2' ' B' ' 9' ' ' TRP . 6.8 m -134.77 117.25 12.87 Favored Pre-proline 0 C--O 1.234 0.246 0 CA-C-O 121.016 0.436 . . . . 0.0 112.073 -175.207 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo -76.02 89.94 1.2 Allowed 'Trans proline' 0 N--CA 1.463 -0.318 0 C-N-CA 122.813 2.342 . . . . 0.0 110.567 169.047 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 23.5 mtp180 -139.34 173.71 11.26 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.793 -174.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 15.2 t -96.99 168.21 10.61 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.835 -179.092 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . 0.538 ' HA ' ' CD2' ' B' ' 37' ' ' LEU . 0.3 OUTLIER -56.97 -44.13 82.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.45 -0.796 . . . . 0.0 111.538 -177.233 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 31.6 ttpt -53.85 -33.76 57.28 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.538 -0.755 . . . . 0.0 112.215 -176.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -74.82 -40.03 61.31 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.949 -171.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . 0.47 ' CD1' ' HB3' ' B' ' 37' ' ' LEU . 2.5 mp -69.43 -45.27 79.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 177.112 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . 0.501 HG22 HG13 ' B' ' 63' ' ' VAL . 81.1 mt -48.66 -47.23 15.52 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-O 121.563 0.697 . . . . 0.0 110.921 178.792 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' HIS . . . . . 0.473 ' HB3' ' NE2' ' B' ' 56' ' ' GLN . 3.0 m-70 -65.49 -53.39 43.23 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 114.919 -1.037 . . . . 0.0 112.894 -172.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 73.4 m-70 -58.38 -36.89 74.21 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 112.038 0.385 . . . . 0.0 112.038 -173.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . 0.441 ' O ' ' HG ' ' B' ' 59' ' ' LEU . 79.5 mt -67.8 -43.33 79.93 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.219 -176.301 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . 0.42 HG11 ' C ' ' B' ' 62' ' ' SER . 13.3 m -78.84 -25.19 13.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.251 0.548 . . . . 0.0 109.984 178.014 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' GLN . . . . . 0.473 ' NE2' ' HB3' ' B' ' 52' ' ' HIS . 59.2 mt-30 -70.14 -32.73 70.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.752 175.518 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 73.6 mtm -82.23 3.23 28.24 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.982 177.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 67.95 10.17 58.26 Favored Glycine 0 N--CA 1.451 -0.345 0 CA-C-N 116.01 -0.541 . . . . 0.0 113.058 174.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' B' ' 54' ' ' LEU . 4.5 pp -91.69 -16.89 26.3 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.32 0.581 . . . . 0.0 109.701 179.476 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -118.97 153.95 33.82 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.279 175.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -64.64 -69.62 0.28 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.633 -176.187 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 62' ' ' SER . . . . . 0.488 ' HB2' ' NZ ' ' B' ' 64' ' ' LYS . 25.2 m -158.69 175.21 13.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.685 -0.688 . . . . 0.0 109.746 -176.572 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 63' ' ' VAL . . . . . 0.501 HG13 HG22 ' B' ' 51' ' ' ILE . 16.3 m -69.23 -24.31 27.75 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.617 0 CA-C-O 121.357 0.599 . . . . 0.0 111.554 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . 0.488 ' NZ ' ' HB2' ' B' ' 62' ' ' SER . 15.6 mtmm -44.62 -50.36 9.79 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.51 -1.223 . . . . 0.0 110.853 174.68 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -71.51 -6.84 43.55 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 113.498 -1.683 . . . . 0.0 111.062 -171.372 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 . . . . . 0 N--CA 1.452 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.142 177.846 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 3.1 m . . . . . 0 N--CA 1.434 -1.269 0 N-CA-C 106.71 -1.589 . . . . 0.0 106.71 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.16 93.01 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 -171.535 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 76' ' ' TRP . . . . . 0.564 ' CZ3' ' HG2' ' B' ' 80' ' ' GLN . 60.2 m95 -92.5 108.97 20.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.271 0.557 . . . . 0.0 111.076 -174.647 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 56.9 p -106.9 166.49 10.56 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.421 176.097 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -55.66 -30.64 56.62 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.276 178.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -77.0 -46.66 23.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 122.923 -0.163 . . . . 0.0 111.013 177.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 80' ' ' GLN . . . . . 0.564 ' HG2' ' CZ3' ' B' ' 76' ' ' TRP . 29.6 tt0 -67.7 -36.66 81.06 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 120.504 -0.478 . . . . 0.0 111.01 -177.786 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -65.99 -37.28 85.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.928 0.394 . . . . 0.0 110.208 178.461 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 19.1 tp -70.51 -35.57 73.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.209 174.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . 0.475 ' CD ' HH21 ' B' ' 86' ' ' ARG . 6.1 tp10 -62.44 -39.21 92.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.105 179.729 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . 0.479 HD21 ' CH2' ' B' ' 76' ' ' TRP . 52.4 tp -63.79 -36.94 85.53 Favored 'General case' 0 C--O 1.225 -0.212 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.267 177.133 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . 0.5 ' O ' ' HG3' ' B' ' 89' ' ' GLU . 17.0 tt0 -62.3 -56.04 22.37 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.141 178.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 86' ' ' ARG . . . . . 0.475 HH21 ' CD ' ' B' ' 83' ' ' GLU . 20.1 mtm180 -56.63 -41.75 77.66 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.286 0.565 . . . . 0.0 110.831 179.613 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 87' ' ' LEU . . . . . 0.499 ' CD2' HG22 ' B' ' 101' ' ' ILE . 16.7 tp -64.91 -48.53 73.85 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.02 -179.761 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.543 ' CE1' HD23 ' B' ' 118' ' ' LEU . 2.1 t80 -62.58 -43.25 99.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.231 -177.148 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . 0.5 ' HG3' ' O ' ' B' ' 85' ' ' GLN . 52.5 mt-10 -62.16 -37.85 86.79 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.281 0.563 . . . . 0.0 111.039 -178.715 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -79.21 -33.23 43.97 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.398 -0.819 . . . . 0.0 112.285 -174.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -90.4 -8.41 50.7 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -177.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 92' ' ' ARG . . . . . 0.49 ' HG2' ' O ' ' B' ' 89' ' ' GLU . 12.9 ptm180 -75.98 -11.19 59.91 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.33 0.586 . . . . 0.0 109.993 177.06 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -79.44 -1.34 36.89 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.786 173.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 23.2 m -104.94 -164.23 1.02 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.504 178.087 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 20.2 p-10 -84.01 -49.83 8.57 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -175.332 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 96' ' ' ASP . . . . . 0.546 ' O ' ' HD2' ' B' ' 100' ' ' HIS . 11.0 t0 -124.28 98.95 5.99 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 176.697 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 97' ' ' VAL . . . . . 0.478 ' O ' HG13 ' B' ' 101' ' ' ILE . 7.4 p -56.58 -43.69 79.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.786 -175.187 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . 0.643 ' O ' ' HG3' ' B' ' 102' ' ' MET . 5.8 mp -76.72 -41.21 46.01 Favored 'General case' 0 CA--C 1.516 -0.349 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -172.478 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -56.57 -39.06 84.32 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.628 -0.796 . . . . 0.0 111.749 177.222 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 100' ' ' HIS . . . . . 0.546 ' HD2' ' O ' ' B' ' 96' ' ' ASP . 45.6 m-70 -76.46 -33.91 58.71 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 -179.717 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 101' ' ' ILE . . . . . 0.521 ' O ' HG21 ' B' ' 105' ' ' ILE . 18.9 mt -56.05 -59.27 2.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.741 172.691 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 102' ' ' MET . . . . . 0.643 ' HG3' ' O ' ' B' ' 98' ' ' LEU . 59.6 mtp -60.17 -30.19 69.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.783 -170.459 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -92.39 -27.1 17.73 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 121.033 -0.267 . . . . 0.0 111.516 -175.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -93.79 -23.18 18.27 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -174.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 105' ' ' ILE . . . . . 0.521 HG21 ' O ' ' B' ' 101' ' ' ILE . 10.8 tp -90.04 154.83 3.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 121.64 0.734 . . . . 0.0 111.153 -174.132 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 106' ' ' THR . . . . . 0.45 ' N ' HG13 ' B' ' 105' ' ' ILE . 12.6 t -55.49 -29.24 58.44 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.257 -1.338 . . . . 0.0 112.682 -177.21 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 107' ' ' ALA . . . . . 0.422 ' O ' HG23 ' B' ' 105' ' ' ILE . . . -112.73 128.79 56.51 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.331 -177.202 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 108' ' ' LYS . . . . . 0.499 ' N ' ' HE3' ' B' ' 108' ' ' LYS . 0.2 OUTLIER -75.89 101.55 5.2 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 174.043 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 109' ' ' ARG . . . . . 0.565 ' O ' ' HE3' ' B' ' 102' ' ' MET . 44.7 mtt180 -112.07 137.68 49.77 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.845 -176.189 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 15.3 m -75.28 159.63 31.28 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.265 -175.451 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 10.2 mmt180 -57.98 -51.21 70.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.098 -177.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -64.55 -22.11 66.88 Favored 'General case' 0 C--O 1.224 -0.24 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.169 -179.377 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 113' ' ' ARG . . . . . 0.535 ' NE ' ' HE1' ' B' ' 76' ' ' TRP . 0.0 OUTLIER -80.41 -48.99 12.06 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.49 0.662 . . . . 0.0 109.796 179.59 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 89.4 mt -59.59 -48.94 85.54 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.007 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.439 -177.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 115' ' ' VAL . . . . . 0.646 ' O ' HD22 ' B' ' 119' ' ' LEU . 9.8 m -65.08 -37.48 80.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.574 -178.156 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -59.18 -37.3 77.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.377 0.608 . . . . 0.0 110.526 177.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . 0.509 ' HB2' HH21 ' B' ' 113' ' ' ARG . 15.4 tppt? -77.98 -37.46 47.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.592 -179.57 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . 0.543 HD23 ' CE1' ' B' ' 88' ' ' PHE . 0.9 OUTLIER -58.85 -42.61 89.76 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.418 0.628 . . . . 0.0 110.208 175.59 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 119' ' ' LEU . . . . . 0.646 HD22 ' O ' ' B' ' 115' ' ' VAL . 3.7 mm? -67.0 -26.99 67.07 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.648 -1.16 . . . . 0.0 110.919 178.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -80.52 -36.45 33.18 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.671 -177.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 10.9 mp -69.76 -24.18 63.49 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-O 121.34 0.591 . . . . 0.0 109.971 170.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 72.8 34.96 58.87 Favored Glycine 0 N--CA 1.441 -1.019 0 CA-C-N 115.116 -0.947 . . . . 0.0 111.487 -175.018 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 76.7 mt -71.75 -28.42 63.64 Favored 'General case' 0 CA--C 1.512 -0.482 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 175.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 124' ' ' VAL . . . . . 0.525 HG21 ' CD2' ' B' ' 130' ' ' LEU . 25.3 m -140.8 173.77 8.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 114.147 -1.388 . . . . 0.0 109.502 177.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -115.51 -10.92 11.85 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.385 0.612 . . . . 0.0 110.313 178.255 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 126' ' ' GLU . . . . . 0.494 ' OE2' ' HB3' ' B' ' 128' ' ' ARG . 9.3 pt-20 -150.49 167.89 25.82 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.364 -0.835 . . . . 0.0 109.664 -179.406 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 127' ' ' ARG . . . . . 0.714 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 0.9 OUTLIER -78.23 -21.79 49.41 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.983 0.42 . . . . 0.0 110.328 177.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 128' ' ' ARG . . . . . 0.494 ' HB3' ' OE2' ' B' ' 126' ' ' GLU . 66.8 ttt180 -63.8 -23.51 67.39 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.937 -175.779 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 129' ' ' GLU . . . . . 0.453 ' HG3' ' CG ' ' B' ' 126' ' ' GLU . 40.4 mt-10 -78.93 -25.49 43.67 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.211 0.449 . . . . 0.0 112.211 -175.543 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 130' ' ' LEU . . . . . 0.714 ' HG ' ' O ' ' B' ' 127' ' ' ARG . 0.0 OUTLIER -82.76 13.91 3.54 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.73 0.776 . . . . 0.0 110.222 -176.864 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 131' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 . . . . . 0 C--N 1.313 -1.006 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 176.709 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 83.6 m95 . . . . . 0 N--CA 1.455 -0.222 0 CA-C-O 121.046 0.451 . . . . 0.0 111.922 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 37.6 t -76.61 149.41 80.98 Favored Pre-proline 0 C--N 1.322 -0.629 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 169.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -53.71 -29.86 53.52 Favored 'Trans proline' 0 CA--C 1.531 0.346 0 C-N-CA 122.495 2.13 . . . . 0.0 111.549 176.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -70.04 -31.05 68.5 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.627 177.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -84.66 -38.08 20.23 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.738 -176.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -64.9 -33.33 75.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.203 0.525 . . . . 0.0 110.283 177.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.88 -33.15 71.85 Favored 'General case' 0 C--O 1.221 -0.418 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.953 174.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.439 ' HA ' ' HB3' ' B' ' 19' ' ' GLU . 12.4 t-160 -71.55 -28.32 63.78 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.326 175.806 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 20.1 tp -66.42 -46.91 74.94 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.517 177.382 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . 0.724 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 13.8 ptp180 -73.65 -29.91 62.62 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 175.745 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . 0.439 ' HB3' ' HA ' ' B' ' 16' ' ' HIS . 16.0 tp10 -52.74 -55.38 23.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.417 0.627 . . . . 0.0 110.455 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.442 ' HB3' HG12 ' B' ' 36' ' ' ILE . 0.3 OUTLIER -68.16 -27.62 66.58 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.06 -0.973 . . . . 0.0 111.006 -178.561 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -73.29 -52.82 12.55 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.297 179.207 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.724 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 52.4 mt -60.9 -25.47 66.76 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.468 -178.089 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.42 -56.68 4.58 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.172 176.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' ASN . . . . . 0.579 ' O ' HG22 ' B' ' 27' ' ' VAL . 40.3 m-80 -97.54 20.23 12.12 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -171.115 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.579 ' HG3' ' OD1' ' B' ' 26' ' ' ASP . 12.8 ptmm? -79.93 -23.15 41.93 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 122.014 -0.428 . . . . 0.0 110.779 178.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' ASP . . . . . 0.579 ' OD1' ' HG3' ' B' ' 25' ' ' LYS . 1.4 m-20 -100.78 13.17 35.81 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.628 -174.616 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . 0.579 HG22 ' O ' ' B' ' 24' ' ' ASN . 22.1 m -90.94 141.21 14.75 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.791 0 CA-C-O 120.977 0.418 . . . . 0.0 110.079 177.512 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -120.91 136.61 54.91 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 -179.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.26 -0.83 69.1 Favored Glycine 0 N--CA 1.45 -0.387 0 N-CA-C 110.494 -1.042 . . . . 0.0 110.494 -172.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -136.81 148.79 47.38 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 114.633 -0.783 . . . . 0.0 109.577 179.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -86.17 136.1 33.33 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.176 173.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . 0.624 ' O ' HG13 ' B' ' 36' ' ' ILE . 13.4 p -67.12 -37.32 79.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 172.696 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . 0.744 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 0.2 OUTLIER -56.63 -57.1 10.57 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 CA-C-N 115.052 -0.976 . . . . 0.0 110.495 178.872 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -53.25 -38.04 62.65 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.404 -177.125 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.52 -53.12 59.52 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.591 176.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.624 HG13 ' O ' ' B' ' 32' ' ' VAL . 36.2 mt -62.61 -59.47 4.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.128 -177.252 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.744 ' HG ' ' O ' ' B' ' 33' ' ' VAL . 8.8 mt -49.04 -41.6 35.56 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 123.922 0.764 . . . . 0.0 111.553 -173.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.79 -34.84 16.94 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.437 -0.801 . . . . 0.0 113.069 -170.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 31.8 m-70 -78.11 -29.54 49.02 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -172.278 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' B' ' 36' ' ' ILE . 0.7 OUTLIER -93.32 81.07 4.42 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.893 0.854 . . . . 0.0 111.478 178.735 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 51.5 m-80 -81.41 42.94 0.7 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.704 177.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' THR . . . . . 0.439 HG22 ' HB2' ' B' ' 40' ' ' LEU . 3.5 t -105.63 -18.6 14.03 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 114.798 -1.092 . . . . 0.0 109.882 -178.706 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . 0.439 ' HB ' HH11 ' B' ' 45' ' ' ARG . 3.4 m -133.18 107.08 12.33 Favored Pre-proline 0 N--CA 1.454 -0.259 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.969 -178.307 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_exo -65.88 99.98 0.41 Allowed 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 122.464 2.109 . . . . 0.0 111.048 169.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . 0.439 HH11 ' HB ' ' B' ' 43' ' ' VAL . 4.7 ptm180 -156.29 169.83 23.66 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-O 120.922 0.392 . . . . 0.0 110.983 179.777 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 14.7 t -75.8 162.23 28.35 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.907 175.478 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . 0.542 ' N ' ' HD3' ' B' ' 47' ' ' ARG . 0.3 OUTLIER -74.18 -25.35 59.66 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.327 -172.646 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -55.18 -35.25 64.61 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.207 175.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -64.78 -43.5 93.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.248 -176.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . 0.426 ' HB ' ' CD2' ' B' ' 37' ' ' LEU . 3.0 mp -61.87 -51.7 69.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.389 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . 0.436 HG22 ' CG ' ' B' ' 66' ' ' PHE . 68.7 mt -56.71 -42.36 76.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.653 179.181 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -63.59 -46.17 87.07 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.202 -0.908 . . . . 0.0 112.607 -174.779 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 85.6 m-70 -68.67 -27.33 65.89 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 120.299 -0.56 . . . . 0.0 111.559 -178.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 70.0 mt -72.82 -46.02 55.32 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.235 0.541 . . . . 0.0 110.501 -176.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . 0.492 HG11 ' C ' ' B' ' 62' ' ' SER . 20.3 m -74.5 -24.78 18.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 121.416 0.627 . . . . 0.0 110.414 179.634 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -83.72 -17.84 39.91 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.098 178.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 7.1 ttp -90.55 5.51 47.5 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.455 0.645 . . . . 0.0 110.288 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 77.41 2.41 79.56 Favored Glycine 0 N--CA 1.453 -0.232 0 CA-C-N 115.859 -0.61 . . . . 0.0 113.651 172.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 4.4 pp -90.55 -13.32 34.78 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.113 0.482 . . . . 0.0 110.256 178.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -137.14 166.2 24.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.862 174.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -83.74 -67.62 0.78 Allowed 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -176.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 62' ' ' SER . . . . . 0.492 ' C ' HG11 ' B' ' 55' ' ' VAL . 52.4 m -151.31 171.77 16.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.992 -173.307 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 38.7 t -58.02 -30.65 39.33 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.386 0 CA-C-O 121.484 0.659 . . . . 0.0 109.503 173.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 36.0 mttp -65.29 -21.76 66.76 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.77 -1.105 . . . . 0.0 111.025 -178.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -80.01 -31.09 39.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.38 0.61 . . . . 0.0 110.008 -179.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 66' ' ' PHE . . . . . 0.436 ' CG ' HG22 ' B' ' 51' ' ' ILE . 20.2 m-85 . . . . . 0 CA--C 1.511 -0.53 0 CA-C-O 122.132 0.968 . . . . 0.0 109.931 174.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.449 -0.513 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . 0.521 ' O ' ' HG ' ' B' ' 75' ' ' LEU . 0.7 OUTLIER -49.02 108.15 0.17 Allowed 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 121.287 0.565 . . . . 0.0 111.15 -178.185 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 76' ' ' TRP . . . . . 0.554 ' CH2' HD22 ' B' ' 84' ' ' LEU . 64.4 m95 -101.64 112.32 24.86 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.298 -177.616 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 77' ' ' THR . . . . . 0.588 ' O ' ' HG3' ' B' ' 81' ' ' GLU . 73.9 p -97.99 153.93 18.04 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 172.34 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -53.39 -34.76 49.22 Favored Glycine 0 C--N 1.329 0.176 0 C-N-CA 121.004 -0.617 . . . . 0.0 112.247 -178.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -67.27 -50.11 61.74 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.497 -0.352 . . . . 0.0 110.746 176.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -65.66 -33.3 75.56 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.819 -178.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 81' ' ' GLU . . . . . 0.588 ' HG3' ' O ' ' B' ' 77' ' ' THR . 78.7 mt-10 -62.62 -40.43 96.93 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.079 0.466 . . . . 0.0 109.927 177.186 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 41.3 tp -66.73 -40.84 88.52 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.593 176.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -58.96 -36.52 74.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.48 177.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . 0.554 HD22 ' CH2' ' B' ' 76' ' ' TRP . 58.7 tp -64.56 -50.49 67.1 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.862 173.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -55.58 -53.52 55.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.837 -177.6 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 55.0 mtm180 -63.91 -40.33 96.23 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.731 -174.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 87' ' ' LEU . . . . . 0.485 ' O ' ' HB2' ' B' ' 90' ' ' GLU . 1.4 mp -73.13 -30.35 63.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.15 0.5 . . . . 0.0 110.613 178.346 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.596 ' O ' ' HB2' ' B' ' 92' ' ' ARG . 12.9 t80 -59.98 -36.2 76.65 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.257 174.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -80.14 -32.75 38.91 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.016 0.436 . . . . 0.0 110.695 177.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . 0.485 ' HB2' ' O ' ' B' ' 87' ' ' LEU . 12.5 mm-40 -49.39 -52.73 26.56 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.254 -0.884 . . . . 0.0 112.236 178.262 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -109.28 17.5 21.46 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.091 0.472 . . . . 0.0 111.13 -175.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 92' ' ' ARG . . . . . 0.596 ' HB2' ' O ' ' B' ' 88' ' ' PHE . 37.8 ttt85 -66.91 -27.63 67.65 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.354 -177.671 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -89.28 12.42 16.12 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.176 0.512 . . . . 0.0 110.816 -179.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 15.2 m -103.71 176.25 5.21 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 176.119 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -77.59 -26.95 51.13 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.591 -179.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 96' ' ' ASP . . . . . 0.418 ' HA ' ' HB2' ' B' ' 131' ' ' TYR . 21.2 t70 -135.91 105.94 6.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.042 0.448 . . . . 0.0 110.277 176.736 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 97' ' ' VAL . . . . . 0.615 ' O ' HG13 ' B' ' 101' ' ' ILE . 11.8 p -77.5 -40.18 28.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.388 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . 0.416 ' O ' ' HG3' ' B' ' 102' ' ' MET . 3.1 mp -68.81 -44.86 72.65 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 -167.73 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 99' ' ' GLY . . . . . 0.522 ' O ' ' HD3' ' B' ' 103' ' ' LYS . . . -62.63 -28.43 71.45 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.313 -0.946 . . . . 0.0 112.07 -178.074 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 55.7 m-70 -84.67 -27.54 27.02 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -178.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 101' ' ' ILE . . . . . 0.615 HG13 ' O ' ' B' ' 97' ' ' VAL . 78.2 mt -62.75 -54.12 37.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 171.811 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 102' ' ' MET . . . . . 0.416 ' HG3' ' O ' ' B' ' 98' ' ' LEU . 49.0 mtp -59.47 -37.08 77.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.858 -172.718 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 103' ' ' LYS . . . . . 0.522 ' HD3' ' O ' ' B' ' 99' ' ' GLY . 14.3 mptt -84.87 -16.56 40.84 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 -178.027 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -110.97 10.31 22.21 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -177.105 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 105' ' ' ILE . . . . . 0.446 HG21 ' O ' ' B' ' 107' ' ' ALA . 9.7 tp -113.7 154.16 15.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.158 0.504 . . . . 0.0 111.016 179.446 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 106' ' ' THR . . . . . 0.419 ' N ' HG13 ' B' ' 105' ' ' ILE . 13.4 t -61.35 -32.56 72.45 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.312 -0.858 . . . . 0.0 112.164 -176.579 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 107' ' ' ALA . . . . . 0.446 ' O ' HG21 ' B' ' 105' ' ' ILE . . . -111.54 127.0 55.58 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.998 -0.281 . . . . 0.0 110.432 179.308 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.65 101.44 11.52 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.33 0.586 . . . . 0.0 109.934 179.001 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 109' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' B' ' 109' ' ' ARG . 40.7 mtt180 -97.11 175.46 6.29 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.266 -176.14 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 46.9 t -100.9 155.97 17.64 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.441 177.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 22.2 mmt85 -58.76 -51.22 70.89 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.005 -178.06 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -64.82 -19.71 66.0 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.861 0.362 . . . . 0.0 111.923 -175.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -83.56 -36.26 24.11 Favored 'General case' 0 CA--C 1.511 -0.528 0 CA-C-O 121.188 0.518 . . . . 0.0 110.162 177.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 74.0 mt -71.16 -49.03 51.43 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.779 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.659 -176.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 115' ' ' VAL . . . . . 0.522 ' O ' HD23 ' B' ' 119' ' ' LEU . 26.8 m -64.02 -38.77 83.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.686 179.587 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -58.56 -43.87 89.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.191 0.519 . . . . 0.0 110.48 177.356 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . 0.444 ' HD3' ' CD1' ' B' ' 76' ' ' TRP . 50.7 tptt -67.66 -40.2 84.5 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.882 179.754 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 2.6 mp -57.69 -47.31 82.7 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.847 0.356 . . . . 0.0 111.531 178.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 119' ' ' LEU . . . . . 0.522 HD23 ' O ' ' B' ' 115' ' ' VAL . 4.5 mm? -68.1 -26.2 65.7 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.765 -178.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -81.47 -38.2 26.74 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.321 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 96.6 mt -69.98 -24.18 63.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.364 175.089 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 78.56 34.9 34.11 Favored Glycine 0 N--CA 1.441 -0.988 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 -175.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 74.5 mt -79.19 -24.17 43.36 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.458 0.647 . . . . 0.0 109.383 177.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 124' ' ' VAL . . . . . 0.416 HG23 ' CD2' ' B' ' 130' ' ' LEU . 16.0 m -144.89 176.81 2.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 114.716 -1.129 . . . . 0.0 109.652 179.218 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -115.17 -18.16 11.21 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.198 0.523 . . . . 0.0 110.048 177.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 126' ' ' GLU . . . . . 0.42 ' CG ' ' HG3' ' B' ' 129' ' ' GLU . 14.4 pt-20 -147.32 170.43 17.33 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.206 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 127' ' ' ARG . . . . . 0.501 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 0.3 OUTLIER -77.84 -20.56 52.89 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 179.71 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 128' ' ' ARG . . . . . . . . . . . . . 13.5 ttm-85 -61.02 -43.93 98.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.949 0.405 . . . . 0.0 112.043 -178.005 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 129' ' ' GLU . . . . . 0.42 ' HG3' ' CG ' ' B' ' 126' ' ' GLU . 40.2 mt-10 -60.3 -29.56 68.92 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 -169.408 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 130' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' B' ' 127' ' ' ARG . 0.1 OUTLIER -84.6 -40.49 17.44 Favored 'General case' 0 C--N 1.314 -0.945 0 C-N-CA 120.725 -0.39 . . . . 0.0 111.418 -173.597 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 131' ' ' TYR . . . . . 0.418 ' HB2' ' HA ' ' B' ' 96' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 C-N-CA 119.325 -0.95 . . . . 0.0 113.492 -174.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 66.8 m95 . . . . . 0 CA--C 1.518 -0.265 0 CA-C-O 121.284 0.564 . . . . 0.0 111.796 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 45.0 p -96.66 151.86 38.18 Favored Pre-proline 0 C--N 1.316 -0.879 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 168.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_exo -56.93 -28.98 80.43 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 121.92 1.747 . . . . 0.0 111.345 178.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -65.27 -42.87 92.8 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.361 176.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -75.72 -35.58 60.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.524 -178.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -67.15 -31.59 72.12 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.1 0.476 . . . . 0.0 110.204 176.259 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.41 -34.13 77.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.124 0.488 . . . . 0.0 110.158 173.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.504 ' HA ' ' CB ' ' B' ' 19' ' ' GLU . 12.0 t-160 -76.24 -27.84 56.92 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.349 176.371 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.423 ' CD2' ' HB2' ' B' ' 53' ' ' HIS . 27.4 tp -64.48 -47.93 77.14 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 176.379 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . 0.686 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 13.1 ptt180 -75.13 -27.57 59.83 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.001 175.692 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . 0.504 ' CB ' ' HA ' ' B' ' 16' ' ' HIS . 11.1 tp10 -50.37 -52.2 39.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.508 0.671 . . . . 0.0 110.038 176.428 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.415 HD12 ' HA ' ' B' ' 36' ' ' ILE . 0.3 OUTLIER -70.53 -32.72 70.29 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 114.889 -1.05 . . . . 0.0 111.437 -178.48 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 65.8 t80 -71.36 -51.55 23.54 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-O 120.823 0.344 . . . . 0.0 110.328 -178.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.686 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 49.1 mt -59.46 -28.54 67.07 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.4 -178.444 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.73 -46.26 38.6 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.731 179.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 -97.68 -2.32 41.65 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -171.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 14.6 ptmm? -71.71 -12.41 61.3 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.07 0.462 . . . . 0.0 110.961 -179.331 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -96.94 6.69 48.17 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.338 0.589 . . . . 0.0 110.488 -176.193 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 42.6 t -112.94 108.3 25.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.092 -176.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -80.28 141.21 35.74 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.841 -179.038 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 92.93 -19.34 52.51 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.521 178.165 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -91.88 144.13 25.79 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-O 120.959 0.409 . . . . 0.0 110.356 178.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -69.16 95.72 0.77 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.686 172.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . 0.578 ' O ' HG13 ' B' ' 36' ' ' ILE . 9.8 p -62.32 -39.06 82.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 C-N-CA 120.605 -0.438 . . . . 0.0 109.973 179.325 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . 0.838 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 1.8 m -65.01 -49.18 80.9 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.542 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.104 -179.578 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 47.5 tp10 -66.37 -32.5 73.92 Favored 'General case' 0 CA--C 1.521 -0.138 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 -178.169 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.35 -49.5 74.2 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.696 173.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.578 HG13 ' O ' ' B' ' 32' ' ' VAL . 48.1 mt -68.39 -57.45 9.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.839 -179.519 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.838 ' HG ' ' O ' ' B' ' 33' ' ' VAL . 14.9 mt -48.09 -40.14 22.42 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 123.557 0.536 . . . . 0.0 111.466 -175.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -89.06 -40.29 13.06 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 -171.496 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 39.6 m-70 -74.9 -24.98 58.61 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.726 -0.39 . . . . 0.0 111.904 -171.189 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' B' ' 36' ' ' ILE . 0.8 OUTLIER -99.04 80.64 2.49 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-O 121.948 0.88 . . . . 0.0 110.224 172.464 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -85.89 39.34 0.8 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 122.206 1.003 . . . . 0.0 108.876 -179.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' THR . . . . . 0.426 ' H ' ' C ' ' B' ' 40' ' ' LEU . 2.7 t -100.42 -17.26 17.28 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.226 -1.352 . . . . 0.0 109.756 -178.345 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . 0.499 ' HB ' HH11 ' B' ' 45' ' ' ARG . 2.8 m -131.56 105.69 14.39 Favored Pre-proline 0 N--CA 1.449 -0.503 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.521 -178.184 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_exo -73.19 101.31 1.33 Allowed 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.758 2.305 . . . . 0.0 110.531 172.046 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . 0.499 HH11 ' HB ' ' B' ' 43' ' ' VAL . 0.3 OUTLIER -155.97 176.76 12.23 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.173 0.511 . . . . 0.0 111.814 -174.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' THR . . . . . 0.522 ' OG1' ' HG3' ' B' ' 49' ' ' GLN . 71.3 p -75.3 147.38 40.24 Favored 'General case' 0 N--CA 1.441 -0.925 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.545 178.457 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 8.8 mmt180 -68.68 -29.45 67.91 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.144 0.497 . . . . 0.0 109.795 -173.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -51.36 -35.99 41.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.064 -0.971 . . . . 0.0 111.487 176.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.522 ' HG3' ' OG1' ' B' ' 46' ' ' THR . 52.9 mt-30 -64.59 -45.12 88.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.263 -175.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 1.8 mp -56.24 -51.73 59.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 O-C-N 123.175 0.297 . . . . 0.0 110.791 -179.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . 0.488 HG22 ' CD1' ' B' ' 66' ' ' PHE . 2.9 mp -59.51 -43.99 91.98 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 CA-C-O 121.176 0.513 . . . . 0.0 110.282 179.285 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -64.38 -45.52 87.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.614 -176.034 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' HIS . . . . . 0.423 ' HB2' ' CD2' ' B' ' 17' ' ' LEU . 74.8 m-70 -67.31 -26.55 66.58 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 120.741 -0.384 . . . . 0.0 111.065 -176.567 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . 0.446 ' HB3' HD12 ' B' ' 59' ' ' LEU . 65.1 mt -74.43 -46.92 36.86 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.723 -179.357 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 21.1 m -73.07 -19.73 18.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.284 0.564 . . . . 0.0 110.539 178.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -84.05 -18.62 36.4 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.912 175.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 6.1 ttp -94.01 10.9 31.67 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.333 0.587 . . . . 0.0 111.1 -175.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 68.84 21.63 75.19 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.978 -0.629 . . . . 0.0 113.452 173.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . 0.446 HD12 ' HB3' ' B' ' 54' ' ' LEU . 3.8 pp -109.57 -16.11 14.03 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.428 0.632 . . . . 0.0 109.829 176.38 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -134.99 150.19 50.3 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.112 -0.949 . . . . 0.0 109.131 175.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -78.11 -56.57 4.37 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -175.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 13.2 m -149.21 172.07 15.44 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.797 -0.361 . . . . 0.0 111.548 -174.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 39.8 t -57.45 -28.16 30.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.933 179.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 28.8 mttm -61.54 -21.49 64.31 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.579 -176.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -66.9 -27.79 67.78 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.719 0.771 . . . . 0.0 109.995 178.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 66' ' ' PHE . . . . . 0.488 ' CD1' HG22 ' B' ' 51' ' ' ILE . 73.5 m-85 . . . . . 0 C--N 1.323 -0.56 0 CA-C-N 114.865 -1.061 . . . . 0.0 110.671 -177.05 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 27.9 m . . . . . 0 N--CA 1.438 -1.043 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -48.51 95.57 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.687 0.756 . . . . 0.0 111.37 -172.365 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 76' ' ' TRP . . . . . 0.444 ' HE1' ' HD2' ' B' ' 113' ' ' ARG . 18.2 m95 -91.35 108.71 20.07 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.205 -171.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 65.1 p -112.16 168.09 9.89 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.431 176.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.51 -38.41 80.41 Favored Glycine 0 CA--C 1.517 0.176 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.226 178.197 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . 0.43 ' O ' ' HG3' ' B' ' 83' ' ' GLU . 3.0 m-20 -63.05 -57.05 11.96 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.935 0.398 . . . . 0.0 110.632 178.284 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 80' ' ' GLN . . . . . 0.42 ' HG3' HH21 ' B' ' 109' ' ' ARG . 24.8 tt0 -61.11 -34.97 75.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.574 -177.076 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -66.93 -44.16 81.4 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.159 178.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 3.2 tt -61.42 -31.54 71.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.779 177.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . 0.43 ' HG3' ' O ' ' B' ' 79' ' ' ASP . 53.5 mt-10 -61.48 -56.41 20.46 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.885 0.374 . . . . 0.0 110.644 176.515 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 45.6 tp -59.11 -40.81 86.52 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.252 -173.031 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -55.64 -52.11 64.92 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 123.344 0.403 . . . . 0.0 110.889 179.198 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 86' ' ' ARG . . . . . 0.438 ' O ' ' HG2' ' B' ' 90' ' ' GLU . 50.0 mtm105 -60.55 -54.95 39.31 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.811 -175.635 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 7.5 mp -61.89 -38.05 86.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.54 -176.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.627 ' CE1' ' HB3' ' B' ' 123' ' ' LEU . 11.5 t80 -54.79 -45.03 74.26 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.323 178.395 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -71.55 -35.17 70.54 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.596 -0.274 . . . . 0.0 111.498 -176.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . 0.438 ' HG2' ' O ' ' B' ' 86' ' ' ARG . 8.7 pt-20 -88.42 -19.58 26.37 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.649 -0.421 . . . . 0.0 111.951 -171.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -104.6 8.67 35.38 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.206 0.527 . . . . 0.0 110.27 173.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 92' ' ' ARG . . . . . 0.443 ' HB2' ' O ' ' B' ' 88' ' ' PHE . 53.3 ttt180 -67.89 -22.7 65.08 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.838 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -95.65 10.76 35.68 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.162 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 38.7 m -102.9 177.48 4.83 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.279 -177.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -67.68 -38.88 84.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.959 -174.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -143.84 108.3 4.83 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 173.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 97' ' ' VAL . . . . . 0.563 ' O ' HG13 ' B' ' 101' ' ' ILE . 3.5 p -63.31 -41.83 94.16 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.268 -175.223 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . 0.421 ' O ' ' HB ' ' B' ' 101' ' ' ILE . 4.7 mp -67.28 -43.14 82.54 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 111.706 0.261 . . . . 0.0 111.706 -175.647 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 99' ' ' GLY . . . . . 0.619 ' O ' ' HD3' ' B' ' 103' ' ' LYS . . . -63.26 -42.41 99.31 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 121.08 -0.581 . . . . 0.0 112.074 179.796 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 31.5 m-70 -71.2 -30.57 66.55 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 101' ' ' ILE . . . . . 0.563 HG13 ' O ' ' B' ' 97' ' ' VAL . 48.6 mt -57.64 -56.8 13.32 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.237 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.772 170.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 102' ' ' MET . . . . . 0.556 ' HE1' ' O ' ' B' ' 109' ' ' ARG . 50.9 mtt -55.1 -40.95 71.02 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.094 -0.503 . . . . 0.0 112.349 -175.572 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 103' ' ' LYS . . . . . 0.619 ' HD3' ' O ' ' B' ' 99' ' ' GLY . 5.1 mptp? -69.94 -34.97 74.14 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.531 -178.676 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 48.6 m-80 -100.72 3.09 42.02 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -174.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 105' ' ' ILE . . . . . 0.45 HG13 ' H ' ' B' ' 107' ' ' ALA . 10.8 tp -104.09 148.09 9.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.156 0.503 . . . . 0.0 111.005 -178.159 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.0 -37.52 64.38 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.701 -178.723 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 107' ' ' ALA . . . . . 0.45 ' H ' HG13 ' B' ' 105' ' ' ILE . . . -86.88 128.71 35.05 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-O 120.789 0.328 . . . . 0.0 110.765 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.91 101.05 13.67 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 176.68 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 109' ' ' ARG . . . . . 0.556 ' O ' ' HE1' ' B' ' 102' ' ' MET . 33.2 mtt180 -111.82 166.01 11.57 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.438 -175.696 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 110' ' ' SER . . . . . 0.475 ' O ' HG13 ' B' ' 114' ' ' ILE . 42.8 t -98.68 154.58 17.85 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 176.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 73.6 mtt180 -63.75 -38.12 89.92 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -175.071 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -55.53 -38.4 69.19 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.362 0.601 . . . . 0.0 111.11 178.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 113' ' ' ARG . . . . . 0.695 ' O ' ' HD3' ' B' ' 113' ' ' ARG . 6.8 tpp180 -84.65 -24.12 29.19 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.506 -178.468 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 114' ' ' ILE . . . . . 0.475 HG13 ' O ' ' B' ' 110' ' ' SER . 87.2 mt -73.86 -49.78 32.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 122.036 -0.415 . . . . 0.0 110.837 175.312 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 115' ' ' VAL . . . . . 0.485 ' O ' HD22 ' B' ' 119' ' ' LEU . 30.1 m -62.28 -38.83 82.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.18 -175.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 116' ' ' ASP . . . . . 0.411 ' HB3' ' NH1' ' B' ' 113' ' ' ARG . 20.5 t70 -67.21 -34.8 78.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.209 0.528 . . . . 0.0 110.297 179.14 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 52.3 tptt -70.03 -33.67 72.27 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.022 -176.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 17.1 mt -60.63 -44.88 95.84 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 121.012 0.434 . . . . 0.0 110.289 176.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 119' ' ' LEU . . . . . 0.485 HD22 ' O ' ' B' ' 115' ' ' VAL . 4.4 mm? -60.89 -28.93 69.25 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.942 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.96 -38.93 52.34 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.031 -177.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 11.0 mp -75.21 -25.34 58.09 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.764 175.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 80.55 32.8 32.92 Favored Glycine 0 N--CA 1.446 -0.682 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 -173.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . 0.627 ' HB3' ' CE1' ' B' ' 88' ' ' PHE . 78.4 mt -78.29 -24.41 46.74 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-O 121.748 0.785 . . . . 0.0 109.244 179.083 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 124' ' ' VAL . . . . . 0.439 HG22 ' CD2' ' B' ' 130' ' ' LEU . 29.0 m -137.13 168.01 22.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 114.229 -1.35 . . . . 0.0 109.839 175.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -99.48 -20.28 16.5 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 115.685 -0.688 . . . . 0.0 109.982 177.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 126' ' ' GLU . . . . . 0.445 ' OE2' ' HB3' ' B' ' 128' ' ' ARG . 16.5 pt-20 -160.21 177.99 10.1 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.05 -176.636 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 127' ' ' ARG . . . . . 0.652 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 0.3 OUTLIER -77.79 -25.65 49.12 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.741 0.305 . . . . 0.0 111.485 -179.337 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 128' ' ' ARG . . . . . 0.445 ' HB3' ' OE2' ' B' ' 126' ' ' GLU . 15.7 ttt180 -55.81 -35.54 66.44 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -178.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -69.1 -25.29 64.35 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.761 0.315 . . . . 0.0 111.657 -176.273 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 130' ' ' LEU . . . . . 0.652 ' HG ' ' O ' ' B' ' 127' ' ' ARG . 0.1 OUTLIER -99.93 14.44 30.46 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.343 0.592 . . . . 0.0 110.638 -178.482 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 131' ' ' TYR . . . . . 0.498 ' CE1' ' HB3' ' B' ' 127' ' ' ARG . 22.1 m-85 . . . . . 0 C--N 1.32 -0.714 0 N-CA-C 107.377 -1.342 . . . . 0.0 107.377 172.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' TRP . . . . . 0.499 ' CZ2' HG22 ' B' ' 43' ' ' VAL . 79.6 m95 . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.861 0.362 . . . . 0.0 110.605 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 14.6 m -68.83 151.33 97.31 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.336 173.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -47.73 -41.3 31.34 Favored 'Trans proline' 0 CA--C 1.53 0.319 0 C-N-CA 122.821 2.348 . . . . 0.0 113.01 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -60.4 -42.71 96.5 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.095 0.474 . . . . 0.0 110.387 177.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -71.51 -32.7 68.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.216 -176.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . 0.402 ' O ' ' HB3' ' B' ' 17' ' ' LEU . 54.2 mt-10 -71.21 -34.4 70.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.057 0.456 . . . . 0.0 110.188 175.698 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.09 -28.6 67.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.234 0.54 . . . . 0.0 109.923 174.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.525 ' O ' ' HB3' ' B' ' 19' ' ' GLU . 11.5 t-160 -79.02 -31.42 44.67 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.1 175.43 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.446 HD12 HG21 ' B' ' 50' ' ' ILE . 27.6 tp -58.61 -53.47 57.96 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.626 174.27 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . 0.735 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 14.9 ptm180 -71.32 -28.39 64.06 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.547 177.155 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . 0.525 ' HB3' ' O ' ' B' ' 16' ' ' HIS . 8.6 tp10 -51.8 -50.03 61.56 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 121.66 0.743 . . . . 0.0 110.373 176.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.444 HD13 ' CB ' ' B' ' 39' ' ' HIS . 0.4 OUTLIER -73.62 -31.81 63.73 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.888 -1.051 . . . . 0.0 110.494 -177.894 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' TYR . . . . . 0.408 ' O ' ' HB3' ' B' ' 25' ' ' LYS . 71.3 t80 -68.94 -52.02 33.56 Favored 'General case' 0 C--O 1.222 -0.345 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.97 -179.729 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.735 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 49.1 mt -65.02 -22.42 66.99 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.84 -176.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.85 -37.26 62.26 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.772 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 -119.69 15.09 12.71 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -174.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.408 ' HB3' ' O ' ' B' ' 21' ' ' TYR . 14.9 ptmm? -72.47 -22.98 60.99 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.001 0.429 . . . . 0.0 111.426 -175.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -95.18 4.68 53.33 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.268 -175.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 37.8 t -90.48 108.01 19.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 178.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -89.22 135.53 33.52 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.594 -177.021 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.95 19.65 39.17 Favored Glycine 0 N--CA 1.447 -0.586 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -176.453 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -132.54 145.31 51.04 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.279 -0.46 . . . . 0.0 110.429 -177.661 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -77.59 95.27 4.52 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 173.001 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . 0.476 ' O ' HG13 ' B' ' 36' ' ' ILE . 4.3 p -63.44 -27.92 43.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 178.256 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . 0.768 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 1.7 t -62.73 -60.61 2.48 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.126 178.273 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.45 ' HA ' HD11 ' B' ' 37' ' ' LEU . 7.1 tp10 -61.0 -33.68 73.63 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.513 -177.235 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.46 -47.16 69.99 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.41 0.624 . . . . 0.0 109.599 175.316 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.476 HG13 ' O ' ' B' ' 32' ' ' VAL . 51.3 mt -74.14 -57.74 6.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.821 179.358 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.768 ' HG ' ' O ' ' B' ' 33' ' ' VAL . 13.1 mt -46.62 -45.14 18.86 Favored 'General case' 0 N--CA 1.474 0.775 0 O-C-N 123.825 0.703 . . . . 0.0 111.494 -175.248 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.85 -25.89 21.93 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.214 -0.903 . . . . 0.0 113.405 -169.246 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' HIS . . . . . 0.444 ' CB ' HD13 ' B' ' 20' ' ' LEU . 24.2 m-70 -85.98 -26.19 25.6 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.512 0.56 . . . . 0.0 112.512 -174.519 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' B' ' 36' ' ' ILE . 0.6 OUTLIER -97.81 83.28 3.15 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.917 0.865 . . . . 0.0 111.459 176.91 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 52.8 m-80 -83.41 39.7 0.68 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.64 0.733 . . . . 0.0 110.065 178.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' THR . . . . . 0.424 ' H ' ' C ' ' B' ' 40' ' ' LEU . 3.0 t -99.41 -10.98 21.56 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 114.73 -1.123 . . . . 0.0 109.198 175.798 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . 0.499 HG22 ' CZ2' ' B' ' 9' ' ' TRP . 2.0 m -140.37 103.14 6.6 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 115.136 -0.938 . . . . 0.0 111.508 -177.633 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -77.53 95.46 1.07 Allowed 'Trans proline' 0 CA--C 1.532 0.375 0 C-N-CA 122.072 1.848 . . . . 0.0 111.42 172.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . 0.47 ' CD ' ' HB ' ' B' ' 43' ' ' VAL . 6.0 ptm180 -153.05 168.86 24.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.075 0.464 . . . . 0.0 111.72 -176.622 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 11.6 t -65.88 160.81 22.53 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.747 -177.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 -72.81 -27.3 61.88 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.904 -171.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 30.3 ttpt -55.89 -37.14 68.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.141 -0.936 . . . . 0.0 111.47 176.436 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 69.9 mm-40 -58.89 -53.03 63.02 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.517 -175.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . 0.491 ' HB ' ' CD2' ' B' ' 37' ' ' LEU . 3.0 mp -57.73 -49.07 82.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.849 -178.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . 0.504 HG21 ' CG ' ' B' ' 66' ' ' PHE . 77.3 mt -56.02 -47.35 80.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 121.462 0.649 . . . . 0.0 110.584 178.366 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' HIS . . . . . 0.523 ' O ' ' HB2' ' B' ' 56' ' ' GLN . 0.1 OUTLIER -54.49 -50.26 68.21 Favored 'General case' 0 C--O 1.22 -0.499 0 CA-C-N 114.906 -1.043 . . . . 0.0 111.644 -178.521 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -73.23 -22.07 60.5 Favored 'General case' 0 C--N 1.314 -0.965 0 C-N-CA 120.961 -0.296 . . . . 0.0 111.542 -170.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . 0.427 ' O ' ' HG ' ' B' ' 59' ' ' LEU . 79.7 mt -69.42 -50.47 45.51 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.806 0.336 . . . . 0.0 110.449 173.336 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 32.7 m -76.39 -31.16 20.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 C-N-CA 120.843 -0.343 . . . . 0.0 111.335 -178.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' GLN . . . . . 0.523 ' HB2' ' O ' ' B' ' 52' ' ' HIS . 0.0 OUTLIER -61.4 -29.77 70.14 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-O 121.021 0.438 . . . . 0.0 110.635 174.185 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 19.4 ttm -85.84 -0.64 55.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.957 -176.375 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 68.61 17.79 71.28 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 121.163 -0.541 . . . . 0.0 112.431 178.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' B' ' 54' ' ' LEU . 4.5 pp -99.09 -19.49 17.18 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.401 0.62 . . . . 0.0 109.889 178.495 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -115.99 168.27 10.23 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.172 -0.922 . . . . 0.0 109.791 175.203 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -81.35 -68.32 0.7 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.952 0.406 . . . . 0.0 111.764 -175.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 19.6 m -154.15 165.69 35.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.65 -173.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 49.3 t -68.82 -24.93 29.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.327 177.268 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 46.4 mtpt -61.22 -34.39 75.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.428 -0.806 . . . . 0.0 111.215 -179.374 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -66.3 -31.48 72.31 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.055 -179.247 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 66' ' ' PHE . . . . . 0.504 ' CG ' HG21 ' B' ' 51' ' ' ILE . 19.9 m-85 . . . . . 0 C--N 1.325 -0.495 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.464 -176.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 26.9 m . . . . . 0 N--CA 1.442 -0.863 0 N-CA-C 109.994 -0.372 . . . . 0.0 109.994 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -50.14 89.8 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.464 0.65 . . . . 0.0 111.862 179.741 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 76' ' ' TRP . . . . . 0.455 ' CH2' HD22 ' B' ' 84' ' ' LEU . 17.6 m95 -81.85 109.24 16.04 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 121.412 0.625 . . . . 0.0 110.018 -179.754 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 77' ' ' THR . . . . . 0.516 ' O ' ' HG3' ' B' ' 81' ' ' GLU . 70.9 p -114.35 163.25 15.55 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.374 179.745 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -54.83 -36.01 59.22 Favored Glycine 0 N--CA 1.453 -0.195 0 C-N-CA 120.512 -0.851 . . . . 0.0 111.924 177.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -72.26 -40.78 67.4 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.532 0.206 . . . . 0.0 110.749 178.531 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 80' ' ' GLN . . . . . 0.417 ' HG2' ' CZ3' ' B' ' 76' ' ' TRP . 25.5 tt0 -68.3 -36.52 79.47 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 121.052 -0.259 . . . . 0.0 110.796 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 81' ' ' GLU . . . . . 0.516 ' HG3' ' O ' ' B' ' 77' ' ' THR . 52.7 mt-10 -64.33 -35.14 79.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.957 0.408 . . . . 0.0 110.019 177.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 51.7 tp -68.43 -42.23 79.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.626 175.167 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -63.13 -27.56 69.46 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.667 177.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . 0.455 HD22 ' CH2' ' B' ' 76' ' ' TRP . 67.0 tp -72.37 -50.73 24.48 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 171.842 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -48.07 -61.36 2.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.936 179.101 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 72.8 mtt180 -56.86 -52.75 63.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.983 -174.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 7.3 mp -66.77 -32.82 74.35 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 111.871 0.323 . . . . 0.0 111.871 -176.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.496 ' CE1' ' HB3' ' B' ' 123' ' ' LEU . 13.8 t80 -55.34 -50.41 69.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.576 -0.283 . . . . 0.0 110.753 178.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -72.72 -38.02 67.6 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.841 0.353 . . . . 0.0 110.796 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -60.55 -28.33 68.35 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.547 -176.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -121.21 12.7 11.06 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.479 -179.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 92' ' ' ARG . . . . . 0.411 ' HB2' ' O ' ' B' ' 88' ' ' PHE . 53.9 ttt180 -66.64 -30.12 70.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.979 0.419 . . . . 0.0 111.094 -178.019 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -92.09 17.79 8.98 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.221 0.534 . . . . 0.0 111.013 -176.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 83.3 p -103.75 -178.87 3.79 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 176.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -66.48 -49.03 67.98 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.976 0.417 . . . . 0.0 110.884 -174.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -135.41 107.03 6.93 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.192 0.52 . . . . 0.0 109.825 177.192 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 97' ' ' VAL . . . . . 0.508 ' O ' HG13 ' B' ' 101' ' ' ILE . 2.9 p -65.32 -38.79 83.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.465 -0.789 . . . . 0.0 112.163 -175.055 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . 0.517 ' HB2' HH21 ' B' ' 111' ' ' ARG . 8.1 mt -69.82 -36.28 75.5 Favored 'General case' 0 N--CA 1.463 0.209 0 C-N-CA 120.501 -0.479 . . . . 0.0 111.26 -174.604 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 99' ' ' GLY . . . . . 0.696 ' O ' ' HD3' ' B' ' 103' ' ' LYS . . . -59.84 -44.46 97.04 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.625 -0.798 . . . . 0.0 111.416 175.753 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -68.77 -29.08 67.39 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 179.065 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 101' ' ' ILE . . . . . 0.602 ' O ' HG21 ' B' ' 105' ' ' ILE . 32.3 mt -60.41 -58.72 6.09 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.113 173.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 102' ' ' MET . . . . . 0.627 ' HE1' ' O ' ' B' ' 109' ' ' ARG . 61.3 mtt -57.69 -37.59 73.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.666 0.269 . . . . 0.0 111.535 -176.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 103' ' ' LYS . . . . . 0.696 ' HD3' ' O ' ' B' ' 99' ' ' GLY . 4.6 mptp? -69.51 -34.01 73.66 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.491 -177.812 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -99.11 -25.88 14.39 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 -174.14 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 105' ' ' ILE . . . . . 0.602 HG21 ' O ' ' B' ' 101' ' ' ILE . 11.0 tp -91.5 149.86 3.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.579 0.704 . . . . 0.0 111.246 -177.113 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 8.1 t -69.72 -37.57 76.58 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-N 114.719 -1.128 . . . . 0.0 111.468 -177.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 107' ' ' ALA . . . . . 0.419 ' O ' HG23 ' B' ' 105' ' ' ILE . . . -84.86 128.62 34.7 Favored 'General case' 0 CA--C 1.513 -0.476 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -81.3 102.1 10.19 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 108.166 -1.049 . . . . 0.0 108.166 176.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 109' ' ' ARG . . . . . 0.627 ' O ' ' HE1' ' B' ' 102' ' ' MET . 47.8 mtt180 -107.26 118.59 37.1 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.394 -176.393 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 110' ' ' SER . . . . . 0.667 ' H ' ' NH1' ' B' ' 113' ' ' ARG . 27.1 t -64.45 158.31 24.2 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.037 178.638 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 111' ' ' ARG . . . . . 0.517 HH21 ' HB2' ' B' ' 98' ' ' LEU . 39.8 mtp180 -71.84 -35.44 69.88 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.132 -0.486 . . . . 0.0 112.203 -166.104 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 112' ' ' ALA . . . . . 0.437 ' O ' ' HB2' ' B' ' 116' ' ' ASP . . . -62.64 -29.57 70.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.966 0.412 . . . . 0.0 110.432 176.521 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 113' ' ' ARG . . . . . 0.667 ' NH1' ' H ' ' B' ' 110' ' ' SER . 55.4 mtt180 -71.06 -41.53 70.61 Favored 'General case' 0 CA--C 1.515 -0.383 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 179.204 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 114' ' ' ILE . . . . . 0.506 HG23 HD23 ' B' ' 98' ' ' LEU . 71.8 mt -70.66 -58.16 6.03 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.687 0 CA-C-N 114.652 -1.158 . . . . 0.0 111.833 -176.641 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 115' ' ' VAL . . . . . 0.59 ' O ' HD23 ' B' ' 119' ' ' LEU . 16.8 m -62.36 -34.04 62.26 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.642 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.64 -170.432 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 116' ' ' ASP . . . . . 0.437 ' HB2' ' O ' ' B' ' 112' ' ' ALA . 0.1 OUTLIER -73.62 -32.7 64.2 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.509 178.25 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . 0.469 ' O ' HD13 ' B' ' 121' ' ' LEU . 11.7 tptm -79.29 -26.52 42.27 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 120.23 -0.588 . . . . 0.0 110.502 -177.022 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 10.2 mt -60.82 -49.09 78.89 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-O 120.913 0.387 . . . . 0.0 110.74 174.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 119' ' ' LEU . . . . . 0.59 HD23 ' O ' ' B' ' 115' ' ' VAL . 4.6 mm? -59.51 -31.57 69.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.501 178.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -73.01 -46.13 53.81 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.968 -178.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 121' ' ' LEU . . . . . 0.469 HD13 ' O ' ' B' ' 117' ' ' LYS . 10.8 mp -66.04 -24.71 66.79 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.119 176.096 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 80.74 31.31 36.55 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.662 -0.78 . . . . 0.0 111.321 -174.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . 0.496 ' HB3' ' CE1' ' B' ' 88' ' ' PHE . 51.3 mt -80.39 -24.02 40.0 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-O 121.766 0.793 . . . . 0.0 109.364 179.129 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 19.6 m -139.55 172.78 12.32 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-N 114.551 -1.204 . . . . 0.0 110.014 176.003 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -112.77 -17.94 12.42 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.312 178.004 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -149.27 168.25 23.84 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.642 178.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 127' ' ' ARG . . . . . 0.757 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 94.6 mtt180 -78.08 -20.93 51.31 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 121.103 -0.239 . . . . 0.0 111.25 178.543 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 128' ' ' ARG . . . . . . . . . . . . . 5.6 ttm180 -55.37 -39.52 70.19 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.813 0.339 . . . . 0.0 111.718 -178.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -62.07 -27.8 69.16 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.813 -175.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 130' ' ' LEU . . . . . 0.757 ' HG ' ' O ' ' B' ' 127' ' ' ARG . 0.1 OUTLIER -92.83 4.53 53.67 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.277 0.561 . . . . 0.0 110.959 -177.233 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 131' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 . . . . . 0 C--N 1.319 -0.747 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 171.059 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 25.6 m95 . . . . . 0 C--O 1.234 0.237 0 CA-C-O 121.142 0.496 . . . . 0.0 111.945 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 18.8 m -75.05 150.14 85.52 Favored Pre-proline 0 N--CA 1.446 -0.664 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 171.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_exo -50.72 -40.4 56.28 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.631 2.221 . . . . 0.0 112.65 -178.079 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -59.02 -39.99 83.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.294 179.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -71.71 -37.67 70.63 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.303 -176.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -74.86 -27.06 60.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.934 0.397 . . . . 0.0 110.516 177.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . 0.514 ' O ' ' HB2' ' B' ' 19' ' ' GLU . . . -68.5 -22.2 64.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.215 0.531 . . . . 0.0 109.691 172.807 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.489 ' HA ' ' CB ' ' B' ' 19' ' ' GLU . 17.8 t-160 -90.77 -28.28 18.35 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.355 176.134 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.409 ' CD2' ' HB2' ' B' ' 53' ' ' HIS . 32.2 tp -65.52 -46.28 80.23 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.489 174.433 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . 0.738 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 30.4 ptt180 -71.59 -30.94 66.39 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 175.593 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . 0.514 ' HB2' ' O ' ' B' ' 15' ' ' ALA . 10.2 tp10 -53.52 -50.51 65.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.236 -179.174 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.43 -26.17 59.9 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.923 -1.035 . . . . 0.0 110.899 -178.159 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' TYR . . . . . 0.417 ' HA ' HD13 ' B' ' 36' ' ' ILE . 82.9 t80 -71.81 -51.96 19.92 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-O 121.107 0.48 . . . . 0.0 110.038 178.314 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.738 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 27.6 mt -62.86 -18.93 63.62 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.972 -178.224 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.79 -38.54 32.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.093 178.304 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 49.4 m-80 -114.73 12.84 17.18 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -174.056 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.41 ' HD2' ' HA ' ' B' ' 22' ' ' LEU . 22.1 ptmt -68.73 -26.5 65.29 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -174.562 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -106.83 12.12 29.31 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.116 0.484 . . . . 0.0 110.66 -175.31 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 60.9 t -93.55 107.87 19.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.23 179.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -86.68 148.04 25.63 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.165 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 92.45 -3.93 76.05 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.703 -0.76 . . . . 0.0 111.516 -177.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . 0.433 ' HG2' ' N ' ' B' ' 31' ' ' ASP . 13.7 tt0 -130.77 147.82 52.47 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.875 0.369 . . . . 0.0 110.314 179.809 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . 0.433 ' N ' ' HG2' ' B' ' 30' ' ' GLN . 6.3 m-20 -76.29 109.29 9.86 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.655 170.701 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . 0.422 ' O ' HG13 ' B' ' 36' ' ' ILE . 7.8 p -58.94 -35.45 56.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 170.348 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . 0.673 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 3.8 t -53.51 -59.97 1.57 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.542 0 CA-C-N 114.191 -1.368 . . . . 0.0 110.524 178.334 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.521 ' HA ' ' CD1' ' B' ' 37' ' ' LEU . 38.9 tt0 -67.99 -34.66 76.97 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.795 -175.806 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.33 -42.16 73.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.664 0.745 . . . . 0.0 109.92 177.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.422 HG13 ' O ' ' B' ' 32' ' ' VAL . 76.9 mt -72.98 -61.99 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 114.878 -1.055 . . . . 0.0 111.252 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.673 ' HG ' ' O ' ' B' ' 33' ' ' VAL . 3.3 pp -63.36 -18.99 64.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.605 -0.725 . . . . 0.0 112.678 -172.128 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -81.72 -50.38 9.35 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.712 0.291 . . . . 0.0 111.521 179.002 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 49.5 m-70 -75.47 -29.35 59.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.824 0.345 . . . . 0.0 110.894 -173.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 1.4 mt -88.03 79.29 8.02 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.343 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -111.0 36.83 3.01 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 122.096 0.95 . . . . 0.0 109.025 172.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -82.31 -30.43 30.49 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 113.883 -1.508 . . . . 0.0 109.019 172.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -111.34 117.93 48.46 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 114.781 -1.1 . . . . 0.0 108.886 173.662 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -79.93 103.7 1.59 Allowed 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 122.161 1.907 . . . . 0.0 111.551 177.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . 0.459 HH11 ' HB2' ' B' ' 45' ' ' ARG . 0.0 OUTLIER -152.05 178.04 9.86 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.473 -175.908 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 11.5 t -78.34 162.41 26.5 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 173.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . 0.444 ' CG ' HD21 ' B' ' 37' ' ' LEU . 0.6 OUTLIER -66.93 -29.88 69.87 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.869 0.366 . . . . 0.0 110.654 -178.191 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -49.05 -31.45 7.78 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.982 176.14 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.45 ' HG3' ' CB ' ' B' ' 45' ' ' ARG . 46.8 mm-40 -59.33 -52.85 63.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.557 178.344 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 2.8 mp -53.69 -52.83 30.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.905 -177.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 3.6 mp -63.04 -43.21 98.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.215 -175.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -61.33 -46.59 89.62 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.879 -177.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' HIS . . . . . 0.409 ' HB2' ' CD2' ' B' ' 17' ' ' LEU . 76.2 m-70 -65.58 -36.89 85.07 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.611 -0.436 . . . . 0.0 111.606 -177.47 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . 0.437 ' CD2' HD13 ' B' ' 59' ' ' LEU . 80.3 mt -64.33 -45.94 85.65 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.084 0.468 . . . . 0.0 110.939 -176.452 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . 0.448 HG12 ' C ' ' B' ' 62' ' ' SER . 12.3 m -78.52 -23.62 13.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.308 0.575 . . . . 0.0 110.429 -178.761 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -78.36 -24.7 46.3 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.54 -0.754 . . . . 0.0 111.286 178.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 70.9 mtm -84.43 -2.09 56.64 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.955 0.407 . . . . 0.0 110.733 176.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 75.18 3.13 68.71 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 121.061 -0.59 . . . . 0.0 112.843 176.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . 0.437 HD13 ' CD2' ' B' ' 54' ' ' LEU . 4.2 pp -85.94 -19.11 30.96 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.429 0.633 . . . . 0.0 110.008 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -116.3 170.4 8.56 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.518 173.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -83.25 -68.17 0.73 Allowed 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.726 -0.39 . . . . 0.0 111.695 -177.158 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 62' ' ' SER . . . . . 0.448 ' C ' HG12 ' B' ' 55' ' ' VAL . 31.7 m -158.0 165.63 34.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.718 -173.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 69.1 t -61.99 -27.02 41.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.049 175.24 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 46.9 mtmt -57.94 -31.71 67.11 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.88 -1.054 . . . . 0.0 112.002 -178.354 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -82.49 -26.32 32.68 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.11 0.481 . . . . 0.0 110.864 -177.069 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 . . . . . 0 C--N 1.327 -0.401 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.943 -176.352 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.439 -1.024 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 46.7 tp -52.36 89.94 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 -168.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 76' ' ' TRP . . . . . 0.538 ' CH2' HD22 ' B' ' 84' ' ' LEU . 96.3 m95 -89.66 109.1 20.1 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.977 0.418 . . . . 0.0 110.629 178.582 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 77' ' ' THR . . . . . 0.423 ' O ' ' HG3' ' B' ' 81' ' ' GLU . 42.8 p -111.43 167.34 10.39 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 108.72 -0.845 . . . . 0.0 108.72 173.364 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -53.95 -32.73 49.38 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.551 -0.833 . . . . 0.0 111.566 176.215 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -65.75 -55.31 17.96 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.47 -0.365 . . . . 0.0 110.616 176.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -66.39 -35.42 80.27 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.421 -177.133 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 81' ' ' GLU . . . . . 0.423 ' HG3' ' O ' ' B' ' 77' ' ' THR . 55.1 mt-10 -61.63 -39.63 91.98 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 176.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . 0.48 ' O ' ' HG3' ' B' ' 86' ' ' ARG . 30.7 tp -66.88 -43.52 83.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.499 176.569 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . 0.445 ' CD ' HH21 ' B' ' 86' ' ' ARG . 8.4 mm-40 -59.93 -41.58 92.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.717 179.529 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . 0.538 HD22 ' CH2' ' B' ' 76' ' ' TRP . 60.8 tp -63.05 -48.03 80.42 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 174.437 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . 0.434 ' O ' ' HG3' ' B' ' 89' ' ' GLU . 1.0 OUTLIER -54.07 -53.19 56.61 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.862 -179.102 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 86' ' ' ARG . . . . . 0.48 ' HG3' ' O ' ' B' ' 82' ' ' LEU . 40.2 mtm180 -61.05 -50.23 74.17 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.962 0.411 . . . . 0.0 111.451 -179.004 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 7.7 tp -66.81 -39.44 87.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.04 -173.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.623 ' CE2' ' HB3' ' B' ' 123' ' ' LEU . 1.0 OUTLIER -56.55 -41.45 76.85 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.726 179.518 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . 0.434 ' HG3' ' O ' ' B' ' 85' ' ' GLN . 33.1 mt-10 -69.24 -41.16 77.36 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.079 0.466 . . . . 0.0 110.388 178.446 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -65.83 -33.74 76.54 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.357 -0.838 . . . . 0.0 112.062 -172.011 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -112.75 17.06 19.37 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.952 -0.299 . . . . 0.0 111.059 -179.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 92' ' ' ARG . . . . . 0.599 ' HB2' ' O ' ' B' ' 88' ' ' PHE . 18.9 ttt180 -73.78 -16.34 61.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.697 0.76 . . . . 0.0 109.664 177.192 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -71.66 -1.41 13.64 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.794 -1.093 . . . . 0.0 110.59 174.008 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 19.2 m -103.85 157.35 17.14 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.03 178.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -79.01 -5.87 54.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.422 -177.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -147.98 79.42 1.46 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.089 0.471 . . . . 0.0 109.743 173.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 97' ' ' VAL . . . . . 0.554 ' O ' HG13 ' B' ' 101' ' ' ILE . 2.6 p -64.12 -34.66 70.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.387 -175.473 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 7.3 mp -63.24 -33.25 75.09 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 121.052 -0.259 . . . . 0.0 111.362 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -69.0 -31.0 72.09 Favored Glycine 0 CA--C 1.509 -0.291 0 C-N-CA 120.707 -0.759 . . . . 0.0 111.571 176.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 35.2 m-70 -79.3 -30.17 42.79 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 177.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 101' ' ' ILE . . . . . 0.554 HG13 ' O ' ' B' ' 97' ' ' VAL . 71.8 mt -62.03 -61.19 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.393 174.565 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 102' ' ' MET . . . . . 0.568 ' HE1' ' O ' ' B' ' 109' ' ' ARG . 58.4 mtt -52.35 -43.54 64.69 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -175.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -74.71 -25.21 58.98 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.353 -0.385 . . . . 0.0 112.01 -176.243 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -104.02 -20.17 13.95 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -174.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 105' ' ' ILE . . . . . 0.451 HG13 ' N ' ' B' ' 106' ' ' THR . 11.2 tp -91.24 158.58 2.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.45 0.643 . . . . 0.0 111.381 -175.778 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 106' ' ' THR . . . . . 0.451 ' N ' HG13 ' B' ' 105' ' ' ILE . 7.4 t -77.87 -16.46 58.25 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.839 -175.197 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -111.73 128.73 56.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.643 0.259 . . . . 0.0 111.31 -177.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.31 102.46 14.01 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 176.013 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 109' ' ' ARG . . . . . 0.568 ' O ' ' HE1' ' B' ' 102' ' ' MET . 35.8 mtt180 -108.87 179.44 4.18 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.077 -176.108 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 4.3 m -99.32 152.2 20.2 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.266 179.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 10.1 mmt180 -58.48 -50.72 72.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.016 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -60.73 -30.5 70.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.187 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 113' ' ' ARG . . . . . 0.523 ' NE ' ' HA ' ' B' ' 113' ' ' ARG . 0.0 OUTLIER -74.25 -33.06 63.19 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.439 -178.862 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 78.4 mt -78.96 -44.35 24.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.232 179.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 115' ' ' VAL . . . . . . . . . . . . . 49.5 t -55.94 -54.02 31.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.889 176.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -58.04 -36.95 73.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.64 -178.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . 0.401 ' HE3' HD13 ' B' ' 121' ' ' LEU . 40.8 tptt -68.28 -39.71 82.03 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.045 -176.593 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 20.5 mt -60.81 -50.23 74.29 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 120.94 0.4 . . . . 0.0 110.349 177.318 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -58.54 -35.4 72.25 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.8 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -74.25 -42.37 59.78 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.245 -177.063 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 121' ' ' LEU . . . . . 0.401 HD13 ' HE3' ' B' ' 117' ' ' LYS . 8.8 mp -70.98 -25.72 62.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.131 0.491 . . . . 0.0 111.093 176.553 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 82.68 33.4 24.84 Favored Glycine 0 N--CA 1.442 -0.911 0 C-N-CA 120.508 -0.853 . . . . 0.0 111.088 -173.199 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . 0.623 ' HB3' ' CE2' ' B' ' 88' ' ' PHE . 55.0 mt -80.03 -27.75 39.43 Favored 'General case' 0 CA--C 1.511 -0.544 0 N-CA-C 108.204 -1.035 . . . . 0.0 108.204 177.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 124' ' ' VAL . . . . . 0.436 HG23 ' CD2' ' B' ' 130' ' ' LEU . 35.8 m -136.57 165.5 28.48 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 113.43 -1.714 . . . . 0.0 108.372 172.213 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -105.99 -14.75 15.09 Favored 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 176.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 126' ' ' GLU . . . . . 0.44 ' O ' HD21 ' B' ' 130' ' ' LEU . 17.3 pt-20 -156.83 172.48 18.57 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.904 -176.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 127' ' ' ARG . . . . . 0.795 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 93.3 mtt180 -80.07 -20.33 45.43 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -176.09 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 128' ' ' ARG . . . . . . . . . . . . . 29.8 mtt180 -47.7 -49.39 28.05 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 121.133 0.492 . . . . 0.0 110.971 179.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -68.83 -12.52 61.62 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.348 -0.842 . . . . 0.0 112.824 -170.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 130' ' ' LEU . . . . . 0.795 ' HG ' ' O ' ' B' ' 127' ' ' ARG . 0.0 OUTLIER -88.89 -6.47 57.29 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.456 -177.745 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 131' ' ' TYR . . . . . . . . . . . . . 4.6 p90 . . . . . 0 C--N 1.327 -0.409 0 CA-C-O 121.515 0.674 . . . . 0.0 110.607 174.386 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . 0.633 ' OD2' ' HB2' ' B' ' 4' ' ' ARG . 6.5 p-10 . . . . . 0 N--CA 1.484 1.229 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_exo -43.25 -69.74 0.08 OUTLIER 'Trans proline' 0 C--N 1.354 0.857 0 C-N-CA 124.155 3.237 . . . . 0.0 116.248 -163.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 23.0 p -138.64 43.68 2.11 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.478 0.656 . . . . 0.0 111.555 -171.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . 0.633 ' HB2' ' OD2' ' B' ' 1' ' ' ASP . 17.0 mtp85 -121.24 -163.41 1.04 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.345 -178.641 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . 0.436 ' HG2' ' O ' ' B' ' 5' ' ' ARG . 0.2 OUTLIER -68.49 63.48 0.1 Allowed 'General case' 0 CA--C 1.543 0.684 0 CA-C-O 122.184 0.992 . . . . 0.0 111.276 176.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . 0.559 ' HB2' ' O ' ' B' ' 44' ' ' PRO . . . -95.41 125.68 48.86 Favored Pre-proline 0 C--N 1.319 -0.747 0 O-C-N 121.716 -0.615 . . . . 0.0 111.711 -176.391 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -84.19 119.6 2.45 Favored 'Trans proline' 0 N--CA 1.444 -1.39 0 C-N-CA 122.139 1.893 . . . . 0.0 113.518 169.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 14.1 m -136.53 92.35 2.75 Favored 'General case' 0 C--N 1.306 -1.316 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 158.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 75.9 m95 -137.5 166.39 23.98 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.579 0.704 . . . . 0.0 111.307 -169.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' SER . . . . . 0.458 ' H ' ' HB3' ' B' ' 13' ' ' GLU . 51.8 p -146.45 167.07 14.76 Favored Pre-proline 0 C--N 1.312 -1.029 0 N-CA-C 107.515 -1.291 . . . . 0.0 107.515 174.517 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -53.31 -32.77 62.79 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 121.749 1.633 . . . . 0.0 110.903 174.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 59.9 tt0 -73.6 -44.79 56.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.849 -1.069 . . . . 0.0 110.973 177.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.458 ' HB3' ' H ' ' B' ' 10' ' ' SER . 7.5 tp10 -66.13 -39.44 89.88 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.62 0.248 . . . . 0.0 111.119 -177.33 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -76.72 -21.91 54.61 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.443 -0.503 . . . . 0.0 110.443 178.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.43 -24.39 61.21 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.662 0.744 . . . . 0.0 109.366 169.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.521 ' O ' ' HB3' ' B' ' 19' ' ' GLU . 12.6 t-160 -82.88 -23.59 33.57 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.659 -1.155 . . . . 0.0 109.467 174.557 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.507 ' CD2' ' HB2' ' B' ' 53' ' ' HIS . 38.1 tp -73.69 -46.94 43.27 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 176.126 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . 0.804 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 9.4 ptm180 -67.1 -33.49 75.58 Favored 'General case' 0 N--CA 1.443 -0.785 0 N-CA-C 108.585 -0.895 . . . . 0.0 108.585 173.572 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . 0.521 ' HB3' ' O ' ' B' ' 16' ' ' HIS . 13.1 tp10 -49.87 -56.68 9.55 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.261 0.553 . . . . 0.0 110.481 177.268 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.96 -33.93 76.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.599 -179.221 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -68.23 -49.23 62.11 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 -178.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.804 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 29.3 mt -63.9 -31.41 72.58 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.722 -179.328 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.64 -34.81 53.11 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.766 -178.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 22.7 m-80 -107.67 8.16 28.89 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -174.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 14.9 ptmm? -86.26 -13.2 47.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.38 0.609 . . . . 0.0 109.642 171.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -73.34 -32.87 64.81 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.657 -176.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 4.9 p -75.48 140.58 17.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.65 -0.704 . . . . 0.0 109.451 175.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -106.73 139.36 41.28 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.979 0.419 . . . . 0.0 111.622 -171.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.86 21.36 79.34 Favored Glycine 0 N--CA 1.451 -0.326 0 CA-C-N 115.78 -0.645 . . . . 0.0 112.903 176.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . 0.492 ' HG2' ' N ' ' B' ' 31' ' ' ASP . 0.0 OUTLIER -110.16 163.2 13.84 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 120.536 0.207 . . . . 0.0 110.496 -179.08 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . 0.492 ' N ' ' HG2' ' B' ' 30' ' ' GLN . 9.6 m-20 -80.36 94.96 6.24 Favored 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 173.739 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . 0.441 ' O ' HG13 ' B' ' 36' ' ' ILE . 9.9 p -68.28 -30.73 48.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.406 -176.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 1.1 t -62.81 -53.6 44.72 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.294 -178.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -63.36 -34.67 78.23 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.52 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . 0.556 ' O ' ' HD2' ' B' ' 39' ' ' HIS . . . -55.7 -49.61 72.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.642 0.734 . . . . 0.0 109.564 176.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.441 HG13 ' O ' ' B' ' 32' ' ' VAL . 40.5 mt -67.15 -63.05 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.919 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.992 177.057 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.576 ' CD2' HD12 ' B' ' 50' ' ' ILE . 11.1 mt -41.4 -44.62 2.87 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.002 0.921 . . . . 0.0 113.097 -177.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -86.89 -22.9 25.43 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 -169.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' HIS . . . . . 0.556 ' HD2' ' O ' ' B' ' 35' ' ' ALA . 75.8 m-70 -91.72 -30.05 16.49 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 119.673 -0.811 . . . . 0.0 112.997 -174.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.655 ' HG ' ' O ' ' B' ' 40' ' ' LEU . 2.1 pt? -95.57 81.85 3.58 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 118.834 -1.147 . . . . 0.0 110.521 177.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -84.13 38.83 0.68 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.707 0.765 . . . . 0.0 109.951 -178.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' THR . . . . . 0.4 ' H ' ' C ' ' B' ' 40' ' ' LEU . 7.3 t -91.73 -28.54 17.35 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.814 -1.085 . . . . 0.0 110.274 -177.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 4.4 p -136.18 128.61 17.54 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.656 -175.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . 0.559 ' O ' ' HB2' ' B' ' 6' ' ' ALA . 71.6 Cg_endo -78.24 97.75 1.16 Allowed 'Trans proline' 0 N--CA 1.46 -0.465 0 C-N-CA 122.763 2.309 . . . . 0.0 111.815 176.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.486 ' HB3' ' O ' ' B' ' 6' ' ' ALA . 0.0 OUTLIER -145.76 145.88 31.0 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.079 -177.502 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 11.0 t -69.55 174.38 5.04 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 115.665 -0.698 . . . . 0.0 112.544 -173.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -56.76 -38.83 73.0 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.156 -0.929 . . . . 0.0 111.024 179.364 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.481 ' O ' ' HB2' ' B' ' 52' ' ' HIS . 8.2 tttt -60.45 -25.64 66.15 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.559 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -75.32 -38.28 60.34 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.219 0.452 . . . . 0.0 112.219 -172.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . 0.576 HD12 ' CD2' ' B' ' 37' ' ' LEU . 1.5 mp -63.8 -49.21 82.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 174.659 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . 0.55 HG12 ' CD2' ' B' ' 66' ' ' PHE . 59.4 mt -58.81 -48.2 86.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.217 0.532 . . . . 0.0 110.219 179.227 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' HIS . . . . . 0.481 ' HB2' ' O ' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -52.49 -61.24 2.4 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.936 -1.029 . . . . 0.0 112.134 -176.795 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' HIS . . . . . 0.507 ' HB2' ' CD2' ' B' ' 17' ' ' LEU . 9.8 m-70 -69.08 -24.64 64.17 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.709 0.29 . . . . 0.0 111.602 -171.131 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . 0.542 ' O ' HD22 ' B' ' 59' ' ' LEU . 78.5 mt -76.99 -47.0 21.97 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.778 0.323 . . . . 0.0 111.187 -177.359 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 23.9 m -74.89 -20.75 16.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 C-N-CA 120.236 -0.586 . . . . 0.0 110.019 177.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -79.27 -30.13 42.9 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.752 176.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.503 ' HB2' ' CD2' ' B' ' 59' ' ' LEU . 72.3 mtm -83.53 2.35 37.45 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.652 177.58 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 68.75 21.45 74.93 Favored Glycine 0 N--CA 1.45 -0.425 0 CA-C-N 115.888 -0.596 . . . . 0.0 113.321 173.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . 0.542 HD22 ' O ' ' B' ' 54' ' ' LEU . 1.9 pt? -106.11 -8.5 17.42 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 176.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -118.47 165.75 13.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.383 173.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -83.46 -67.38 0.79 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.989 0.423 . . . . 0.0 112.034 -175.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 47.5 m -157.82 166.52 32.48 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.001 -172.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 55.7 t -61.53 -34.91 63.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.669 0.747 . . . . 0.0 110.19 174.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . 0.465 ' HG2' ' H ' ' B' ' 71' ' ' THR . 5.8 mtmp? -54.86 -49.17 71.79 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.69 -1.141 . . . . 0.0 111.252 -179.389 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -64.71 -19.72 65.92 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.971 -1.013 . . . . 0.0 111.682 -172.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' PHE . . . . . 0.55 ' CD2' HG12 ' B' ' 51' ' ' ILE . 3.2 m-85 -79.49 -52.63 7.79 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 -168.709 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -164.24 0.14 0.03 OUTLIER 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 115.218 1.562 . . . . 0.0 115.218 -171.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -131.87 173.37 11.24 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 119.23 -0.988 . . . . 0.0 112.622 -170.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -61.49 131.82 51.4 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 114.879 -1.055 . . . . 0.0 110.118 177.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -51.54 115.3 3.68 Favored Glycine 0 N--CA 1.451 -0.363 0 CA-C-N 115.44 -0.8 . . . . 0.0 113.863 -176.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' THR . . . . . 0.527 ' C ' ' H ' ' B' ' 73' ' ' ILE . 9.6 p -120.0 108.93 14.9 Favored 'General case' 0 N--CA 1.446 -0.65 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 172.107 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 3.2 p80 -66.1 0.44 1.95 Allowed 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 122.418 0.287 . . . . 0.0 111.144 -178.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . 0.527 ' H ' ' C ' ' B' ' 71' ' ' THR . 1.4 mm -11.56 115.62 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 N-CA-C 115.911 1.819 . . . . 0.0 115.911 -158.038 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . 0.548 HG22 HE22 ' B' ' 80' ' ' GLN . 0.5 OUTLIER -54.13 126.39 10.67 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.737 0 CA-C-N 112.885 -1.961 . . . . 0.0 108.834 166.807 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -48.01 97.97 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.143 0.902 . . . . 0.0 111.698 -176.009 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' TRP . . . . . 0.445 ' NE1' ' HG3' ' B' ' 117' ' ' LYS . 48.1 m95 -86.39 110.19 19.54 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.955 -175.412 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' THR . . . . . 0.409 ' O ' ' HG3' ' B' ' 81' ' ' GLU . 74.0 p -106.99 167.98 9.52 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.67 176.567 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -55.15 -44.52 83.81 Favored Glycine 0 N--CA 1.454 -0.158 0 C-N-CA 121.211 -0.519 . . . . 0.0 113.016 -177.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -66.42 -40.06 89.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.854 0.359 . . . . 0.0 110.908 179.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' GLN . . . . . 0.548 HE22 HG22 ' B' ' 74' ' ' VAL . 21.8 tt0 -68.27 -39.72 82.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.585 -177.212 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' GLU . . . . . 0.409 ' HG3' ' O ' ' B' ' 77' ' ' THR . 59.8 mt-10 -61.47 -34.06 74.82 Favored 'General case' 0 CA--C 1.518 -0.27 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 175.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 20.3 tp -66.2 -35.34 80.19 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.933 -178.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -54.37 -57.4 11.42 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 122.011 0.91 . . . . 0.0 108.683 176.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 25.5 tp -63.66 -44.33 94.11 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 114.026 -1.443 . . . . 0.0 110.871 -177.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . 0.42 HE21 ' N ' ' B' ' 86' ' ' ARG . 0.0 OUTLIER -57.97 -55.05 39.92 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.049 -177.78 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' ARG . . . . . 0.42 ' N ' HE21 ' B' ' 85' ' ' GLN . 95.3 mtt180 -66.22 -52.89 43.44 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 111.741 0.274 . . . . 0.0 111.741 -176.26 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 6.9 mp -58.33 -41.11 83.88 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 111.628 0.232 . . . . 0.0 111.628 -176.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.689 ' CE1' ' HB3' ' B' ' 123' ' ' LEU . 24.9 t80 -54.01 -49.05 69.75 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.665 178.706 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -80.28 -16.46 54.62 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 120.667 -0.413 . . . . 0.0 111.246 -175.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -87.02 -25.34 24.29 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.227 -178.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 91' ' ' PHE . . . . . 0.42 ' O ' ' HB ' ' B' ' 97' ' ' VAL . 86.3 m-85 -119.81 19.76 12.39 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.979 0.418 . . . . 0.0 110.451 177.485 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 92' ' ' ARG . . . . . 0.474 ' HB2' ' O ' ' B' ' 88' ' ' PHE . 53.6 ttt180 -69.7 -30.64 68.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.328 0.585 . . . . 0.0 109.826 -179.702 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -86.75 37.33 0.75 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.491 177.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 50.5 m -119.88 178.53 4.56 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.18 178.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -77.91 -16.62 58.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.577 -177.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -168.24 99.15 0.43 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 175.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 97' ' ' VAL . . . . . 0.531 ' O ' HG13 ' B' ' 101' ' ' ILE . 2.2 p -68.75 -36.88 76.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.556 -175.205 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 8.1 mp -65.73 -34.07 77.34 Favored 'General case' 0 CA--C 1.518 -0.285 0 C-N-CA 120.903 -0.319 . . . . 0.0 111.464 -179.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 99' ' ' GLY . . . . . 0.634 ' O ' ' HG2' ' B' ' 103' ' ' LYS . . . -54.87 -41.7 77.06 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.676 -0.773 . . . . 0.0 111.328 172.378 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -74.48 -36.52 63.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.677 0.275 . . . . 0.0 110.53 178.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' ILE . . . . . 0.836 ' O ' ' HB ' ' B' ' 105' ' ' ILE . 71.3 mt -56.03 -37.22 47.7 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.454 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.485 -178.614 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' MET . . . . . 0.503 ' HE2' ' O ' ' B' ' 109' ' ' ARG . 49.6 mtt -82.57 -33.41 28.1 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 179.521 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' LYS . . . . . 0.634 ' HG2' ' O ' ' B' ' 99' ' ' GLY . 73.4 mmtt -75.87 -37.14 59.19 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.807 0.337 . . . . 0.0 111.381 -175.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -102.98 18.88 20.6 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.165 -172.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 105' ' ' ILE . . . . . 0.836 ' HB ' ' O ' ' B' ' 101' ' ' ILE . 9.5 tp -104.56 166.92 2.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.925 0.869 . . . . 0.0 112.782 -171.06 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 106' ' ' THR . . . . . 0.538 ' N ' HG13 ' B' ' 105' ' ' ILE . 3.0 m -87.09 -44.52 11.48 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-N 114.068 -1.424 . . . . 0.0 110.925 170.481 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . 0.498 ' H ' HG13 ' B' ' 105' ' ' ILE . . . -99.74 129.1 45.83 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -175.078 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 7.9 mmpt? -82.66 103.12 11.94 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.03 177.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 109' ' ' ARG . . . . . 0.503 ' O ' ' HE2' ' B' ' 102' ' ' MET . 43.6 mtm-85 -115.86 177.69 4.58 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.996 -177.667 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 47.7 t -99.59 159.47 15.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.897 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 44.7 mmm-85 -60.87 -50.65 72.57 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.349 178.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -60.78 -33.97 73.77 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 121.351 0.596 . . . . 0.0 110.968 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . 0.539 ' HA ' ' CZ ' ' B' ' 113' ' ' ARG . 1.2 tpp180 -70.44 -36.73 74.13 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.713 -179.463 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 94.6 mt -75.63 -45.8 38.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.509 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 115' ' ' VAL . . . . . 0.535 ' O ' HD23 ' B' ' 119' ' ' LEU . 25.6 m -63.31 -37.55 79.78 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.132 0 CA-C-O 120.6 0.238 . . . . 0.0 111.321 -176.754 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -62.92 -40.75 98.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.332 0.587 . . . . 0.0 110.573 176.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . 0.502 ' O ' HD11 ' B' ' 121' ' ' LEU . 2.4 mmtm -72.98 -29.26 62.92 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.76 -177.29 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 16.5 mt -60.86 -49.16 78.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.065 0.459 . . . . 0.0 110.301 174.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 119' ' ' LEU . . . . . 0.535 HD23 ' O ' ' B' ' 115' ' ' VAL . 4.6 mm? -60.17 -35.49 75.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.684 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -70.3 -39.71 74.69 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.265 -178.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 121' ' ' LEU . . . . . 0.502 HD11 ' O ' ' B' ' 117' ' ' LYS . 10.6 mp -72.56 -25.52 61.39 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 121.072 0.463 . . . . 0.0 110.906 175.419 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 83.87 31.17 27.13 Favored Glycine 0 N--CA 1.443 -0.853 0 N-CA-C 111.285 -0.726 . . . . 0.0 111.285 -174.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . 0.689 ' HB3' ' CE1' ' B' ' 88' ' ' PHE . 69.3 mt -78.57 -27.55 45.74 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-O 121.513 0.673 . . . . 0.0 109.237 179.604 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 124' ' ' VAL . . . . . 0.438 HG21 ' CD2' ' B' ' 130' ' ' LEU . 20.1 m -140.69 176.51 4.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 114.723 -1.126 . . . . 0.0 110.042 175.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -113.82 -9.38 13.11 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.72 177.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -164.94 174.6 10.34 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.05 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 127' ' ' ARG . . . . . 0.706 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 0.6 OUTLIER -79.24 -22.31 44.97 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 -177.097 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 128' ' ' ARG . . . . . . . . . . . . . 3.7 ptp180 -71.29 -26.19 62.76 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.202 -0.599 . . . . 0.0 111.665 -174.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -66.07 -26.62 67.57 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 120.903 0.382 . . . . 0.0 110.971 -177.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 130' ' ' LEU . . . . . 0.706 ' HG ' ' O ' ' B' ' 127' ' ' ARG . 0.1 OUTLIER -94.51 1.6 55.7 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.725 -178.412 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 131' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -126.4 46.15 2.51 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.035 178.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 16.9 mmtp -111.45 -174.32 2.44 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.243 -177.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 84.1 mttt -91.37 172.21 8.68 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.791 178.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 134' ' ' ARG . . . . . 0.57 ' O ' ' HG2' ' B' ' 134' ' ' ARG . 0.0 OUTLIER -63.04 80.94 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 122.456 1.122 . . . . 0.0 111.499 177.201 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 29.7 pt20 -98.87 152.77 19.39 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.272 176.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 16.2 mmtp -132.59 70.88 1.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 122.042 0.925 . . . . 0.0 110.467 171.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt -138.67 152.93 48.48 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.148 -1.387 . . . . 0.0 107.763 176.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 97.1 mt -46.36 105.42 0.06 Allowed 'General case' 0 C--N 1.327 -0.393 0 O-C-N 123.508 0.505 . . . . 0.0 110.256 176.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . -80.64 81.04 6.99 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.313 0.578 . . . . 0.0 111.166 -174.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 19.1 m -131.25 88.92 2.65 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.774 174.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 141' ' ' SER . . . . . . . . . . . . . 19.6 t . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.463 -0.779 . . . . 0.0 109.741 179.392 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . 0.413 ' HB2' ' HB2' ' B' ' 4' ' ' ARG . 3.6 m-20 . . . . . 0 N--CA 1.482 1.149 0 N-CA-C 110.527 -0.175 . . . . 0.0 110.527 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -59.93 -55.2 1.76 Allowed 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.614 2.209 . . . . 0.0 112.952 -179.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 4.5 m -92.93 -32.06 14.7 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.835 0.35 . . . . 0.0 110.877 -178.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . 0.413 ' HB2' ' HB2' ' B' ' 1' ' ' ASP . 70.9 mtt180 -88.97 95.84 10.48 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.34 0.591 . . . . 0.0 110.368 -175.248 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . 0.454 ' O ' ' HA ' ' B' ' 45' ' ' ARG . 1.6 mmm180 -104.75 150.36 24.83 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.34 175.13 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -114.23 103.85 54.94 Favored Pre-proline 0 C--N 1.316 -0.887 0 C-N-CA 119.879 -0.728 . . . . 0.0 111.422 172.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_endo -103.31 173.98 0.18 Allowed 'Trans proline' 0 N--CA 1.442 -1.555 0 C-N-CA 123.151 2.567 . . . . 0.0 112.667 174.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 2.7 p -88.04 125.31 34.49 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 120.982 0.42 . . . . 0.0 110.075 173.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' TRP . . . . . 0.447 ' CZ2' ' HD3' ' B' ' 45' ' ' ARG . 14.9 m95 -74.63 147.2 41.78 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.317 -174.712 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 15.0 m -79.67 149.19 70.82 Favored Pre-proline 0 C--N 1.32 -0.714 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 170.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo -47.38 -44.8 24.09 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.979 2.453 . . . . 0.0 113.003 -177.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -68.01 -26.02 65.68 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.509 -178.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.411 ' CD ' HG22 ' B' ' 42' ' ' THR . 5.2 tp10 -79.25 -34.51 42.59 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.991 -0.284 . . . . 0.0 110.422 -176.622 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -75.37 -28.61 59.59 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.998 0.428 . . . . 0.0 110.513 175.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.84 -37.4 81.84 Favored 'General case' 0 C--O 1.221 -0.417 0 CA-C-O 121.375 0.607 . . . . 0.0 109.384 171.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.497 ' O ' ' HB3' ' B' ' 19' ' ' GLU . 18.3 t-160 -70.39 -27.31 64.21 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.056 -0.975 . . . . 0.0 110.173 175.486 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.435 HD23 ' HB2' ' B' ' 53' ' ' HIS . 46.9 tp -65.58 -48.91 70.74 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.799 177.258 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . 0.717 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 17.4 ptt180 -73.47 -29.96 62.86 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 175.478 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . 0.497 ' HB3' ' O ' ' B' ' 16' ' ' HIS . 16.4 tp10 -49.19 -49.61 41.91 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.672 0.749 . . . . 0.0 110.096 175.779 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.473 ' HB3' HG12 ' B' ' 36' ' ' ILE . 0.4 OUTLIER -70.47 -37.41 74.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.105 -0.952 . . . . 0.0 111.351 -179.652 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' TYR . . . . . 0.458 ' O ' ' HB3' ' B' ' 25' ' ' LYS . 86.0 t80 -69.54 -47.6 63.15 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-O 120.855 0.359 . . . . 0.0 110.596 -176.548 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.717 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 62.1 mt -60.3 -31.23 70.07 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.526 -178.095 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.5 -41.96 30.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.492 -178.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -107.18 19.32 20.54 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 112.378 0.511 . . . . 0.0 112.378 -171.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.458 ' HB3' ' O ' ' B' ' 21' ' ' TYR . 22.1 pttm -82.73 -13.38 56.43 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.857 0.36 . . . . 0.0 111.496 -177.051 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -103.03 14.43 31.93 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.149 0.499 . . . . 0.0 111.108 -172.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 37.6 t -110.93 108.44 25.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.139 179.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -91.17 155.46 18.59 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.397 178.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.75 7.32 86.06 Favored Glycine 0 N--CA 1.451 -0.336 0 N-CA-C 110.657 -0.977 . . . . 0.0 110.657 -174.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.21 152.89 47.53 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 114.683 -0.758 . . . . 0.0 109.589 -178.03 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -82.23 102.62 11.26 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 172.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . 0.465 ' O ' HG13 ' B' ' 36' ' ' ILE . 9.9 p -57.01 -35.38 47.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.227 0.537 . . . . 0.0 109.846 178.684 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . 0.745 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 0.9 OUTLIER -64.31 -50.24 77.37 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.615 0 CA-C-N 115.298 -0.865 . . . . 0.0 109.546 -179.356 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.541 ' HA ' ' CD1' ' B' ' 37' ' ' LEU . 6.3 tm-20 -65.81 -31.76 72.9 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 114.671 -1.15 . . . . 0.0 110.204 -174.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.51 -47.81 82.89 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.608 0.718 . . . . 0.0 109.96 173.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.506 ' O ' ' HG ' ' B' ' 40' ' ' LEU . 47.1 mt -67.08 -64.44 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.98 -179.148 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.745 ' HG ' ' O ' ' B' ' 33' ' ' VAL . 2.1 pp -66.34 -19.89 65.93 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 -167.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.53 -33.89 17.59 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 120.941 -0.304 . . . . 0.0 111.464 -179.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 -76.37 -29.85 57.33 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.024 -177.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' B' ' 36' ' ' ILE . 0.8 OUTLIER -107.11 80.58 1.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.663 0.744 . . . . 0.0 111.449 175.901 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 24.8 p-10 -88.9 38.15 0.87 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.977 0.894 . . . . 0.0 109.444 176.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' THR . . . . . 0.411 HG22 ' CD ' ' B' ' 13' ' ' GLU . 0.1 OUTLIER -80.09 -25.2 40.12 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.342 -1.299 . . . . 0.0 109.684 177.629 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -127.09 123.71 23.58 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 115.219 -0.901 . . . . 0.0 109.778 178.603 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -79.25 101.29 1.41 Allowed 'Trans proline' 0 C--O 1.226 -0.107 0 C-N-CA 122.802 2.334 . . . . 0.0 111.349 175.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.552 ' HB3' ' HG3' ' B' ' 49' ' ' GLN . 0.0 OUTLIER -137.27 176.05 9.05 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.572 0.701 . . . . 0.0 111.81 -174.124 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 6.5 t -84.3 170.32 13.78 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 114.76 -1.109 . . . . 0.0 109.236 170.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 24.9 mmt180 -72.41 -27.59 62.44 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 -179.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.04 -33.68 67.45 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 114.922 -1.035 . . . . 0.0 111.756 178.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.552 ' HG3' ' HB3' ' B' ' 45' ' ' ARG . 28.9 mm-40 -62.95 -49.2 75.69 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-O 121.432 0.634 . . . . 0.0 110.01 -177.596 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . 0.586 HG13 ' HB3' ' B' ' 37' ' ' LEU . 7.8 mm -60.49 -55.09 26.7 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.899 0 CA-C-N 114.398 -1.274 . . . . 0.0 110.856 -172.653 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 64.1 mt -56.48 -48.36 80.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 114.752 -1.113 . . . . 0.0 110.578 -178.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -64.86 -51.29 62.86 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 115.059 -0.973 . . . . 0.0 111.99 -173.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' HIS . . . . . 0.435 ' HB2' HD23 ' B' ' 17' ' ' LEU . 7.7 m-70 -61.25 -24.55 66.46 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 120.811 0.338 . . . . 0.0 111.391 -176.033 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . 0.402 HD21 HD11 ' B' ' 59' ' ' LEU . 35.7 mt -83.78 -50.28 8.27 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.988 -177.606 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 19.6 m -69.6 -32.88 54.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 120.956 0.408 . . . . 0.0 110.412 179.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -70.63 -26.54 63.52 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.745 177.012 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 6.6 ttp -78.96 0.24 28.33 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.297 0.57 . . . . 0.0 110.71 179.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 73.4 13.49 79.88 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.916 -0.659 . . . . 0.0 113.045 173.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . 0.402 HD11 HD21 ' B' ' 54' ' ' LEU . 4.4 pp -97.26 -21.36 17.31 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.236 0.541 . . . . 0.0 109.735 175.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -121.95 168.43 11.92 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.234 176.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -80.31 -67.75 0.74 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.263 -0.426 . . . . 0.0 112.088 -175.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 61.6 m -164.81 178.41 7.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.725 -170.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 54.3 t -57.81 -28.85 33.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 121.698 0.761 . . . . 0.0 109.385 171.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 31.2 mtmm -61.81 -19.18 62.26 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 114.738 -1.119 . . . . 0.0 111.289 176.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -90.02 -20.91 22.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.949 0.404 . . . . 0.0 110.876 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -107.08 -47.59 3.66 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 -173.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -127.23 -33.32 2.4 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 -166.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -98.53 105.38 17.51 Favored 'General case' 0 C--N 1.308 -1.222 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.549 -176.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -64.32 -13.88 52.77 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 176.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -74.24 72.86 1.37 Allowed Glycine 0 N--CA 1.443 -0.849 0 N-CA-C 111.274 -0.73 . . . . 0.0 111.274 173.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 4.3 p -52.62 149.74 5.72 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 176.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 65.4 t60 -59.0 -37.56 77.17 Favored 'General case' 0 CA--C 1.504 -0.793 0 CA-C-O 121.378 0.608 . . . . 0.0 109.759 -179.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . 0.401 HD11 ' HA ' ' B' ' 73' ' ' ILE . 3.7 mm -91.75 109.71 21.65 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.782 0 CA-C-O 122.921 1.343 . . . . 0.0 111.767 -176.331 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . 0.447 ' CG2' ' HD3' ' B' ' 113' ' ' ARG . 44.4 t -55.08 151.17 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.091 0 CA-C-N 111.828 -2.442 . . . . 0.0 108.798 168.543 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.17 80.29 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 121.547 0.689 . . . . 0.0 111.384 -179.254 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' TRP . . . . . 0.505 ' HA ' ' NE2' ' B' ' 80' ' ' GLN . 85.6 m95 -85.03 109.15 18.0 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.937 -175.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 17.9 p -104.85 172.34 6.84 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.262 173.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -53.73 -36.63 55.3 Favored Glycine 0 CA--C 1.518 0.223 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.456 -179.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . 0.598 ' O ' ' HG3' ' B' ' 83' ' ' GLU . 6.9 p-10 -72.66 -40.91 65.95 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.875 -0.163 . . . . 0.0 111.305 178.129 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' GLN . . . . . 0.505 ' NE2' ' HA ' ' B' ' 76' ' ' TRP . 0.1 OUTLIER -65.73 -39.4 91.1 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 120.926 0.393 . . . . 0.0 110.525 -178.388 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -64.64 -34.88 79.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.805 176.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -68.13 -41.8 81.13 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.609 179.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . 0.598 ' HG3' ' O ' ' B' ' 79' ' ' ASP . 67.2 mt-10 -53.47 -59.31 4.74 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-O 121.771 0.796 . . . . 0.0 110.666 179.114 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.04 -32.69 67.35 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 114.712 -1.131 . . . . 0.0 111.144 -171.758 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . 0.453 ' O ' ' HG3' ' B' ' 89' ' ' GLU . 0.0 OUTLIER -57.12 -49.81 74.76 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.771 0.319 . . . . 0.0 110.461 178.898 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 78.3 mtm180 -66.91 -47.69 70.97 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.246 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 5.7 tp -62.5 -39.24 92.86 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.289 -174.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.465 ' O ' ' HB2' ' B' ' 92' ' ' ARG . 2.8 t80 -58.8 -44.93 90.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.065 178.729 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.453 ' HG3' ' O ' ' B' ' 85' ' ' GLN . 35.7 mt-10 -68.12 -31.04 70.35 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.253 0.549 . . . . 0.0 110.52 179.117 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -70.87 -35.2 72.26 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.302 -174.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -112.56 15.06 20.22 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.729 0.3 . . . . 0.0 111.05 -178.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 92' ' ' ARG . . . . . 0.465 ' HB2' ' O ' ' B' ' 88' ' ' PHE . 70.0 ttt180 -68.09 -31.75 71.59 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.524 -175.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -92.85 24.73 3.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.32 0.581 . . . . 0.0 110.618 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 9.6 t -103.28 -176.43 3.08 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 177.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -82.53 -20.64 36.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.947 0.403 . . . . 0.0 110.385 -178.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -152.76 108.66 3.34 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.669 173.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 97' ' ' VAL . . . . . 0.521 ' O ' HG13 ' B' ' 101' ' ' ILE . 2.5 p -75.69 -42.5 41.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.855 -0.612 . . . . 0.0 111.657 -176.177 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 8.7 mp -76.57 -31.15 57.36 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -172.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -63.7 -32.29 83.65 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.485 -0.864 . . . . 0.0 111.515 174.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -82.63 -29.99 29.71 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 101' ' ' ILE . . . . . 0.521 HG13 ' O ' ' B' ' 97' ' ' VAL . 51.6 mt -59.39 -55.19 25.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.055 174.091 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 102' ' ' MET . . . . . 0.412 ' O ' ' HE2' ' B' ' 108' ' ' LYS . 38.7 mtt -55.22 -44.09 75.09 Favored 'General case' 0 C--N 1.331 -0.228 0 O-C-N 123.354 0.409 . . . . 0.0 112.077 -177.695 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -72.35 -24.13 61.24 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -177.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -112.46 18.61 18.31 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.05 0.453 . . . . 0.0 111.426 -175.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 105' ' ' ILE . . . . . 0.465 HG13 ' N ' ' B' ' 106' ' ' THR . 11.2 tp -118.72 162.2 17.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.289 0.566 . . . . 0.0 111.135 -179.264 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 106' ' ' THR . . . . . 0.465 ' N ' HG13 ' B' ' 105' ' ' ILE . 9.3 t -81.71 -35.78 29.41 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.493 -176.687 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . 0.478 ' HB2' ' NH1' ' B' ' 109' ' ' ARG . . . -110.61 128.33 55.63 Favored 'General case' 0 CA--C 1.514 -0.442 0 C-N-CA 121.202 -0.199 . . . . 0.0 110.493 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 108' ' ' LYS . . . . . 0.412 ' HE2' ' O ' ' B' ' 102' ' ' MET . 1.0 OUTLIER -83.19 101.78 11.44 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 175.33 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 109' ' ' ARG . . . . . 0.478 ' NH1' ' HB2' ' B' ' 107' ' ' ALA . 8.4 ptt-85 -118.46 144.02 46.29 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.14 -178.408 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 110' ' ' SER . . . . . 0.453 ' O ' HG13 ' B' ' 114' ' ' ILE . 34.2 t -64.62 148.43 50.92 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.221 -171.227 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -66.86 -38.55 86.56 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.398 -176.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -60.83 -29.62 69.6 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.46 0.648 . . . . 0.0 109.862 176.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . 0.447 ' HD3' ' CG2' ' B' ' 74' ' ' VAL . 33.5 mtt180 -77.39 -42.48 36.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.209 176.129 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 114' ' ' ILE . . . . . 0.453 HG13 ' O ' ' B' ' 110' ' ' SER . 92.3 mt -60.77 -55.04 27.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.487 -0.778 . . . . 0.0 111.124 -178.713 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 115' ' ' VAL . . . . . 0.589 ' O ' HD23 ' B' ' 119' ' ' LEU . 20.0 m -62.36 -35.1 67.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.641 -177.372 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -66.13 -35.11 79.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.263 0.554 . . . . 0.0 110.428 177.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.27 -39.62 78.29 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.361 177.183 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . 0.415 HD21 ' CD1' ' B' ' 88' ' ' PHE . 5.4 mp -54.21 -45.91 72.34 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 121.239 0.543 . . . . 0.0 110.785 175.628 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 119' ' ' LEU . . . . . 0.589 HD23 ' O ' ' B' ' 115' ' ' VAL . 4.1 mm? -64.24 -28.61 69.85 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.012 -0.994 . . . . 0.0 111.102 -179.776 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -84.29 -33.05 24.06 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.69 -177.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 96.0 mt -74.74 -24.75 58.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.268 176.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 82.39 34.0 24.14 Favored Glycine 0 N--CA 1.441 -0.987 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.464 -176.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 87.0 mt -80.09 -28.17 39.13 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-O 121.548 0.69 . . . . 0.0 109.241 178.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 124' ' ' VAL . . . . . 0.518 HG22 ' CD2' ' B' ' 130' ' ' LEU . 19.2 m -145.96 174.14 2.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 114.516 -1.22 . . . . 0.0 109.215 178.3 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . 0.485 ' HB1' ' HB3' ' B' ' 140' ' ' SER . . . -110.05 -8.07 14.86 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 121.13 0.49 . . . . 0.0 110.406 177.692 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 126' ' ' GLU . . . . . 0.546 ' CD ' ' HB3' ' B' ' 128' ' ' ARG . 17.2 pt-20 -162.73 172.56 15.08 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.153 -178.743 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 127' ' ' ARG . . . . . 0.74 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 12.0 mpt_? -76.08 -22.33 55.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.748 0.309 . . . . 0.0 111.229 178.641 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 128' ' ' ARG . . . . . 0.546 ' HB3' ' CD ' ' B' ' 126' ' ' GLU . 26.7 ttt-85 -59.51 -33.95 72.0 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -179.304 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -71.91 -9.29 58.14 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -175.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 130' ' ' LEU . . . . . 0.74 ' HG ' ' O ' ' B' ' 127' ' ' ARG . 0.1 OUTLIER -111.42 8.08 21.08 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.063 0.459 . . . . 0.0 110.948 179.022 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 131' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -123.63 126.22 46.22 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 172.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 27.7 mmtp -51.66 107.0 0.16 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.715 0.769 . . . . 0.0 112.811 -173.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -123.08 166.67 14.76 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.371 -1.286 . . . . 0.0 108.199 172.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 134' ' ' ARG . . . . . . . . . . . . . 27.8 mmt180 -90.59 80.76 5.95 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 175.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -90.52 150.33 21.82 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.007 -176.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.5 177.31 5.21 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.293 -0.867 . . . . 0.0 108.902 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 137' ' ' LYS . . . . . 0.517 ' HG2' ' O ' ' B' ' 137' ' ' LYS . 0.0 OUTLIER -69.17 90.5 0.48 Allowed 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 122.334 1.064 . . . . 0.0 110.402 178.878 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 138' ' ' LEU . . . . . 0.543 HD23 ' N ' ' B' ' 139' ' ' ALA . 7.1 tt -137.49 151.53 48.55 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.239 -0.891 . . . . 0.0 109.137 -176.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 139' ' ' ALA . . . . . 0.543 ' N ' HD23 ' B' ' 138' ' ' LEU . . . -72.15 -156.12 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.609 0.242 . . . . 0.0 110.848 178.598 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 140' ' ' SER . . . . . 0.485 ' HB3' ' HB1' ' B' ' 125' ' ' ALA . 60.9 m -60.03 114.71 2.98 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 175.742 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 141' ' ' SER . . . . . . . . . . . . . 58.9 m . . . . . 0 C--O 1.253 1.272 0 CA-C-O 118.363 -0.827 . . . . 0.0 110.878 -178.089 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 7.3 t70 . . . . . 0 N--CA 1.48 1.068 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -69.92 -46.58 1.11 Allowed 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.816 2.344 . . . . 0.0 113.773 -172.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 38.2 t -147.7 -54.98 0.22 Allowed 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 -178.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' B' ' 4' ' ' ARG . 51.0 mtt180 -138.8 -175.79 4.26 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.92 -1.037 . . . . 0.0 108.512 172.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -64.27 115.78 5.38 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 176.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.38 145.3 82.23 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.114 0.483 . . . . 0.0 111.149 -177.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -79.68 167.67 20.4 Favored 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 122.982 2.455 . . . . 0.0 113.075 -175.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -80.57 148.65 30.25 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.87 177.451 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' TRP . . . . . 0.484 ' CH2' HD12 ' B' ' 17' ' ' LEU . 52.4 m95 -77.35 135.78 38.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.156 0.503 . . . . 0.0 111.874 -174.227 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' SER . . . . . 0.53 ' OG ' ' HB2' ' B' ' 13' ' ' GLU . 16.3 p -87.24 160.97 47.57 Favored Pre-proline 0 C--N 1.32 -0.698 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.645 173.69 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_exo -53.46 -39.94 80.29 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.778 2.319 . . . . 0.0 112.802 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -76.38 -15.71 59.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.019 -179.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.53 ' HB2' ' OG ' ' B' ' 10' ' ' SER . 24.2 tt0 -84.85 -49.71 8.17 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.074 -175.706 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . 0.47 ' O ' ' HB3' ' B' ' 17' ' ' LEU . 45.7 mt-10 -58.83 -37.21 75.93 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.371 177.451 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.13 -40.64 82.43 Favored 'General case' 0 C--O 1.216 -0.687 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.899 178.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.416 ' HA ' ' HB3' ' B' ' 19' ' ' GLU . 5.8 t-160 -64.98 -31.59 72.91 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 178.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.484 HD12 ' CH2' ' B' ' 9' ' ' TRP . 30.7 tp -57.26 -56.13 25.79 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.005 177.03 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . 0.753 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 12.4 ptt180 -74.02 -31.14 62.79 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.93 178.51 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . 0.416 ' HB3' ' HA ' ' B' ' 16' ' ' HIS . 12.2 tp10 -51.37 -48.94 62.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.687 0.756 . . . . 0.0 110.207 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.484 HD13 ' HA ' ' B' ' 36' ' ' ILE . 0.7 OUTLIER -75.08 -28.38 60.28 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.706 -1.134 . . . . 0.0 111.274 -178.434 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -69.73 -50.13 46.47 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.133 0.492 . . . . 0.0 109.873 178.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.753 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 34.7 mt -64.33 -23.46 67.3 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.66 -176.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.07 -35.46 56.59 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.923 178.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -116.95 13.41 14.9 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -171.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -73.01 -13.74 61.29 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.812 0.339 . . . . 0.0 111.496 -178.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -118.38 9.02 12.29 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.037 0.446 . . . . 0.0 110.302 178.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 63.0 t -100.08 108.72 23.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.452 -178.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -99.1 157.59 16.25 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.124 178.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.07 -0.79 69.55 Favored Glycine 0 N--CA 1.451 -0.339 0 N-CA-C 110.29 -1.124 . . . . 0.0 110.29 -172.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . 0.55 ' NE2' ' HB1' ' B' ' 35' ' ' ALA . 6.7 tt0 -147.04 143.94 28.74 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.075 -1.063 . . . . 0.0 108.294 177.662 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -75.3 126.63 31.42 Favored 'General case' 0 C--N 1.317 -0.809 0 C-N-CA 120.335 -0.546 . . . . 0.0 109.8 174.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . 0.525 ' O ' HG13 ' B' ' 36' ' ' ILE . 9.8 p -60.48 -36.59 70.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 173.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . 0.787 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 1.6 t -58.81 -59.59 3.52 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 CA-C-N 115.262 -0.881 . . . . 0.0 109.768 177.347 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -54.54 -38.28 66.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.261 -0.882 . . . . 0.0 110.912 -177.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . 0.55 ' HB1' ' NE2' ' B' ' 30' ' ' GLN . . . -58.01 -49.79 75.63 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.151 0.501 . . . . 0.0 110.459 177.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.57 ' O ' ' HG ' ' B' ' 40' ' ' LEU . 39.6 mt -67.42 -53.75 29.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.588 -179.511 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.787 ' HG ' ' O ' ' B' ' 33' ' ' VAL . 14.8 mt -51.4 -40.53 59.46 Favored 'General case' 0 N--CA 1.468 0.442 0 O-C-N 123.624 0.578 . . . . 0.0 111.2 -176.201 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -89.38 -44.69 10.02 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 113.45 0.907 . . . . 0.0 113.45 -171.118 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -75.66 -11.48 60.01 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.581 0.585 . . . . 0.0 112.581 -168.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' B' ' 36' ' ' ILE . 0.8 OUTLIER -104.16 80.64 1.74 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 122.081 0.943 . . . . 0.0 110.183 169.651 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 28.5 p-10 -83.0 42.04 0.78 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.241 -0.891 . . . . 0.0 110.323 -178.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 11.9 t -104.41 1.2 29.85 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.512 -177.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . 0.836 HG23 ' CZ ' ' B' ' 45' ' ' ARG . 7.2 p -157.22 129.96 4.34 Favored Pre-proline 0 N--CA 1.449 -0.477 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 -171.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -85.78 89.85 0.74 Allowed 'Trans proline' 0 N--CA 1.454 -0.809 0 C-N-CA 122.816 2.344 . . . . 0.0 111.446 166.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.836 ' CZ ' HG23 ' B' ' 43' ' ' VAL . 0.6 OUTLIER -132.22 160.63 35.59 Favored 'General case' 0 CA--C 1.512 -0.504 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 177.39 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 5.1 t -69.4 148.84 49.07 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 177.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . 0.442 ' HD2' ' HB3' ' B' ' 37' ' ' LEU . 13.4 mmt180 -61.37 -24.93 66.82 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.334 0.588 . . . . 0.0 110.415 -176.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -59.88 -33.63 72.08 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.792 -1.095 . . . . 0.0 111.421 179.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -64.79 -49.81 69.23 Favored 'General case' 0 CA--C 1.52 -0.191 0 C-N-CA 121.025 -0.27 . . . . 0.0 111.039 -177.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 2.0 mp -53.33 -52.84 27.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 O-C-N 123.313 0.383 . . . . 0.0 110.867 -178.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . 0.534 HG22 ' CG ' ' B' ' 66' ' ' PHE . 82.6 mt -54.91 -49.62 68.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.378 0.609 . . . . 0.0 111.124 179.267 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -60.3 -43.81 95.98 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.96 -176.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 51.1 m-70 -72.0 -25.09 61.69 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.904 -0.318 . . . . 0.0 111.362 -175.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . 0.414 ' CD2' HD12 ' B' ' 59' ' ' LEU . 51.1 mt -71.46 -52.64 17.34 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.946 0.879 . . . . 0.0 110.016 176.363 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . 0.468 ' HA ' ' HB1' ' B' ' 60' ' ' ALA . 2.4 t -65.44 -35.04 74.36 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.214 0 CA-C-N 114.275 -1.33 . . . . 0.0 110.562 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -73.16 -19.3 61.15 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.685 177.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.514 ' SD ' ' HD3' ' B' ' 18' ' ' ARG . 31.5 ttm -88.0 -1.53 58.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.078 0.466 . . . . 0.0 110.609 -178.037 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 85.11 -2.91 88.0 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 121.043 -0.599 . . . . 0.0 112.798 177.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . 0.414 HD12 ' CD2' ' B' ' 54' ' ' LEU . 4.3 pp -89.8 -10.61 44.81 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.391 0.615 . . . . 0.0 110.213 -179.595 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . 0.468 ' HB1' ' HA ' ' B' ' 55' ' ' VAL . . . -134.02 154.6 51.03 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.313 174.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -82.34 -57.0 3.56 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -174.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 21.2 t -163.71 167.41 21.07 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.781 0.324 . . . . 0.0 110.738 -176.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 61.7 t -64.56 -17.08 20.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.566 175.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . 0.614 ' HA ' ' O ' ' B' ' 68' ' ' ARG . 12.0 pttm -54.69 -36.29 64.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 122.109 0.957 . . . . 0.0 110.677 177.19 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -86.59 -16.56 36.41 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 113.804 -1.544 . . . . 0.0 110.182 -172.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' PHE . . . . . 0.534 ' CG ' HG22 ' B' ' 51' ' ' ILE . 37.8 m-85 -99.65 -48.11 4.85 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.811 -178.305 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -137.15 -80.05 0.38 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.092 0.472 . . . . 0.0 112.148 -172.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' ARG . . . . . 0.614 ' O ' ' HA ' ' B' ' 64' ' ' LYS . 75.6 mtp180 -107.08 130.22 54.71 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.466 -173.088 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . 0.474 ' HA ' ' HA ' ' B' ' 64' ' ' LYS . 14.8 pttm -67.71 95.44 0.5 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.667 0.746 . . . . 0.0 112.092 -177.398 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -127.63 129.28 6.36 Favored Glycine 0 N--CA 1.442 -0.954 0 CA-C-N 114.776 -1.102 . . . . 0.0 110.724 172.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 13.1 p -82.39 121.76 27.13 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.802 0.334 . . . . 0.0 111.243 -179.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . 0.549 ' CG ' ' N ' ' B' ' 73' ' ' ILE . 6.8 p80 -63.29 -100.75 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 106.705 -1.591 . . . . 0.0 106.705 168.216 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . 0.549 ' N ' ' CG ' ' B' ' 72' ' ' HIS . 0.3 OUTLIER -179.94 148.83 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.745 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 139.247 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . 0.492 ' O ' HG22 ' B' ' 73' ' ' ILE . 0.2 OUTLIER -76.28 124.83 35.25 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.976 0 N-CA-C 107.899 -1.149 . . . . 0.0 107.899 166.576 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . 0.471 ' O ' ' HG ' ' B' ' 75' ' ' LEU . 0.6 OUTLIER -48.22 102.78 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.615 0.721 . . . . 0.0 112.047 -171.072 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' TRP . . . . . 0.512 ' CD1' HD11 ' B' ' 73' ' ' ILE . 60.1 m95 -97.42 115.74 28.31 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.486 -176.542 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 43.4 p -102.53 172.43 6.87 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.32 -0.855 . . . . 0.0 108.999 171.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -64.11 -30.93 79.16 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.486 -0.864 . . . . 0.0 111.6 176.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -76.1 -46.2 30.13 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.775 -0.212 . . . . 0.0 111.127 -178.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -68.45 -25.14 64.86 Favored 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 120.347 -0.541 . . . . 0.0 109.614 178.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -61.34 -47.55 85.37 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.64 174.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 24.7 tp -64.4 -41.04 96.86 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.511 177.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . 0.424 ' CD ' HD12 ' B' ' 105' ' ' ILE . 0.7 OUTLIER -53.64 -55.71 23.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.243 177.215 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . 0.423 HD22 ' NH2' ' B' ' 109' ' ' ARG . 3.1 tm? -62.68 -39.36 93.71 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.07 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -57.77 -55.52 33.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.809 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 23.2 mtp180 -66.39 -45.81 78.77 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.688 0.28 . . . . 0.0 111.613 -179.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 8.3 tp -60.04 -44.18 94.83 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.622 -175.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.597 ' O ' ' HG3' ' B' ' 92' ' ' ARG . 6.6 t80 -52.25 -51.15 60.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.019 177.368 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -60.88 -46.29 91.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.052 0.453 . . . . 0.0 111.191 -179.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -70.89 -19.96 62.55 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.419 -171.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -107.1 6.47 28.91 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 177.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 92' ' ' ARG . . . . . 0.597 ' HG3' ' O ' ' B' ' 88' ' ' PHE . 53.0 mtm180 -68.04 -19.05 64.85 Favored 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 169.493 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -80.97 -1.26 43.02 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 113.723 -1.581 . . . . 0.0 110.647 -178.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 27.2 m -104.85 -175.56 2.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.793 -179.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -81.35 -21.35 39.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.078 0.466 . . . . 0.0 111.119 -178.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -154.01 108.33 3.04 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 175.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 97' ' ' VAL . . . . . 0.677 ' O ' HG13 ' B' ' 101' ' ' ILE . 1.3 p -62.72 -43.33 98.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.23 -177.235 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 8.4 mp -76.93 -36.86 56.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.633 0.254 . . . . 0.0 111.202 -176.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 99' ' ' GLY . . . . . 0.616 ' O ' ' HD3' ' B' ' 103' ' ' LYS . . . -61.47 -33.07 83.41 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.743 -0.741 . . . . 0.0 111.296 175.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -84.78 -26.31 27.62 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 178.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 101' ' ' ILE . . . . . 0.677 HG13 ' O ' ' B' ' 97' ' ' VAL . 39.7 mt -58.76 -55.07 25.47 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.303 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 172.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 26.5 mtt -56.68 -50.3 72.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.107 -0.497 . . . . 0.0 112.134 -177.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 103' ' ' LYS . . . . . 0.616 ' HD3' ' O ' ' B' ' 99' ' ' GLY . 0.8 OUTLIER -70.07 -18.76 63.29 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.629 -173.9 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 46.9 m-80 -117.48 15.64 14.68 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.884 -179.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 105' ' ' ILE . . . . . 0.545 HG13 ' H ' ' B' ' 107' ' ' ALA . 9.0 tp -110.45 159.29 10.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.423 0.63 . . . . 0.0 111.539 -177.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 2.0 t -94.24 -19.18 20.96 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.859 -1.064 . . . . 0.0 110.346 -179.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . 0.545 ' H ' HG13 ' B' ' 105' ' ' ILE . . . -92.24 144.52 25.32 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.719 -176.766 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 7.5 mmpt? -80.12 100.79 8.4 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 169.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 109' ' ' ARG . . . . . 0.423 ' NH2' HD22 ' B' ' 84' ' ' LEU . 5.4 ttp180 -130.83 121.25 24.97 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.597 -0.728 . . . . 0.0 109.69 -173.031 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 99.1 p -94.22 164.53 13.01 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.371 -176.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 111' ' ' ARG . . . . . 0.5 ' O ' HG12 ' B' ' 115' ' ' VAL . 21.8 mmm-85 -56.54 -48.99 76.1 Favored 'General case' 0 N--CA 1.464 0.23 0 O-C-N 123.333 0.395 . . . . 0.0 111.471 -172.186 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -58.93 -36.88 75.49 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 -174.138 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . 0.464 HH11 ' HB ' ' B' ' 74' ' ' VAL . 11.0 ptt180 -86.87 -20.19 27.81 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.488 -0.485 . . . . 0.0 111.559 -177.163 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 88.4 mt -74.62 -45.41 45.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.07 0.462 . . . . 0.0 109.982 174.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 115' ' ' VAL . . . . . 0.517 ' O ' HD23 ' B' ' 119' ' ' LEU . 15.0 m -66.64 -34.54 70.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.799 -178.014 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -66.85 -31.08 71.46 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.231 -0.441 . . . . 0.0 109.921 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 53.6 tptt -70.48 -40.98 73.32 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.88 177.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 21.1 mt -57.23 -48.59 78.43 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-O 121.35 0.595 . . . . 0.0 110.477 178.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 119' ' ' LEU . . . . . 0.517 HD23 ' O ' ' B' ' 115' ' ' VAL . 4.4 mm? -61.33 -30.87 70.77 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.684 -1.144 . . . . 0.0 110.839 -178.615 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -72.31 -39.53 68.17 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.76 -179.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 10.2 mp -75.5 -25.28 57.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.946 175.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 84.42 31.65 24.41 Favored Glycine 0 N--CA 1.444 -0.797 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.438 -174.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . 0.498 HD11 ' CD2' ' B' ' 88' ' ' PHE . 92.9 mt -76.72 -28.82 55.97 Favored 'General case' 0 CA--C 1.512 -0.493 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 179.588 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 124' ' ' VAL . . . . . 0.607 HG23 ' CD2' ' B' ' 130' ' ' LEU . 20.3 m -144.16 171.89 6.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 114.373 -1.285 . . . . 0.0 109.704 175.147 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -112.78 -11.06 13.54 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.938 179.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -153.9 167.03 31.09 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.159 -179.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 127' ' ' ARG . . . . . 0.736 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 1.2 mpp_? -80.02 -26.52 39.78 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -175.504 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 128' ' ' ARG . . . . . . . . . . . . . 15.1 ttp180 -60.47 -38.95 85.84 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 -176.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 129' ' ' GLU . . . . . 0.524 ' OE2' ' HA ' ' B' ' 140' ' ' SER . 56.8 mm-40 -70.74 -7.27 43.65 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 -170.613 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 130' ' ' LEU . . . . . 0.736 ' HG ' ' O ' ' B' ' 127' ' ' ARG . 0.0 OUTLIER -104.49 16.11 26.77 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.158 0.504 . . . . 0.0 110.642 177.948 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 131' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -122.43 118.9 29.46 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 173.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -76.41 97.54 4.3 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.917 0.389 . . . . 0.0 110.53 -178.424 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -137.38 170.84 15.4 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.979 -179.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 134' ' ' ARG . . . . . . . . . . . . . 23.6 mmt180 -80.91 86.8 6.0 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.461 -0.941 . . . . 0.0 108.461 173.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -112.4 143.8 42.91 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.18 -172.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.3 94.97 5.51 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.913 0.864 . . . . 0.0 108.856 175.764 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 52.5 tptt -148.42 151.47 35.31 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 114.473 -1.24 . . . . 0.0 109.388 -172.086 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 138' ' ' LEU . . . . . 0.504 ' HG ' ' N ' ' B' ' 139' ' ' ALA . 14.0 tp -45.86 163.34 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 123.616 0.572 . . . . 0.0 109.802 165.663 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 139' ' ' ALA . . . . . 0.504 ' N ' ' HG ' ' B' ' 138' ' ' LEU . . . -59.82 144.35 48.75 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 -179.257 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 140' ' ' SER . . . . . 0.524 ' HA ' ' OE2' ' B' ' 129' ' ' GLU . 73.7 m -47.49 116.27 1.38 Allowed 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.792 0.806 . . . . 0.0 112.946 -166.225 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 141' ' ' SER . . . . . . . . . . . . . 10.3 t . . . . . 0 C--O 1.246 0.877 0 CA-C-N 114.516 -1.22 . . . . 0.0 109.784 -176.143 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 19.5 t70 . . . . . 0 N--CA 1.479 0.986 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -78.31 -29.25 4.06 Favored 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.561 2.174 . . . . 0.0 112.201 178.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 15.0 p -87.07 45.35 1.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.652 -175.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -86.03 -165.92 1.39 Allowed 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.84 -178.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -46.56 118.3 1.94 Allowed 'General case' 0 C--O 1.234 0.243 0 O-C-N 123.387 0.43 . . . . 0.0 110.185 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . 0.4 ' HA ' ' HD3' ' B' ' 7' ' ' PRO . . . -51.35 130.28 33.28 Favored Pre-proline 0 C--N 1.332 -0.171 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.224 -176.623 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' B' ' 6' ' ' ALA . 37.8 Cg_exo -62.65 174.92 2.53 Favored 'Trans proline' 0 CA--C 1.528 0.195 0 C-N-CA 123.014 2.476 . . . . 0.0 112.837 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.19 158.04 15.63 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.955 174.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 93.1 m95 -92.14 166.0 12.86 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.24 0.543 . . . . 0.0 110.756 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 34.8 p -138.74 151.42 68.57 Favored Pre-proline 0 C--N 1.317 -0.809 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 175.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -42.02 -42.7 7.07 Favored 'Trans proline' 0 CA--C 1.531 0.369 0 C-N-CA 123.388 2.726 . . . . 0.0 113.471 178.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' B' ' 13' ' ' GLU . 8.8 pt-20 -66.35 -41.89 88.86 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.277 -179.728 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.401 ' N ' ' HG3' ' B' ' 12' ' ' GLU . 8.9 tp10 -77.45 -31.78 54.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.801 0.334 . . . . 0.0 110.589 -176.251 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -67.48 -37.4 82.84 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.021 0.438 . . . . 0.0 110.004 176.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.28 -28.88 69.64 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.033 174.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.497 ' HA ' ' CB ' ' B' ' 19' ' ' GLU . 11.9 t-160 -77.99 -29.36 49.58 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.387 177.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.421 HD13 HG23 ' B' ' 50' ' ' ILE . 38.9 tp -63.22 -47.67 81.53 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 176.4 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . 0.741 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 13.4 ptt180 -77.79 -24.86 48.74 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.698 176.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . 0.497 ' CB ' ' HA ' ' B' ' 16' ' ' HIS . 10.2 tp10 -52.45 -53.09 50.11 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.664 0.745 . . . . 0.0 109.98 177.678 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.432 HD12 ' HA ' ' B' ' 36' ' ' ILE . 0.3 OUTLIER -71.73 -29.0 64.06 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.965 -1.016 . . . . 0.0 111.044 -178.933 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' TYR . . . . . 0.405 ' CD2' HD11 ' B' ' 59' ' ' LEU . 90.7 t80 -67.6 -54.25 21.33 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-O 121.292 0.568 . . . . 0.0 109.559 178.379 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.741 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 39.4 mt -62.17 -24.52 67.23 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.067 -0.969 . . . . 0.0 110.854 -177.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.19 -27.63 42.61 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -178.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 49.4 m-80 -124.0 12.13 8.99 Favored 'General case' 0 N--CA 1.461 0.121 0 N-CA-C 112.289 0.477 . . . . 0.0 112.289 -175.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 13.3 ptmm? -79.16 -14.51 59.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.022 0.439 . . . . 0.0 110.838 -179.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -99.52 6.69 45.8 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.542 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 42.6 t -102.56 107.65 22.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -80.7 142.65 33.68 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.324 -178.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.88 21.51 63.27 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.714 -0.755 . . . . 0.0 111.856 -178.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . 0.533 ' OE1' ' HB3' ' B' ' 35' ' ' ALA . 0.9 OUTLIER -138.48 132.04 30.63 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 178.026 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -73.02 95.12 1.97 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.213 178.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . 0.5 ' O ' HG13 ' B' ' 36' ' ' ILE . 9.4 p -56.69 -30.84 33.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 109.452 -0.574 . . . . 0.0 109.452 177.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . 0.666 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 3.3 t -54.37 -59.43 2.17 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 CA-C-N 115.087 -0.961 . . . . 0.0 109.952 177.168 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.516 ' HA ' ' CD1' ' B' ' 37' ' ' LEU . 45.1 mt-10 -72.46 -27.51 62.35 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.695 -178.587 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . 0.533 ' HB3' ' OE1' ' B' ' 30' ' ' GLN . . . -53.82 -45.43 70.84 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.42 0.629 . . . . 0.0 109.384 173.014 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.56 ' O ' ' HG ' ' B' ' 40' ' ' LEU . 48.5 mt -73.2 -64.96 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.794 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.863 -178.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.666 ' HG ' ' O ' ' B' ' 33' ' ' VAL . 3.0 pp -65.5 -20.32 66.3 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 -169.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -89.77 -27.48 19.99 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 178.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 19.4 m-70 -87.48 -29.69 21.2 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.393 -0.523 . . . . 0.0 112.214 -176.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.56 ' HG ' ' O ' ' B' ' 36' ' ' ILE . 0.6 OUTLIER -97.35 87.83 4.25 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 119.731 -0.788 . . . . 0.0 111.845 179.301 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -83.96 40.39 0.75 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.899 0.856 . . . . 0.0 109.187 178.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' THR . . . . . 0.465 HG23 ' HB2' ' B' ' 40' ' ' LEU . 4.7 t -97.64 -12.57 22.28 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.315 177.508 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 4.1 m -144.13 112.7 5.23 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.262 -177.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -71.07 94.69 0.65 Allowed 'Trans proline' 0 C--O 1.233 0.273 0 C-N-CA 122.285 1.99 . . . . 0.0 111.082 173.194 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 91.3 mtt-85 -133.96 177.57 7.63 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-O 121.165 0.507 . . . . 0.0 112.262 -171.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 12.6 t -108.29 166.53 10.69 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.345 -178.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 9.9 mpt_? -54.95 -54.53 41.64 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 120.773 0.321 . . . . 0.0 111.372 -177.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 24.8 ttpt -51.17 -32.52 23.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.694 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -69.34 -54.87 12.36 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.801 -172.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . 0.421 HG23 HD13 ' B' ' 17' ' ' LEU . 1.7 mp -59.82 -48.98 85.58 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 CA-C-O 120.603 0.239 . . . . 0.0 110.412 178.706 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . 0.486 HG22 ' CG ' ' B' ' 66' ' ' PHE . 78.6 mt -52.96 -48.17 52.18 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.142 -178.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -59.33 -43.13 92.75 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.321 -0.854 . . . . 0.0 112.537 -174.176 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' HIS . . . . . 0.516 ' O ' ' HB2' ' B' ' 57' ' ' MET . 9.6 m-70 -73.12 -23.05 60.45 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.985 0.421 . . . . 0.0 110.88 -174.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . 0.448 ' HB3' HD13 ' B' ' 59' ' ' LEU . 48.5 mt -76.89 -50.59 12.98 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.559 -178.241 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . 0.444 ' HA ' ' HB2' ' B' ' 60' ' ' ALA . 10.7 m -68.49 -26.77 34.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.159 0.504 . . . . 0.0 110.301 179.193 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -79.85 -17.29 53.61 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.962 176.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.516 ' HB2' ' O ' ' B' ' 53' ' ' HIS . 26.2 ttm -87.24 -2.83 58.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.114 0.483 . . . . 0.0 110.728 -179.478 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 85.13 -2.39 88.26 Favored Glycine 0 CA--C 1.511 -0.197 0 C-N-CA 121.06 -0.59 . . . . 0.0 112.517 174.302 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . 0.448 HD13 ' HB3' ' B' ' 54' ' ' LEU . 3.5 pp -85.23 -15.34 43.86 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.07 0.462 . . . . 0.0 110.57 -179.375 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . 0.444 ' HB2' ' HA ' ' B' ' 55' ' ' VAL . . . -127.19 167.41 16.1 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.019 173.41 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -81.94 -65.84 0.96 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.899 0.38 . . . . 0.0 110.477 177.03 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' SER . . . . . 0.479 ' OG ' ' HB2' ' B' ' 72' ' ' HIS . 41.5 m -148.71 170.95 17.03 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.433 -174.232 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' VAL . . . . . 0.431 HG11 HG21 ' B' ' 51' ' ' ILE . 78.4 t -60.39 -25.53 34.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.549 176.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 18.3 pttm -53.13 -37.68 62.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.635 -0.712 . . . . 0.0 111.497 -179.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -66.38 -24.22 66.45 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.077 -0.965 . . . . 0.0 111.507 -178.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' PHE . . . . . 0.486 ' CG ' HG22 ' B' ' 51' ' ' ILE . 2.2 m-85 -100.3 -48.56 4.55 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.515 0.674 . . . . 0.0 109.803 178.608 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -150.23 100.23 2.88 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.611 -1.177 . . . . 0.0 109.805 -176.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 41.8 ttt180 -70.17 83.67 0.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.391 0.615 . . . . 0.0 111.125 177.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -112.63 -49.61 2.94 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 170.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -108.61 114.1 3.98 Favored Glycine 0 N--CA 1.444 -0.783 0 N-CA-C 110.401 -1.08 . . . . 0.0 110.401 171.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 3.8 p -77.64 134.39 38.19 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -175.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . 0.479 ' HB2' ' OG ' ' B' ' 62' ' ' SER . 2.9 t60 -58.51 119.73 7.55 Favored 'General case' 0 N--CA 1.441 -0.897 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 164.342 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -130.77 120.97 49.12 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.337 0 CA-C-O 121.708 0.766 . . . . 0.0 111.526 -178.532 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 29.5 m -71.08 145.57 12.51 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.0 0 CA-C-N 114.251 -1.34 . . . . 0.0 107.896 171.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.92 88.58 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 113.018 0.747 . . . . 0.0 113.018 -171.192 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' TRP . . . . . 0.577 ' CZ3' ' HG2' ' B' ' 80' ' ' GLN . 52.5 m95 -85.55 108.79 18.11 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.349 0.595 . . . . 0.0 111.086 -177.626 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 53.1 p -114.71 177.12 4.76 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.32 175.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -61.39 -31.6 77.96 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.499 -0.858 . . . . 0.0 111.303 173.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -70.56 -53.99 13.88 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.66 -0.27 . . . . 0.0 110.307 178.015 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' GLN . . . . . 0.577 ' HG2' ' CZ3' ' B' ' 76' ' ' TRP . 29.0 tt0 -66.85 -32.57 73.94 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.148 -176.769 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -60.04 -41.28 91.93 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 176.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . 0.505 ' O ' ' HG3' ' B' ' 86' ' ' ARG . 25.1 tp -67.78 -43.27 80.15 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.433 176.569 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -51.43 -47.78 62.9 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.047 0.451 . . . . 0.0 110.471 178.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 50.0 tp -59.93 -52.47 65.27 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.561 178.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . 0.462 ' O ' ' HG3' ' B' ' 89' ' ' GLU . 28.9 tt0 -56.96 -50.62 72.08 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 123.767 0.667 . . . . 0.0 111.693 -175.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 86' ' ' ARG . . . . . 0.505 ' HG3' ' O ' ' B' ' 82' ' ' LEU . 76.5 mtp180 -55.56 -53.05 61.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.467 -177.349 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 9.6 mp -63.8 -39.46 94.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.771 0.32 . . . . 0.0 110.879 179.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.625 ' O ' ' HB2' ' B' ' 92' ' ' ARG . 11.9 t80 -54.45 -48.34 71.85 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.774 176.371 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.462 ' HG3' ' O ' ' B' ' 85' ' ' GLN . 48.2 mt-10 -66.04 -39.72 90.39 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.25 0.547 . . . . 0.0 110.996 179.078 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -71.79 -35.62 70.06 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.749 -0.659 . . . . 0.0 112.473 -170.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -112.3 18.04 18.91 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.922 0.391 . . . . 0.0 111.03 -177.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 92' ' ' ARG . . . . . 0.625 ' HB2' ' O ' ' B' ' 88' ' ' PHE . 45.8 ttp180 -68.92 -33.52 73.87 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.654 -174.45 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -77.18 18.37 0.39 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.462 -0.79 . . . . 0.0 112.264 -177.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 89.2 p -104.59 177.88 4.72 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 176.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -74.1 -27.64 60.97 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.17 0.51 . . . . 0.0 110.321 -179.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -143.32 101.07 3.74 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.853 179.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 97' ' ' VAL . . . . . 0.477 ' O ' HG13 ' B' ' 101' ' ' ILE . 7.8 p -75.14 -34.44 31.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.475 -176.773 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . 0.401 ' O ' ' HG2' ' B' ' 102' ' ' MET . 5.9 mp -65.88 -38.02 87.67 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.543 0.571 . . . . 0.0 112.543 -172.469 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -60.74 -34.52 87.06 Favored Glycine 0 C--O 1.226 -0.399 0 C-N-CA 120.727 -0.749 . . . . 0.0 111.852 179.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -75.28 -25.87 58.31 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.938 0.399 . . . . 0.0 109.96 179.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 101' ' ' ILE . . . . . 0.477 HG13 ' O ' ' B' ' 97' ' ' VAL . 71.7 mt -69.91 -64.46 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.774 178.674 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 102' ' ' MET . . . . . 0.635 ' HE3' ' O ' ' B' ' 109' ' ' ARG . 5.9 ptp -63.89 -21.57 66.52 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.103 -0.499 . . . . 0.0 112.183 -174.213 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 5.9 mptp? -86.07 -33.27 21.01 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -93.23 -19.5 21.35 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.607 -175.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 105' ' ' ILE . . . . . 0.54 HG12 ' NH2' ' B' ' 109' ' ' ARG . 11.1 tp -91.17 152.08 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.179 0.514 . . . . 0.0 110.829 -179.083 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 7.1 t -72.31 -31.04 65.34 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.196 -0.911 . . . . 0.0 111.567 -175.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . 0.416 ' O ' HG22 ' B' ' 105' ' ' ILE . . . -86.93 127.52 35.06 Favored 'General case' 0 CA--C 1.515 -0.37 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.052 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 108' ' ' LYS . . . . . 0.406 ' HA ' ' HE2' ' B' ' 108' ' ' LYS . 11.1 mmpt? -82.15 100.74 10.0 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.483 0.659 . . . . 0.0 109.311 178.728 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 109' ' ' ARG . . . . . 0.635 ' O ' ' HE3' ' B' ' 102' ' ' MET . 33.9 mtt180 -110.84 132.4 54.23 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.223 -0.899 . . . . 0.0 108.79 -178.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 32.6 t -85.59 167.09 15.69 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.967 -174.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 10.1 mmt180 -57.71 -53.58 56.62 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 -173.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.03 -26.44 64.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.124 0.488 . . . . 0.0 111.335 -178.022 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . 0.482 ' HD2' ' HE1' ' B' ' 76' ' ' TRP . 6.6 tpp180 -85.88 -35.63 20.46 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.913 -177.651 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 86.1 mt -72.42 -47.34 52.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.421 177.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 115' ' ' VAL . . . . . 0.499 ' O ' HD22 ' B' ' 119' ' ' LEU . 36.0 m -61.72 -40.6 87.39 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-O 120.921 0.391 . . . . 0.0 110.884 -178.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -64.24 -36.2 83.32 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.631 -178.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 55.3 tptt -71.7 -38.07 70.58 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.074 -177.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . 0.418 HD22 HD12 ' B' ' 123' ' ' LEU . 18.1 mt -57.42 -47.37 81.94 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-O 121.189 0.519 . . . . 0.0 110.398 175.603 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 119' ' ' LEU . . . . . 0.499 HD22 ' O ' ' B' ' 115' ' ' VAL . 4.5 mm? -63.19 -32.76 74.23 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.102 -0.953 . . . . 0.0 111.069 -178.749 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -84.12 -24.1 30.42 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.148 -177.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 48.8 tp -92.76 -13.13 29.68 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.457 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 78.11 34.92 35.93 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.555 178.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . 0.423 HD11 ' CD2' ' B' ' 88' ' ' PHE . 42.5 mt -84.79 -24.03 28.89 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.261 0.553 . . . . 0.0 110.023 177.481 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 124' ' ' VAL . . . . . 0.468 HG23 HD22 ' B' ' 130' ' ' LEU . 14.0 m -146.46 -176.32 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.215 -179.215 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -116.16 -6.79 11.89 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.266 179.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -175.36 171.98 2.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.019 -174.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 127' ' ' ARG . . . . . 0.722 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 8.9 mpt_? -78.17 -20.46 51.92 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.7 0.286 . . . . 0.0 111.262 178.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 128' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -59.32 -36.3 75.38 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.305 0.574 . . . . 0.0 110.916 -178.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -78.63 -7.57 57.76 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.298 -0.864 . . . . 0.0 112.3 -171.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 130' ' ' LEU . . . . . 0.722 ' HG ' ' O ' ' B' ' 127' ' ' ARG . 0.4 OUTLIER -83.48 -10.06 58.59 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.662 0.744 . . . . 0.0 109.914 -176.014 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 131' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -123.73 130.53 52.78 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.1 -0.955 . . . . 0.0 109.011 -175.227 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . 0.436 ' HG2' HH11 ' B' ' 134' ' ' ARG . 40.2 ttmt -45.2 131.87 7.61 Favored 'General case' 0 N--CA 1.465 0.306 0 O-C-N 123.542 0.526 . . . . 0.0 111.498 -177.038 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . 0.503 ' HG3' ' NE2' ' B' ' 135' ' ' GLN . 0.0 OUTLIER -138.63 146.32 41.55 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.658 -171.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 134' ' ' ARG . . . . . 0.487 ' HD3' ' C ' ' B' ' 133' ' ' LYS . 0.5 OUTLIER -120.01 88.39 2.93 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 169.755 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 135' ' ' GLN . . . . . 0.503 ' NE2' ' HG3' ' B' ' 133' ' ' LYS . 29.6 pt20 -130.41 164.8 23.95 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.649 -171.577 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -103.48 53.05 0.76 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.912 0.863 . . . . 0.0 108.949 174.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 137' ' ' LYS . . . . . 0.455 ' HD3' ' O ' ' B' ' 138' ' ' LEU . 12.6 tmtt? -148.43 149.22 31.33 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.642 -172.594 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 138' ' ' LEU . . . . . 0.455 ' O ' ' HD3' ' B' ' 137' ' ' LYS . 58.2 mt -45.56 124.07 4.73 Favored 'General case' 0 N--CA 1.467 0.391 0 O-C-N 124.065 0.853 . . . . 0.0 112.23 -177.571 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . -68.61 -167.31 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.479 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 14.8 m -50.23 101.14 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.209 0 CA-C-O 121.154 0.502 . . . . 0.0 111.446 -179.083 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 141' ' ' SER . . . . . . . . . . . . . 20.5 m . . . . . 0 C--O 1.248 0.981 0 CA-C-O 118.324 -0.846 . . . . 0.0 109.969 179.773 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . 0.451 ' H3 ' ' HD2' ' B' ' 2' ' ' PRO . 3.8 m-20 . . . . . 0 N--CA 1.483 1.188 0 CA-C-O 119.575 -0.25 . . . . 0.0 111.33 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . 0.451 ' HD2' ' H3 ' ' B' ' 1' ' ' ASP . 98.0 Cg_endo -83.3 0.66 9.42 Favored 'Trans proline' 0 C--N 1.353 0.81 0 C-N-CA 121.145 1.23 . . . . 0.0 111.744 175.431 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 3.9 p -79.92 36.77 0.35 Allowed 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.83 -175.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . 0.406 ' H ' ' C ' ' B' ' 2' ' ' PRO . 17.8 mtm180 -89.2 -161.83 0.81 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.133 -0.939 . . . . 0.0 108.866 175.12 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -40.53 124.01 1.92 Allowed 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.702 0.287 . . . . 0.0 110.64 171.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.14 135.46 94.94 Favored Pre-proline 0 N--CA 1.452 -0.364 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.537 -177.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -62.17 160.93 28.46 Favored 'Trans proline' 0 N--CA 1.461 -0.405 0 C-N-CA 123.042 2.495 . . . . 0.0 112.344 175.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 1.6 p -87.42 139.11 30.88 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.207 -0.452 . . . . 0.0 109.789 173.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' TRP . . . . . 0.562 ' CE3' ' HG2' ' B' ' 13' ' ' GLU . 81.6 m95 -64.35 118.37 8.6 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.402 0.62 . . . . 0.0 111.936 -175.478 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 12.2 m -79.18 156.37 76.55 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.773 176.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -50.77 -47.01 27.11 Favored 'Trans proline' 0 CA--C 1.531 0.364 0 C-N-CA 122.694 2.263 . . . . 0.0 112.663 178.03 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -67.12 -29.29 68.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.941 0.4 . . . . 0.0 110.567 178.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.562 ' HG2' ' CE3' ' B' ' 9' ' ' TRP . 22.9 tt0 -72.88 -40.37 65.65 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.354 -174.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -71.82 -32.19 67.32 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 120.829 0.347 . . . . 0.0 110.727 175.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.4 -45.14 73.47 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.831 0.348 . . . . 0.0 110.14 175.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.437 ' HA ' ' HB3' ' B' ' 19' ' ' GLU . 21.8 t-160 -60.56 -27.08 67.41 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 123.351 0.66 . . . . 0.0 110.426 173.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.42 HD12 ' CG1' ' B' ' 50' ' ' ILE . 15.5 tp -67.9 -46.04 72.72 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 -179.683 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . 0.726 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 33.6 ptt180 -78.06 -29.42 49.25 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 176.194 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . 0.437 ' HB3' ' HA ' ' B' ' 16' ' ' HIS . 15.7 tp10 -50.57 -52.36 39.68 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.746 0.784 . . . . 0.0 110.155 177.398 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.96 -32.26 69.07 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.751 -1.113 . . . . 0.0 111.164 -179.013 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -70.18 -50.8 36.53 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.218 -177.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.726 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 63.1 mt -58.18 -30.28 66.3 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.693 -177.683 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.36 -47.07 36.48 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.695 -0.684 . . . . 0.0 112.183 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 46.8 m-80 -108.04 16.05 23.75 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -172.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 14.6 ptmm? -75.46 -20.46 58.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.79 0.329 . . . . 0.0 111.321 -178.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -101.19 10.04 41.26 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.145 0.497 . . . . 0.0 110.751 -176.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 41.8 t -92.67 107.91 19.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.858 179.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -92.86 150.13 20.81 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.169 -178.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.71 21.21 60.14 Favored Glycine 0 N--CA 1.449 -0.446 0 N-CA-C 110.18 -1.168 . . . . 0.0 110.18 -172.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -142.81 151.02 40.73 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 114.795 -0.703 . . . . 0.0 110.217 -174.559 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . 0.452 ' HB2' ' HB3' ' B' ' 34' ' ' GLU . 9.8 m-20 -88.98 102.61 15.25 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 173.655 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . 0.613 ' O ' HG12 ' B' ' 36' ' ' ILE . 9.8 p -58.67 -43.85 88.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.803 -176.022 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . 0.819 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 13.5 p -68.38 -35.43 70.75 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.594 0 C-N-CA 121.094 -0.242 . . . . 0.0 110.462 -176.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.452 ' HB3' ' HB2' ' B' ' 31' ' ' ASP . 35.0 tt0 -58.79 -46.11 88.32 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 175.249 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.75 -36.9 70.31 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.697 176.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.613 HG12 ' O ' ' B' ' 32' ' ' VAL . 7.0 mm -71.6 -63.69 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.037 179.691 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.819 ' HG ' ' O ' ' B' ' 33' ' ' VAL . 6.0 mt -48.37 -42.18 30.97 Favored 'General case' 0 N--CA 1.477 0.878 0 O-C-N 124.001 0.813 . . . . 0.0 111.902 -174.338 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.59 -25.16 22.62 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 -168.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 44.8 m-70 -86.09 -29.9 23.0 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 119.997 -0.681 . . . . 0.0 111.399 -176.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.443 ' C ' ' H ' ' B' ' 42' ' ' THR . 0.5 OUTLIER -99.12 84.07 2.98 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.754 0.787 . . . . 0.0 111.032 175.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 -81.35 38.36 0.48 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.517 0.675 . . . . 0.0 110.473 -177.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' THR . . . . . 0.443 ' H ' ' C ' ' B' ' 40' ' ' LEU . 4.9 t -91.93 -22.67 19.91 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.263 -0.881 . . . . 0.0 109.477 176.621 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 2.3 m -121.81 115.19 30.82 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.5 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo -71.23 88.16 0.72 Allowed 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 121.943 1.762 . . . . 0.0 109.561 167.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 23.4 mtt85 -140.8 176.37 8.85 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.372 0.606 . . . . 0.0 112.381 -170.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 72.9 p -105.19 -172.45 2.1 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.831 -1.077 . . . . 0.0 110.562 -178.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . 0.506 ' O ' HG13 ' B' ' 51' ' ' ILE . 3.9 mmt180 -71.19 -50.78 29.57 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.0 0.428 . . . . 0.0 109.916 -175.315 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.488 ' HE2' ' OE1' ' B' ' 49' ' ' GLN . 21.2 ttpt -53.99 -36.42 62.91 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 115.224 -0.898 . . . . 0.0 112.264 -174.746 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.488 ' OE1' ' HE2' ' B' ' 48' ' ' LYS . 0.2 OUTLIER -55.83 -60.94 2.75 Favored 'General case' 0 C--O 1.239 0.532 0 CA-C-O 121.443 0.64 . . . . 0.0 111.381 -179.736 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . 0.444 ' HB ' ' CD2' ' B' ' 37' ' ' LEU . 1.9 mp -61.51 -42.48 94.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.885 -177.676 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . 0.506 HG13 ' O ' ' B' ' 47' ' ' ARG . 79.5 mt -52.98 -47.2 54.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.793 179.465 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -54.79 -51.38 65.96 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-N 115.267 -0.879 . . . . 0.0 112.199 -176.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' HIS . . . . . 0.418 ' HB2' ' CD2' ' B' ' 17' ' ' LEU . 96.7 m-70 -62.57 -35.17 78.65 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 120.595 -0.442 . . . . 0.0 111.801 -176.582 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 91.8 mt -69.35 -48.28 61.8 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.789 0.328 . . . . 0.0 110.928 -176.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 21.8 m -72.28 -21.97 20.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.064 0.459 . . . . 0.0 110.593 179.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -78.0 -28.96 49.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.234 177.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 67.1 mtm -83.84 0.95 45.44 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.995 -0.282 . . . . 0.0 111.304 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 75.06 5.31 75.5 Favored Glycine 0 CA--C 1.511 -0.162 0 C-N-CA 120.977 -0.63 . . . . 0.0 112.645 175.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 4.1 pp -88.32 -13.55 40.47 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.489 0.662 . . . . 0.0 109.584 178.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -129.26 157.73 41.03 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.045 -0.979 . . . . 0.0 109.562 173.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -78.33 -66.6 0.83 Allowed 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -175.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 24.8 m -149.51 164.27 35.51 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.757 0.313 . . . . 0.0 111.246 -172.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 46.3 t -66.34 -32.06 56.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.997 -179.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . 0.541 ' HB3' ' HZ3' ' B' ' 64' ' ' LYS . 9.6 mtpm? -55.89 -30.08 60.99 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.737 -0.665 . . . . 0.0 112.431 -178.561 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -73.77 -18.47 60.97 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.111 0.481 . . . . 0.0 110.52 -176.179 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' PHE . . . . . 0.434 ' CG ' HG23 ' B' ' 51' ' ' ILE . 0.2 OUTLIER -104.56 -48.73 3.72 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.175 -179.479 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' GLN . . . . . 0.42 ' O ' ' HA ' ' B' ' 64' ' ' LYS . 78.8 mm-40 -152.01 -177.47 6.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.228 -173.309 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -128.92 101.81 6.24 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.544 0.688 . . . . 0.0 110.355 -179.305 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 15.5 tppt? -144.64 -63.05 0.36 Allowed 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 175.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -80.28 138.54 19.97 Favored Glycine 0 N--CA 1.443 -0.861 0 N-CA-C 110.07 -1.212 . . . . 0.0 110.07 170.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' THR . . . . . 0.424 ' C ' ' H ' ' B' ' 73' ' ' ILE . 1.4 p -88.37 -179.46 6.11 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 121.532 0.682 . . . . 0.0 112.195 -176.049 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -80.82 17.96 1.08 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.885 -1.052 . . . . 0.0 109.687 172.745 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . 0.479 ' CD1' ' HE2' ' B' ' 117' ' ' LYS . 6.0 mm -78.42 111.71 15.58 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.843 0 CA-C-O 122.772 1.272 . . . . 0.0 112.939 -167.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . 0.454 ' O ' ' HD1' ' B' ' 76' ' ' TRP . 0.2 OUTLIER -53.69 143.74 5.35 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 CA-C-N 112.049 -2.342 . . . . 0.0 109.394 167.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.93 102.7 0.06 Allowed 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.398 0.618 . . . . 0.0 111.434 -178.659 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' TRP . . . . . 0.517 ' CH2' HD22 ' B' ' 84' ' ' LEU . 20.7 m95 -90.33 113.13 24.93 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.264 177.792 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 24.9 p -124.53 175.11 7.37 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.562 178.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -53.98 -47.56 65.84 Favored Glycine 0 C--O 1.229 -0.205 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.465 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . 0.484 ' O ' ' HG3' ' B' ' 83' ' ' GLU . 8.8 m-20 -59.86 -56.56 20.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.812 0.339 . . . . 0.0 110.659 177.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' GLN . . . . . 0.447 ' NE2' ' HA ' ' B' ' 76' ' ' TRP . 0.1 OUTLIER -58.72 -40.64 84.29 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.022 -175.696 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -65.08 -48.69 72.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.374 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -63.79 -42.5 97.72 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.976 -179.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . 0.484 ' HG3' ' O ' ' B' ' 79' ' ' ASP . 63.8 mt-10 -61.31 -44.63 96.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.696 0.284 . . . . 0.0 111.211 -179.397 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . 0.517 HD22 ' CH2' ' B' ' 76' ' ' TRP . 15.5 tp -72.45 -36.26 68.48 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.934 -0.306 . . . . 0.0 110.555 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -55.13 -61.55 2.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.229 178.319 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 86' ' ' ARG . . . . . 0.45 ' O ' ' HG2' ' B' ' 90' ' ' GLU . 55.6 mtp180 -60.5 -42.73 96.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.591 -175.179 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . 0.433 ' HG ' ' CE2' ' B' ' 91' ' ' PHE . 4.5 mp -60.6 -46.01 91.87 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.721 -179.212 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.654 ' O ' ' HB2' ' B' ' 92' ' ' ARG . 1.6 t80 -56.26 -35.75 67.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.791 178.69 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -76.99 -42.04 40.39 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 179.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . 0.45 ' HG2' ' O ' ' B' ' 86' ' ' ARG . 11.6 pt-20 -89.79 -25.33 21.15 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -167.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 91' ' ' PHE . . . . . 0.433 ' CE2' ' HG ' ' B' ' 87' ' ' LEU . 78.5 m-85 -95.33 12.74 28.07 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.599 0.714 . . . . 0.0 109.933 175.735 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 92' ' ' ARG . . . . . 0.654 ' HB2' ' O ' ' B' ' 88' ' ' PHE . 51.1 ttt180 -81.11 -12.09 59.34 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.243 -0.889 . . . . 0.0 111.625 -173.676 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -86.46 5.56 34.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.806 0.336 . . . . 0.0 111.066 -179.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 61.9 p -104.78 172.04 7.0 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 175.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 95' ' ' ASP . . . . . 0.498 ' HA ' ' HB3' ' B' ' 132' ' ' LYS . 28.9 m-20 -66.15 -27.58 68.13 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 -171.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -144.51 105.03 4.13 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.994 0.426 . . . . 0.0 110.499 179.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 97' ' ' VAL . . . . . 0.487 HG21 ' O ' ' B' ' 130' ' ' LEU . 2.6 t -62.08 -54.56 32.77 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.362 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.636 -175.296 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . 0.491 ' HB2' ' CZ ' ' B' ' 111' ' ' ARG . 4.5 mp -63.22 -25.9 68.55 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.088 -0.96 . . . . 0.0 111.673 -170.633 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 99' ' ' GLY . . . . . 0.552 ' O ' ' HD3' ' B' ' 103' ' ' LYS . . . -66.87 -46.19 76.59 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.887 -0.673 . . . . 0.0 111.874 177.571 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 73.5 m-70 -74.37 -28.58 61.17 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 178.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 101' ' ' ILE . . . . . 0.448 ' HB ' ' HA ' ' B' ' 98' ' ' LEU . 29.8 mt -57.37 -56.4 15.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.375 -0.829 . . . . 0.0 110.499 173.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 102' ' ' MET . . . . . 0.635 ' HE3' ' O ' ' B' ' 109' ' ' ARG . 60.4 mtt -60.43 -36.92 79.32 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.808 -177.661 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 103' ' ' LYS . . . . . 0.552 ' HD3' ' O ' ' B' ' 99' ' ' GLY . 5.3 mptp? -77.06 -18.73 57.86 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.667 -177.045 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 104' ' ' ASN . . . . . 0.424 HD21 HD22 ' B' ' 87' ' ' LEU . 6.2 t30 -101.88 -27.17 13.14 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.914 -0.314 . . . . 0.0 111.612 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 105' ' ' ILE . . . . . 0.502 HG12 ' NH2' ' B' ' 109' ' ' ARG . 5.7 tp -90.36 149.01 4.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 121.7 0.762 . . . . 0.0 111.855 -170.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 106' ' ' THR . . . . . 0.426 ' N ' HG13 ' B' ' 105' ' ' ILE . 1.7 t -72.78 -28.15 62.43 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 114.861 -1.063 . . . . 0.0 111.227 -178.162 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -90.82 128.07 36.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.777 0.322 . . . . 0.0 110.92 -178.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 108' ' ' LYS . . . . . 0.401 ' HA ' ' HE3' ' B' ' 108' ' ' LYS . 0.0 OUTLIER -89.58 102.35 15.03 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.748 0.785 . . . . 0.0 109.631 176.511 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 109' ' ' ARG . . . . . 0.635 ' O ' ' HE3' ' B' ' 102' ' ' MET . 31.9 mtm180 -117.7 145.85 44.13 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.721 -1.127 . . . . 0.0 109.375 -177.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 37.6 t -84.91 160.91 20.03 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 179.294 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 111' ' ' ARG . . . . . 0.491 ' CZ ' ' HB2' ' B' ' 98' ' ' LEU . 10.6 mmt180 -55.96 -41.82 75.3 Favored 'General case' 0 C--N 1.33 -0.271 0 O-C-N 123.299 0.374 . . . . 0.0 110.433 179.659 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -58.87 -37.35 76.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.412 -179.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 62.4 mtt180 -74.11 -39.96 63.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.813 0.34 . . . . 0.0 110.667 -178.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 114' ' ' ILE . . . . . 0.416 HG23 HD21 ' B' ' 84' ' ' LEU . 84.5 mt -74.11 -51.69 22.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.57 -173.741 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 115' ' ' VAL . . . . . 0.576 ' O ' HD23 ' B' ' 119' ' ' LEU . 20.1 m -63.24 -36.34 75.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-O 120.704 0.287 . . . . 0.0 110.6 -176.488 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -58.63 -42.14 87.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.51 0.672 . . . . 0.0 110.592 176.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . 0.514 ' O ' HD11 ' B' ' 121' ' ' LEU . 6.6 mmtm -79.68 -30.25 41.04 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.889 -175.118 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 6.5 mt -62.59 -41.81 99.18 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.388 -0.525 . . . . 0.0 110.782 176.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 119' ' ' LEU . . . . . 0.576 HD23 ' O ' ' B' ' 115' ' ' VAL . 4.6 mm? -68.69 -26.53 65.34 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.587 178.365 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -83.77 -44.97 13.85 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.129 -177.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 121' ' ' LEU . . . . . 0.514 HD11 ' O ' ' B' ' 117' ' ' LYS . 10.0 mp -64.69 -24.98 67.75 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 121.102 0.477 . . . . 0.0 110.723 176.022 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 78.13 33.14 41.48 Favored Glycine 0 N--CA 1.442 -0.915 0 C-N-CA 120.735 -0.745 . . . . 0.0 111.306 -173.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 40.8 mt -82.96 -17.75 42.42 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-O 121.638 0.732 . . . . 0.0 109.058 177.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 124' ' ' VAL . . . . . 0.446 HG11 ' CD2' ' B' ' 130' ' ' LEU . 2.5 p -148.54 179.15 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.436 -1.165 0 CA-C-N 114.964 -1.016 . . . . 0.0 109.824 175.539 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -117.93 -7.23 10.93 Favored 'General case' 0 C--N 1.303 -1.418 0 CA-C-N 114.542 -1.208 . . . . 0.0 110.706 -179.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 126' ' ' GLU . . . . . 0.472 ' HG3' ' HG2' ' B' ' 129' ' ' GLU . 5.6 pt-20 -172.94 147.9 1.71 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.964 -168.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 127' ' ' ARG . . . . . 0.725 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 71.6 mtm-85 -69.92 -30.14 67.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.715 0.293 . . . . 0.0 111.627 -175.536 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 128' ' ' ARG . . . . . 0.518 ' HB3' ' O ' ' B' ' 141' ' ' SER . 9.6 ptt-85 -65.07 -6.94 10.07 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -178.317 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 129' ' ' GLU . . . . . 0.543 ' HB3' ' NH2' ' B' ' 92' ' ' ARG . 7.4 mm-40 -90.37 -23.74 21.01 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.077 0.465 . . . . 0.0 111.12 177.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 130' ' ' LEU . . . . . 0.725 ' HG ' ' O ' ' B' ' 127' ' ' ARG . 0.0 OUTLIER -96.19 10.92 36.24 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.575 176.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 131' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -131.33 111.65 12.05 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.12 -0.945 . . . . 0.0 108.918 172.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . 0.498 ' HB3' ' HA ' ' B' ' 95' ' ' ASP . 52.0 tttm -66.75 96.38 0.4 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.453 0.644 . . . . 0.0 109.417 177.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 36.9 tptt -130.49 157.13 43.5 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.107 -170.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 134' ' ' ARG . . . . . . . . . . . . . 18.8 mmt180 -96.32 91.97 6.12 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.015 0.436 . . . . 0.0 109.849 176.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -75.82 142.44 42.24 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.312 -178.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 28.2 mmtt -87.29 -145.38 0.13 Allowed 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 179.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 137' ' ' LYS . . . . . 0.506 ' HD3' ' N ' ' B' ' 138' ' ' LEU . 4.0 tmtm? -56.44 145.11 28.58 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 106.96 -1.496 . . . . 0.0 106.96 164.01 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 138' ' ' LEU . . . . . 0.506 ' N ' ' HD3' ' B' ' 137' ' ' LYS . 55.3 tp -44.66 104.39 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.411 0.624 . . . . 0.0 112.489 -170.286 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . -124.28 171.91 9.5 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.885 -1.052 . . . . 0.0 109.418 179.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 55.4 p -84.94 82.16 8.57 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 120.246 -0.582 . . . . 0.0 110.199 177.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 141' ' ' SER . . . . . 0.518 ' O ' ' HB3' ' B' ' 128' ' ' ARG . 22.7 t . . . . . 0 C--O 1.254 1.324 0 CA-C-O 117.972 -1.014 . . . . 0.0 109.063 173.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 2.1 p30 . . . . . 0 N--CA 1.477 0.912 0 N-CA-C 110.366 -0.235 . . . . 0.0 110.366 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -66.89 -41.86 9.54 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.408 2.072 . . . . 0.0 111.944 178.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 34.3 t -136.56 -54.23 0.73 Allowed 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 177.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -148.07 163.53 36.64 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 170.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 6.3 ppt_? -64.72 157.77 26.48 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.976 -0.29 . . . . 0.0 110.599 -179.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . 0.488 ' HA ' ' O ' ' B' ' 44' ' ' PRO . . . -78.94 125.35 84.09 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-O 121.027 0.442 . . . . 0.0 111.952 -174.197 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -71.52 -176.31 1.93 Allowed 'Trans proline' 0 C--O 1.237 0.435 0 C-N-CA 123.56 2.84 . . . . 0.0 111.637 167.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 7.4 m -91.04 131.19 36.78 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 174.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 32.3 m95 -68.53 144.93 54.43 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.731 0.301 . . . . 0.0 110.998 -178.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 18.1 m -86.75 151.75 53.02 Favored Pre-proline 0 C--N 1.322 -0.598 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 175.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -49.73 -48.01 20.88 Favored 'Trans proline' 0 N--CA 1.477 0.533 0 C-N-CA 122.866 2.378 . . . . 0.0 112.813 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -64.86 -34.35 78.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.634 0.731 . . . . 0.0 110.594 178.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -72.44 -37.28 68.61 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.986 -1.006 . . . . 0.0 110.397 -176.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -70.14 -27.93 64.95 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.135 0.493 . . . . 0.0 110.156 175.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . 0.438 ' O ' ' HB2' ' B' ' 19' ' ' GLU . . . -68.69 -27.36 65.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.01 174.348 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.533 ' HA ' ' CB ' ' B' ' 19' ' ' GLU . 23.1 t-160 -83.36 -26.57 30.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.452 -0.794 . . . . 0.0 109.698 176.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -63.9 -51.03 66.39 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 175.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . 0.733 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 15.0 ptm180 -70.67 -32.34 69.57 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.994 174.349 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . 0.533 ' CB ' ' HA ' ' B' ' 16' ' ' HIS . 13.5 tp10 -49.01 -57.06 7.14 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 121.411 0.624 . . . . 0.0 110.702 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 3.2 mt -60.98 -38.14 84.93 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.026 -0.988 . . . . 0.0 111.433 -179.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -70.37 -42.14 72.17 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.955 0.407 . . . . 0.0 111.028 -176.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.733 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 58.1 mt -69.91 -20.02 63.38 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.944 -177.072 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -89.2 -45.13 9.78 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.419 178.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -82.12 -10.72 59.09 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -173.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -67.08 -21.32 65.89 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 121.012 0.434 . . . . 0.0 110.369 175.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -89.71 -8.39 52.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.411 -178.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 42.1 t -92.42 125.95 44.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.862 -177.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -95.97 132.99 40.71 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.837 -175.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.42 -33.8 4.94 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.962 -0.637 . . . . 0.0 112.255 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . 0.503 ' OE1' ' HB2' ' B' ' 35' ' ' ALA . 1.0 OUTLIER -79.02 125.22 29.1 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 178.91 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -61.94 110.63 1.62 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.365 -178.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . 0.668 ' O ' HG12 ' B' ' 36' ' ' ILE . 2.0 p -62.47 -40.08 86.77 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.363 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.846 -173.266 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . 0.701 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 0.8 OUTLIER -67.48 -40.13 83.86 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.561 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 -174.891 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.432 ' HA ' HD11 ' B' ' 37' ' ' LEU . 3.2 tm-20 -67.56 -40.14 84.93 Favored 'General case' 0 N--CA 1.441 -0.895 0 CA-C-N 115.283 -0.871 . . . . 0.0 109.442 -179.181 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . 0.503 ' HB2' ' OE1' ' B' ' 30' ' ' GLN . . . -55.84 -42.85 76.4 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.16 0.505 . . . . 0.0 110.868 179.476 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.668 HG12 ' O ' ' B' ' 32' ' ' VAL . 4.8 mm -69.36 -57.59 8.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.03 -176.605 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.701 ' HG ' ' O ' ' B' ' 33' ' ' VAL . 2.9 pp -64.83 -18.96 65.59 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.641 -0.709 . . . . 0.0 112.117 -176.184 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -79.77 -52.64 7.68 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 -177.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' HIS . . . . . 0.457 ' HD2' ' O ' ' B' ' 35' ' ' ALA . 90.1 m-70 -83.09 -24.14 32.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.814 0.34 . . . . 0.0 111.772 -168.019 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.545 ' HB2' ' NH2' ' B' ' 45' ' ' ARG . 16.0 mt -76.46 83.08 3.17 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.014 0.435 . . . . 0.0 111.653 -178.455 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 39.5 m-80 -104.93 38.49 1.91 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.637 0.732 . . . . 0.0 109.091 171.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 8.3 t -96.94 -19.06 19.07 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.409 -1.269 . . . . 0.0 109.416 176.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . 0.425 ' O ' ' HD3' ' B' ' 45' ' ' ARG . 7.3 p -149.88 124.32 4.66 Favored Pre-proline 0 N--CA 1.447 -0.625 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.05 -175.415 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . 0.488 ' O ' ' HA ' ' B' ' 6' ' ' ALA . 57.1 Cg_endo -75.73 120.39 5.82 Favored 'Trans proline' 0 N--CA 1.46 -0.462 0 C-N-CA 122.237 1.958 . . . . 0.0 112.007 177.563 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.545 ' NH2' ' HB2' ' B' ' 40' ' ' LEU . 0.0 OUTLIER -156.6 167.88 29.1 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 179.138 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 6.0 t -76.84 153.68 34.6 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 172.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . 0.493 ' CG ' HD22 ' B' ' 37' ' ' LEU . 0.1 OUTLIER -60.69 -25.03 66.09 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.309 0.576 . . . . 0.0 110.818 -178.407 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -55.37 -39.52 70.19 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.154 -0.93 . . . . 0.0 111.323 177.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -65.65 -33.83 76.81 Favored 'General case' 0 C--O 1.222 -0.352 0 CA-C-N 116.684 -0.234 . . . . 0.0 111.444 -175.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . 0.498 HD13 ' CZ ' ' B' ' 45' ' ' ARG . 2.9 mp -61.19 -59.1 4.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 120.957 0.408 . . . . 0.0 110.032 178.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . 0.474 HG13 ' CD2' ' B' ' 66' ' ' PHE . 2.1 mp -54.74 -42.79 63.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.093 -0.958 . . . . 0.0 110.417 177.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' HIS . . . . . 0.565 ' HB3' ' NE2' ' B' ' 56' ' ' GLN . 2.7 m-70 -66.37 -53.67 33.31 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.265 -0.879 . . . . 0.0 112.06 -177.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -59.73 -33.6 71.84 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 111.762 0.282 . . . . 0.0 111.762 -175.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . 0.487 ' CD2' HD13 ' B' ' 59' ' ' LEU . 76.3 mt -65.25 -49.37 69.87 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.073 -179.003 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 11.7 m -76.77 -24.43 15.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.173 0.511 . . . . 0.0 110.452 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' GLN . . . . . 0.565 ' NE2' ' HB3' ' B' ' 52' ' ' HIS . 40.1 mt-30 -66.68 -33.4 75.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.361 177.624 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 73.6 mtm -91.64 11.05 25.67 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.889 0.376 . . . . 0.0 111.2 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 67.86 8.32 52.62 Favored Glycine 0 C--N 1.331 0.293 0 CA-C-N 115.741 -0.663 . . . . 0.0 113.273 173.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . 0.487 HD13 ' CD2' ' B' ' 54' ' ' LEU . 4.5 pp -90.25 -18.71 25.16 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.527 0.68 . . . . 0.0 109.966 -178.704 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -110.33 161.02 16.04 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.43 172.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -72.13 -68.37 0.47 Allowed 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.792 178.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 58.8 m -164.72 176.17 9.05 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.2 0.524 . . . . 0.0 111.951 -175.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 3.6 t -61.03 -24.69 33.81 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 CA-C-N 114.976 -1.011 . . . . 0.0 110.717 176.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . 0.491 ' HA ' ' O ' ' B' ' 68' ' ' ARG . 53.2 mtmt -61.64 -30.92 71.02 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.117 -0.947 . . . . 0.0 112.086 -177.004 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -82.17 -19.13 40.51 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.275 0.559 . . . . 0.0 110.943 -178.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' PHE . . . . . 0.474 ' CD2' HG13 ' B' ' 51' ' ' ILE . 44.9 m-85 -101.66 -46.71 4.86 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -172.486 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -139.79 -50.15 0.49 Allowed 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 -170.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' ARG . . . . . 0.491 ' O ' ' HA ' ' B' ' 64' ' ' LYS . 27.9 ttm180 -85.81 137.48 32.75 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.877 -169.728 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -52.37 127.61 22.84 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 171.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -36.81 116.84 0.38 Allowed Glycine 0 N--CA 1.448 -0.526 0 O-C-N 124.345 1.028 . . . . 0.0 112.237 174.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' THR . . . . . 0.433 ' H ' ' CD ' ' B' ' 64' ' ' LYS . 25.1 p -52.7 129.82 30.73 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.951 -0.625 . . . . 0.0 112.408 -170.635 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -72.45 -10.99 60.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.566 178.583 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -14.74 130.28 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 N-CA-C 115.989 1.848 . . . . 0.0 115.989 -162.217 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . 0.493 ' O ' ' HD1' ' B' ' 76' ' ' TRP . 3.9 m -53.95 151.29 1.47 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.669 0 CA-C-N 112.723 -2.035 . . . . 0.0 109.847 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . 0.541 ' O ' HD13 ' B' ' 75' ' ' LEU . 0.6 OUTLIER -50.13 90.98 0.0 OUTLIER 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 121.684 0.754 . . . . 0.0 113.023 -178.528 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' TRP . . . . . 0.669 ' CH2' HD22 ' B' ' 84' ' ' LEU . 17.8 m95 -88.45 109.27 19.89 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 171.455 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 69.6 p -101.12 160.26 14.54 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.782 176.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -54.01 -38.51 60.75 Favored Glycine 0 CA--C 1.519 0.283 0 C-N-CA 121.283 -0.484 . . . . 0.0 113.438 -177.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -74.76 -42.63 57.83 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.741 0.27 . . . . 0.0 111.589 -176.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -80.56 -25.39 38.61 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.671 -0.412 . . . . 0.0 110.354 -177.133 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -67.1 -44.48 79.89 Favored 'General case' 0 CA--C 1.52 -0.195 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 175.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 17.5 tp -63.59 -40.13 96.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.176 175.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . 0.412 ' O ' ' HB2' ' B' ' 87' ' ' LEU . 11.3 tp10 -56.14 -49.13 74.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.289 178.152 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . 0.669 HD22 ' CH2' ' B' ' 76' ' ' TRP . 26.0 tp -73.15 -31.29 64.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.784 179.746 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -56.07 -59.67 4.58 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 175.288 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 47.6 mtp180 -56.89 -44.63 82.48 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.914 177.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . 0.441 HD13 HD21 ' B' ' 104' ' ' ASN . 4.6 tp -58.02 -50.18 74.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.117 -175.728 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -57.29 -46.89 82.69 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.283 179.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -65.45 -33.37 75.78 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.259 -178.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -84.2 -26.14 28.97 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.258 -172.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -107.77 -1.68 20.71 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.419 0.526 . . . . 0.0 112.419 -177.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 92' ' ' ARG . . . . . 0.428 ' HA ' ' HB ' ' B' ' 97' ' ' VAL . 25.8 ptt180 -72.76 -9.25 58.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.486 0.66 . . . . 0.0 109.711 175.568 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -58.95 -18.71 36.22 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.793 171.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 24.1 t -103.62 179.63 4.22 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 178.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 95' ' ' ASP . . . . . 0.524 ' O ' ' HA ' ' B' ' 132' ' ' LYS . 16.4 m-20 -71.89 -50.57 28.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.022 0.439 . . . . 0.0 110.63 -177.49 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -112.32 103.61 11.75 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.942 -178.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 97' ' ' VAL . . . . . 0.441 ' O ' HG13 ' B' ' 101' ' ' ILE . 10.3 p -76.98 -34.59 22.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.624 -176.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . 0.45 ' HA ' ' HB ' ' B' ' 101' ' ' ILE . 4.1 mp -72.03 -32.35 67.05 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.335 0.494 . . . . 0.0 112.335 -172.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -59.49 -40.26 96.0 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.587 -0.816 . . . . 0.0 111.614 174.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 83.6 m-70 -77.72 -30.25 51.61 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 178.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 101' ' ' ILE . . . . . 0.461 ' O ' HG21 ' B' ' 105' ' ' ILE . 42.3 mt -56.55 -59.57 2.82 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.303 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.994 173.522 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 102' ' ' MET . . . . . 0.533 ' HE2' ' O ' ' B' ' 109' ' ' ARG . 21.4 mmt -53.62 -37.75 63.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.077 -0.51 . . . . 0.0 112.092 -177.496 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -87.17 -11.49 49.78 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.16 -0.473 . . . . 0.0 112.271 -174.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 104' ' ' ASN . . . . . 0.441 HD21 HD13 ' B' ' 87' ' ' LEU . 52.7 t30 -115.81 -15.98 11.23 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.385 -0.526 . . . . 0.0 112.2 -178.511 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 105' ' ' ILE . . . . . 0.461 HG21 ' O ' ' B' ' 101' ' ' ILE . 11.1 tp -91.91 156.98 2.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.427 0.632 . . . . 0.0 111.225 -177.615 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 106' ' ' THR . . . . . 0.458 ' N ' HG13 ' B' ' 105' ' ' ILE . 14.7 t -78.91 -43.78 24.07 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.276 -0.875 . . . . 0.0 111.416 -178.564 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . 0.418 ' N ' HG21 ' B' ' 106' ' ' THR . . . -85.26 126.81 33.99 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-O 120.615 0.245 . . . . 0.0 110.415 -178.02 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 9.0 mptt -91.84 102.72 15.32 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.506 0.669 . . . . 0.0 110.314 179.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 109' ' ' ARG . . . . . 0.533 ' O ' ' HE2' ' B' ' 102' ' ' MET . 12.7 mtm180 -104.13 -178.09 3.56 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.913 -1.04 . . . . 0.0 110.696 -178.011 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 110' ' ' SER . . . . . 0.472 ' O ' HG13 ' B' ' 114' ' ' ILE . 18.5 m -100.28 148.24 24.88 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.462 167.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 61.7 mtp180 -65.06 -36.68 85.11 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -172.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -58.77 -38.57 78.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.044 0.45 . . . . 0.0 111.899 -177.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . 0.478 ' O ' ' HB2' ' B' ' 117' ' ' LYS . 1.8 ptp180 -87.11 -19.25 28.8 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.559 -178.407 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 114' ' ' ILE . . . . . 0.472 HG13 ' O ' ' B' ' 110' ' ' SER . 77.5 mt -69.91 -50.99 44.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 175.117 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 115' ' ' VAL . . . . . . . . . . . . . 27.0 m -61.63 -37.96 79.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.97 -178.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -74.24 -32.21 62.89 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.202 -177.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . 0.478 ' HB2' ' O ' ' B' ' 113' ' ' ARG . 6.2 tmtt? -72.09 -27.65 62.79 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.386 178.669 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . 0.404 HD22 HD12 ' B' ' 123' ' ' LEU . 19.7 mt -57.76 -46.52 84.41 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 121.086 0.469 . . . . 0.0 110.02 173.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -56.55 -36.26 69.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.484 178.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -73.39 -37.13 66.09 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.381 -178.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 10.9 mp -71.48 -25.41 62.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.031 0.443 . . . . 0.0 110.922 175.061 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 80.44 29.31 44.9 Favored Glycine 0 N--CA 1.442 -0.919 0 C-N-CA 120.649 -0.786 . . . . 0.0 111.275 -171.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . 0.404 HD12 HD22 ' B' ' 118' ' ' LEU . 43.8 mt -76.96 -21.41 54.81 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-O 121.607 0.718 . . . . 0.0 109.235 177.494 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 124' ' ' VAL . . . . . 0.43 HG22 ' CD2' ' B' ' 130' ' ' LEU . 12.2 m -147.9 177.64 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 114.59 -1.186 . . . . 0.0 109.605 176.111 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -117.73 -7.69 10.97 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.694 176.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -158.91 152.45 22.93 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 114.815 -1.084 . . . . 0.0 109.152 -175.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 127' ' ' ARG . . . . . 0.636 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 36.4 mtm-85 -74.9 -21.12 59.4 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.124 0.487 . . . . 0.0 110.496 177.813 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 128' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -51.22 -34.79 33.64 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 114.728 -1.124 . . . . 0.0 112.232 -179.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -73.48 -33.24 64.73 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -176.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 130' ' ' LEU . . . . . 0.636 ' HG ' ' O ' ' B' ' 127' ' ' ARG . 0.1 OUTLIER -91.62 20.45 5.44 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.341 0.591 . . . . 0.0 110.738 -176.627 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 131' ' ' TYR . . . . . 0.499 ' CE2' ' HB3' ' B' ' 127' ' ' ARG . 16.6 m-85 -122.23 134.37 54.7 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.173 -0.922 . . . . 0.0 109.022 178.669 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . 0.524 ' HA ' ' O ' ' B' ' 95' ' ' ASP . 44.5 pttt -32.09 -130.79 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 127.135 2.174 . . . . 0.0 116.365 -168.265 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 13.5 ptmm? -47.05 138.12 6.95 Favored 'General case' 0 C--O 1.236 0.348 0 O-C-N 121.333 -0.854 . . . . 0.0 112.157 -168.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 134' ' ' ARG . . . . . . . . . . . . . 22.2 mmt180 -77.86 82.45 4.24 Favored 'General case' 0 CA--C 1.509 -0.613 0 CA-C-N 114.194 -1.366 . . . . 0.0 110.89 -166.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.03 97.22 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 113.212 -1.813 . . . . 0.0 112.498 171.248 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 58.3 mtmt -96.19 53.25 1.33 Allowed 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 168.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 19.6 tptm -148.98 145.67 27.45 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 112.935 -1.939 . . . . 0.0 107.365 -174.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 90.6 mt -67.49 80.12 0.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.191 0.519 . . . . 0.0 111.0 179.07 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . -119.82 136.09 54.61 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.994 178.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 30.6 m -88.79 80.87 7.09 Favored 'General case' 0 N--CA 1.44 -0.944 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 175.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 141' ' ' SER . . . . . . . . . . . . . 65.9 m . . . . . 0 C--O 1.247 0.943 0 CA-C-O 118.594 -0.717 . . . . 0.0 109.804 172.609 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . 0.463 ' HB2' ' HD2' ' B' ' 2' ' ' PRO . 0.2 OUTLIER . . . . . 0 N--CA 1.48 1.047 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . 0.463 ' HD2' ' HB2' ' B' ' 1' ' ' ASP . 7.8 Cg_endo -50.33 -46.83 26.99 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 123.208 2.605 . . . . 0.0 114.278 -178.653 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 24.8 t -148.32 -54.4 0.2 Allowed 'General case' 0 C--O 1.234 0.282 0 N-CA-C 113.072 0.768 . . . . 0.0 113.072 -172.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . 0.459 ' O ' ' HA ' ' B' ' 45' ' ' ARG . 75.0 mtp85 -139.39 138.92 36.96 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 111.976 0.361 . . . . 0.0 111.976 -167.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -79.86 64.69 4.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.869 0.842 . . . . 0.0 109.518 170.793 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . 0.765 ' O ' ' HB3' ' B' ' 45' ' ' ARG . . . -111.07 142.0 25.4 Favored Pre-proline 0 C--N 1.32 -0.678 0 CA-C-N 114.955 -1.02 . . . . 0.0 112.818 -168.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -94.35 119.12 0.29 Allowed 'Trans proline' 0 N--CA 1.44 -1.618 0 C-N-CA 121.875 1.717 . . . . 0.0 113.137 162.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' THR . . . . . 0.537 ' OG1' HG23 ' B' ' 43' ' ' VAL . 36.6 p -134.68 93.5 3.05 Favored 'General case' 0 C--N 1.31 -1.147 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 162.796 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 59.3 m95 -133.83 128.08 33.96 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.534 -170.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 33.8 p -89.4 165.65 24.89 Favored Pre-proline 0 C--N 1.313 -0.98 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 173.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -51.36 -33.42 46.08 Favored 'Trans proline' 0 N--CA 1.462 -0.344 0 C-N-CA 122.138 1.892 . . . . 0.0 111.292 171.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -73.51 -37.47 65.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.212 177.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.449 ' CD ' HG21 ' B' ' 42' ' ' THR . 6.8 tp10 -68.12 -42.81 79.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.521 0.2 . . . . 0.0 111.332 -173.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -73.52 -25.05 60.24 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.264 -0.574 . . . . 0.0 110.476 177.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . 0.473 ' O ' ' HB2' ' B' ' 19' ' ' GLU . . . -71.12 -26.35 62.98 Favored 'General case' 0 C--O 1.225 -0.219 0 CA-C-O 121.454 0.645 . . . . 0.0 109.671 171.782 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.486 ' O ' ' HB3' ' B' ' 19' ' ' GLU . 11.4 t-160 -81.71 -28.76 33.28 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.737 -1.12 . . . . 0.0 110.147 176.562 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.517 ' CD2' ' HB2' ' B' ' 53' ' ' HIS . 21.9 tp -67.75 -45.66 74.31 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.701 176.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . 0.808 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 12.0 ptm180 -72.16 -33.39 67.68 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 175.341 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . 0.486 ' HB3' ' O ' ' B' ' 16' ' ' HIS . 8.3 tp10 -50.58 -50.78 52.84 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.156 177.681 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.426 ' HB3' HG12 ' B' ' 36' ' ' ILE . 0.4 OUTLIER -69.2 -33.17 72.94 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.675 -1.148 . . . . 0.0 111.445 -178.479 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -68.63 -50.58 50.31 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 121.421 0.629 . . . . 0.0 109.968 -178.024 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.808 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 16.3 mt -63.14 -26.48 68.83 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.915 -1.038 . . . . 0.0 111.21 -178.264 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.4 -30.32 37.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.045 -0.525 . . . . 0.0 112.373 -175.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 45.5 m-80 -119.99 22.65 11.39 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -173.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -85.37 -13.66 48.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.954 0.407 . . . . 0.0 111.156 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -98.84 23.91 8.28 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.907 0.86 . . . . 0.0 110.431 -177.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 21.8 t -113.36 108.01 24.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.586 -176.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -88.29 143.36 27.07 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.223 -176.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.95 27.45 49.99 Favored Glycine 0 N--CA 1.447 -0.578 0 N-CA-C 110.394 -1.083 . . . . 0.0 110.394 -173.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -144.47 151.69 39.54 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.009 -0.596 . . . . 0.0 110.679 -173.268 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -95.41 107.22 19.35 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 172.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . 0.562 ' O ' HG13 ' B' ' 36' ' ' ILE . 9.3 p -58.45 -33.15 47.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 178.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . 0.783 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 3.1 t -55.26 -58.77 3.49 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.598 0 CA-C-N 114.736 -1.12 . . . . 0.0 110.03 175.665 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -60.2 -34.13 73.2 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.655 -175.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . 0.407 ' O ' ' HD2' ' B' ' 39' ' ' HIS . . . -58.64 -46.26 87.5 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 121.553 0.692 . . . . 0.0 109.587 176.376 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.562 HG13 ' O ' ' B' ' 32' ' ' VAL . 35.7 mt -69.82 -56.21 12.22 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.425 179.161 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.783 ' HG ' ' O ' ' B' ' 33' ' ' VAL . 28.0 mt -43.49 -43.5 5.44 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 124.049 0.843 . . . . 0.0 112.07 -175.044 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -85.67 -35.01 21.17 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 -171.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' HIS . . . . . 0.407 ' HD2' ' O ' ' B' ' 35' ' ' ALA . 17.7 m-70 -75.8 -30.61 59.12 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 -169.745 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.579 ' HG ' ' O ' ' B' ' 40' ' ' LEU . 1.8 pt? -99.79 83.52 2.76 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 122.388 1.09 . . . . 0.0 111.393 -178.521 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 23.6 p-10 -84.31 40.61 0.78 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.243 -0.89 . . . . 0.0 109.639 175.005 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' THR . . . . . 0.449 HG21 ' CD ' ' B' ' 13' ' ' GLU . 5.0 t -96.58 -29.74 13.69 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.76 -1.109 . . . . 0.0 110.806 -175.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . 0.537 HG23 ' OG1' ' B' ' 8' ' ' THR . 3.9 p -131.57 130.69 22.49 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.698 -174.107 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -80.8 101.94 1.34 Allowed 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 122.667 2.244 . . . . 0.0 111.922 177.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.765 ' HB3' ' O ' ' B' ' 6' ' ' ALA . 0.0 OUTLIER -156.53 169.21 25.17 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.647 -178.055 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' THR . . . . . 0.503 ' OG1' ' HG2' ' B' ' 49' ' ' GLN . 82.4 p -76.72 176.83 8.08 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.969 0.414 . . . . 0.0 111.005 -178.497 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . 0.493 ' HD2' ' HB3' ' B' ' 37' ' ' LEU . 27.4 mmt180 -73.93 -29.74 62.19 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 177.724 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 25.1 ttpp -62.11 -36.74 82.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.056 -0.975 . . . . 0.0 110.852 176.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.503 ' HG2' ' OG1' ' B' ' 46' ' ' THR . 15.5 mm100 -60.86 -38.92 87.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.271 -178.04 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . 0.521 HD13 ' CZ ' ' B' ' 45' ' ' ARG . 2.1 mp -61.19 -54.81 30.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.894 0.378 . . . . 0.0 110.107 176.357 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 63.9 mt -59.46 -45.4 93.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.379 -176.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' HIS . . . . . 0.508 ' O ' ' HB2' ' B' ' 56' ' ' GLN . 1.7 m-70 -60.75 -39.35 88.37 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.181 -175.22 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' HIS . . . . . 0.527 ' O ' ' HB2' ' B' ' 57' ' ' MET . 71.3 m-70 -69.95 -28.82 65.88 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.521 -0.472 . . . . 0.0 110.901 179.725 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . 0.452 ' O ' ' HG ' ' B' ' 59' ' ' LEU . 75.5 mt -74.53 -49.46 21.89 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.216 0.532 . . . . 0.0 110.509 -177.302 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . 0.408 ' HA ' ' HB3' ' B' ' 60' ' ' ALA . 18.6 m -70.66 -30.9 44.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.547 -179.479 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' GLN . . . . . 0.508 ' HB2' ' O ' ' B' ' 52' ' ' HIS . 25.0 mt-30 -75.78 -18.53 59.49 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.048 176.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.635 ' SD ' ' HD2' ' B' ' 18' ' ' ARG . 23.1 ttm -82.83 -11.02 58.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.097 0.475 . . . . 0.0 110.337 -179.053 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 86.78 2.28 84.48 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.619 178.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' B' ' 54' ' ' LEU . 4.2 pp -87.83 -9.55 53.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.323 0.582 . . . . 0.0 109.986 179.099 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . 0.408 ' HB3' ' HA ' ' B' ' 55' ' ' VAL . . . -132.88 164.91 25.84 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.107 173.355 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -74.67 -66.17 0.78 Allowed 'General case' 0 CA--C 1.514 -0.432 0 CA-C-O 120.828 0.347 . . . . 0.0 111.002 177.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 16.9 p -157.2 173.79 16.44 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.954 -176.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 91.6 t -64.95 -28.37 44.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.495 -177.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 13.8 pttm -63.0 -28.57 70.2 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.663 0.744 . . . . 0.0 110.876 -177.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -68.17 -20.17 64.85 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.756 -1.111 . . . . 0.0 110.855 178.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -102.09 -47.36 4.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.814 0.816 . . . . 0.0 109.07 176.18 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -134.78 87.99 2.39 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.373 -1.285 . . . . 0.0 109.693 -178.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 41.0 ttp180 -69.29 83.99 0.38 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.694 0.759 . . . . 0.0 111.032 -179.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 46.4 tttp -155.54 -50.16 0.08 Allowed 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 114.756 -1.111 . . . . 0.0 109.024 177.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -86.02 72.91 2.62 Favored Glycine 0 N--CA 1.445 -0.723 0 CA-C-N 115.481 -0.781 . . . . 0.0 112.145 179.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.46 134.27 35.96 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-O 121.288 0.566 . . . . 0.0 110.631 176.104 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 48.0 p-80 -68.93 49.28 0.07 Allowed 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 114.859 -1.064 . . . . 0.0 111.39 177.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . 0.515 HG12 HH11 ' B' ' 113' ' ' ARG . 0.6 OUTLIER -62.52 118.02 4.28 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.815 0 CA-C-O 122.54 1.162 . . . . 0.0 110.781 -177.762 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . 0.417 HG21 ' HG3' ' B' ' 113' ' ' ARG . 61.1 t -54.81 133.6 18.19 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.426 0 CA-C-N 112.368 -2.196 . . . . 0.0 109.01 173.643 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . 0.551 ' O ' ' HG ' ' B' ' 75' ' ' LEU . 2.3 pt? -47.66 94.93 0.01 OUTLIER 'General case' 0 C--N 1.316 -0.849 0 O-C-N 124.275 0.984 . . . . 0.0 110.808 178.587 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' TRP . . . . . 0.5 ' CH2' HD22 ' B' ' 84' ' ' LEU . 44.6 m95 -95.99 108.12 20.48 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.493 -177.397 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 44.4 p -123.05 176.27 6.13 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.09 -0.959 . . . . 0.0 108.816 179.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -61.88 -42.62 99.76 Favored Glycine 0 N--CA 1.453 -0.177 0 C-N-CA 120.481 -0.866 . . . . 0.0 111.37 177.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -64.29 -49.73 70.67 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.89 0.376 . . . . 0.0 110.678 177.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.72 -33.45 75.14 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.272 -178.282 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -78.4 -39.7 38.21 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.862 -177.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 20.9 tp -61.52 -40.65 95.41 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 174.283 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . 0.441 ' O ' ' HB2' ' B' ' 87' ' ' LEU . 8.5 mm-40 -56.2 -45.03 79.98 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.336 175.183 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . 0.5 HD22 ' CH2' ' B' ' 76' ' ' TRP . 31.6 tp -60.62 -48.85 79.95 Favored 'General case' 0 C--N 1.333 -0.139 0 O-C-N 123.365 0.416 . . . . 0.0 110.854 175.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -54.47 -56.29 20.23 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 123.572 0.545 . . . . 0.0 110.782 -176.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 7.6 mtp180 -60.17 -51.49 69.38 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 120.82 -0.352 . . . . 0.0 111.23 178.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . 0.539 HD22 HG23 ' B' ' 101' ' ' ILE . 12.2 tp -53.0 -47.94 67.89 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.13 -177.079 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -62.57 -59.8 4.42 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.256 -179.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.455 ' OE1' ' HD2' ' B' ' 92' ' ' ARG . 6.2 mm-40 -54.96 -41.58 71.3 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-O 121.482 0.658 . . . . 0.0 111.564 -176.791 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -71.14 -20.22 62.34 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 115.068 -0.969 . . . . 0.0 112.374 -175.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -118.82 13.65 13.22 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 92' ' ' ARG . . . . . 0.455 ' HD2' ' OE1' ' B' ' 89' ' ' GLU . 18.9 mtp180 -61.67 -27.49 68.72 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-O 120.883 0.373 . . . . 0.0 111.138 -179.051 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -65.93 5.7 0.46 Allowed 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.144 -0.934 . . . . 0.0 112.453 -178.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 20.1 m -104.71 142.91 33.85 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 172.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -66.57 -13.92 61.67 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 120.834 0.35 . . . . 0.0 110.947 -177.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -137.11 87.63 2.29 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 169.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 97' ' ' VAL . . . . . 0.416 HG11 ' O ' ' B' ' 130' ' ' LEU . 7.6 p -70.85 -31.24 44.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.897 -177.616 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . 0.511 ' O ' ' HG2' ' B' ' 102' ' ' MET . 5.4 mp -64.74 -32.68 74.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.491 -176.385 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 99' ' ' GLY . . . . . 0.55 ' O ' ' HD3' ' B' ' 103' ' ' LYS . . . -58.1 -45.7 93.6 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.503 -0.856 . . . . 0.0 111.07 174.358 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 18.0 m-70 -69.47 -34.72 74.77 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.578 -0.526 . . . . 0.0 109.578 178.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 101' ' ' ILE . . . . . 0.539 HG23 HD22 ' B' ' 87' ' ' LEU . 29.4 mt -59.54 -65.09 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.007 -179.344 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 102' ' ' MET . . . . . 0.532 ' HE2' ' O ' ' B' ' 109' ' ' ARG . 7.5 ptp -66.59 -19.46 65.78 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 -172.183 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 103' ' ' LYS . . . . . 0.55 ' HD3' ' O ' ' B' ' 99' ' ' GLY . 5.5 mptp? -86.36 -36.78 19.01 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.735 177.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 104' ' ' ASN . . . . . 0.425 ' N ' HD21 ' B' ' 104' ' ' ASN . 0.9 OUTLIER -94.01 -4.95 48.64 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.211 0.448 . . . . 0.0 112.211 -174.935 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 105' ' ' ILE . . . . . 0.537 HG21 ' O ' ' B' ' 107' ' ' ALA . 7.0 tp -91.73 148.66 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.358 0.599 . . . . 0.0 110.946 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 106' ' ' THR . . . . . 0.46 ' N ' HG13 ' B' ' 105' ' ' ILE . 6.1 t -63.73 -21.7 66.53 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.994 -1.003 . . . . 0.0 111.845 -177.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . 0.537 ' O ' HG21 ' B' ' 105' ' ' ILE . . . -112.32 128.68 56.35 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.517 -178.162 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 108' ' ' LYS . . . . . 0.451 ' HA ' ' HE3' ' B' ' 108' ' ' LYS . 0.0 OUTLIER -77.73 101.8 6.83 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.492 0.663 . . . . 0.0 109.82 -179.299 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 109' ' ' ARG . . . . . 0.532 ' O ' ' HE2' ' B' ' 102' ' ' MET . 23.5 mtt85 -105.53 160.6 15.05 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.045 -178.185 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 42.0 t -98.37 165.41 11.87 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.549 171.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 12.8 mmt85 -58.09 -44.2 87.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.406 -176.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -61.06 -25.22 66.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.643 -178.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . 0.598 ' NE ' ' HA ' ' B' ' 113' ' ' ARG . 2.3 mmp_? -81.31 -32.46 33.08 Favored 'General case' 0 CA--C 1.509 -0.633 0 CA-C-O 121.315 0.579 . . . . 0.0 110.871 -178.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 114' ' ' ILE . . . . . 0.401 ' O ' ' HG ' ' B' ' 118' ' ' LEU . 57.0 mt -83.66 -42.61 17.54 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.158 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.6 -174.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 115' ' ' VAL . . . . . 0.554 ' O ' HD23 ' B' ' 119' ' ' LEU . 34.6 m -63.29 -38.34 81.87 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.134 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.473 179.045 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -61.73 -48.21 81.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.249 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . 0.508 ' O ' HD11 ' B' ' 121' ' ' LEU . 0.4 OUTLIER -70.73 -29.62 65.93 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 120.389 -0.525 . . . . 0.0 111.659 -173.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' B' ' 114' ' ' ILE . 13.3 mt -58.54 -46.35 87.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.905 0.383 . . . . 0.0 110.732 178.001 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 119' ' ' LEU . . . . . 0.554 HD23 ' O ' ' B' ' 115' ' ' VAL . 4.3 mm? -63.42 -32.13 73.48 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.561 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -73.12 -40.25 65.08 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.76 -177.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 121' ' ' LEU . . . . . 0.508 HD11 ' O ' ' B' ' 117' ' ' LYS . 9.7 mp -73.97 -24.27 59.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.146 174.401 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 77.56 30.77 52.56 Favored Glycine 0 N--CA 1.444 -0.771 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.427 -174.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 59.1 mt -75.07 -19.98 59.74 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.861 0.839 . . . . 0.0 109.238 179.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 124' ' ' VAL . . . . . 0.447 HG11 HD23 ' B' ' 130' ' ' LEU . 30.6 m -141.14 170.43 13.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 114.31 -1.314 . . . . 0.0 110.107 176.773 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -99.0 -22.42 15.74 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.789 177.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 126' ' ' GLU . . . . . 0.505 ' OE2' ' HB3' ' B' ' 141' ' ' SER . 5.5 pt-20 -169.09 -179.63 3.67 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.336 -0.847 . . . . 0.0 108.989 -179.553 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 127' ' ' ARG . . . . . 0.666 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 48.4 mtp180 -72.54 -21.86 61.1 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -177.06 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 128' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -56.97 -38.49 73.05 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.818 0.342 . . . . 0.0 111.458 174.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -71.08 -15.84 62.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.839 -0.619 . . . . 0.0 112.584 -171.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 130' ' ' LEU . . . . . 0.666 ' HG ' ' O ' ' B' ' 127' ' ' ARG . 0.1 OUTLIER -95.0 2.54 55.36 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.312 0.577 . . . . 0.0 110.709 -177.675 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 131' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -127.23 91.35 3.3 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 107.926 -1.138 . . . . 0.0 107.926 173.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -76.62 59.7 1.56 Allowed 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 113.636 0.976 . . . . 0.0 113.636 -165.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . 0.609 ' O ' ' HD2' ' B' ' 134' ' ' ARG . 41.0 pttt -144.68 69.15 1.25 Allowed 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 122.257 1.027 . . . . 0.0 111.473 160.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 134' ' ' ARG . . . . . 0.609 ' HD2' ' O ' ' B' ' 133' ' ' LYS . 6.0 mpt_? -144.82 71.7 1.31 Allowed 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 104.582 -2.377 . . . . 0.0 104.582 157.547 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -116.16 87.31 2.65 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 114.717 -1.128 . . . . 0.0 111.138 -176.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -134.93 -174.07 3.49 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.187 178.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 137' ' ' LYS . . . . . 0.694 ' HG2' ' O ' ' B' ' 137' ' ' LYS . 0.0 OUTLIER -71.11 82.63 0.7 Allowed 'General case' 0 CA--C 1.548 0.868 0 CA-C-O 122.624 1.202 . . . . 0.0 111.754 -179.77 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.27 168.94 18.88 Favored 'General case' 0 C--N 1.314 -0.958 0 O-C-N 121.113 -0.992 . . . . 0.0 111.239 174.705 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . -78.25 -174.53 3.74 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.435 177.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 13.0 p -62.0 139.69 58.4 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.475 178.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 141' ' ' SER . . . . . 0.505 ' HB3' ' OE2' ' B' ' 126' ' ' GLU . 32.8 m . . . . . 0 C--O 1.248 0.994 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.516 -177.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . 0.494 ' H3 ' ' CD ' ' B' ' 2' ' ' PRO . 25.4 t70 . . . . . 0 N--CA 1.484 1.264 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . 0.494 ' CD ' ' H3 ' ' B' ' 1' ' ' ASP . 22.0 Cg_exo -67.84 30.93 0.14 Allowed 'Trans proline' 0 C--N 1.366 1.448 0 C-N-CA 122.553 2.168 . . . . 0.0 114.583 -176.76 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' SER . . . . . 0.413 ' H ' ' C ' ' B' ' 1' ' ' ASP . 8.1 t -147.2 26.0 1.09 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.664 0.745 . . . . 0.0 109.681 175.31 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . 0.464 ' NE ' ' HA ' ' B' ' 4' ' ' ARG . 5.7 mmp_? -88.78 -164.07 1.08 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.329 176.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 16.0 tpp180 -43.82 112.45 0.39 Allowed 'General case' 0 N--CA 1.464 0.25 0 O-C-N 123.773 0.67 . . . . 0.0 111.103 177.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.08 146.82 90.41 Favored Pre-proline 0 N--CA 1.449 -0.502 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.988 -176.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_endo -91.6 -177.11 0.93 Allowed 'Trans proline' 0 N--CA 1.448 -1.185 0 C-N-CA 123.11 2.54 . . . . 0.0 111.694 173.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 3.9 p -94.6 140.39 29.92 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.659 177.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 32.2 m95 -74.78 166.33 23.78 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.566 -179.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 47.2 m -135.74 153.58 77.44 Favored Pre-proline 0 C--N 1.319 -0.73 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 178.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -41.31 -44.71 5.72 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 123.632 2.888 . . . . 0.0 113.928 -175.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -58.0 -50.38 73.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.132 0.491 . . . . 0.0 110.989 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.437 ' CD ' HG23 ' B' ' 42' ' ' THR . 6.3 tp10 -75.71 -31.49 59.68 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.6 -175.173 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -70.26 -34.4 72.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.202 0.525 . . . . 0.0 109.85 177.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.61 -33.81 76.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.943 -0.572 . . . . 0.0 109.897 173.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.516 ' O ' ' HB3' ' B' ' 19' ' ' GLU . 14.3 t-160 -74.12 -27.25 60.78 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.23 176.027 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.415 HD21 ' HB2' ' B' ' 53' ' ' HIS . 34.6 tp -67.37 -46.62 72.78 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.234 -0.439 . . . . 0.0 109.992 177.08 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . 0.723 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 38.3 ptt180 -72.42 -28.25 62.85 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 175.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . 0.516 ' HB3' ' O ' ' B' ' 16' ' ' HIS . 8.1 tp10 -53.54 -51.56 62.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.294 179.637 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.75 -26.82 57.77 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.167 -0.924 . . . . 0.0 111.245 -178.481 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -71.09 -50.37 34.4 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-O 121.035 0.445 . . . . 0.0 110.114 179.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.723 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 51.7 mt -63.14 -25.75 68.5 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.285 -178.243 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.17 -54.75 11.51 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.477 178.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -96.14 2.57 53.24 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 -171.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -77.16 -12.96 60.01 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.458 178.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -93.52 9.79 35.21 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.863 0.839 . . . . 0.0 110.019 178.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 31.2 t -108.32 107.49 22.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.678 -176.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -79.89 148.1 31.43 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.093 177.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.59 7.24 87.72 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.138 -179.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . 0.449 ' HG2' ' N ' ' B' ' 31' ' ' ASP . 36.7 tt0 -131.39 153.2 49.92 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.135 0.493 . . . . 0.0 111.019 -178.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . 0.449 ' N ' ' HG2' ' B' ' 30' ' ' GLN . 38.3 m-20 -86.99 115.39 24.34 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.862 171.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . 0.458 ' O ' HG13 ' B' ' 36' ' ' ILE . 8.1 p -65.96 -34.58 71.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.148 178.216 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . 0.705 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 1.3 p -58.36 -51.15 74.81 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.784 -177.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -65.78 -29.26 69.72 Favored 'General case' 0 CA--C 1.521 -0.149 0 C-N-CA 121.11 -0.236 . . . . 0.0 111.504 -178.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . 0.416 ' HB2' ' NE2' ' B' ' 30' ' ' GLN . . . -63.78 -46.27 86.01 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.558 0.695 . . . . 0.0 110.177 176.578 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.458 HG13 ' O ' ' B' ' 32' ' ' VAL . 28.6 mt -70.39 -62.43 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.096 -176.675 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.705 ' HG ' ' O ' ' B' ' 33' ' ' VAL . 2.9 pp -57.89 -26.48 62.2 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 112.958 0.725 . . . . 0.0 112.958 -171.671 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . 0.545 ' N ' HD12 ' B' ' 37' ' ' LEU . . . -88.35 -41.67 12.7 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 -176.688 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 56.5 m-70 -75.57 -30.37 59.65 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.492 -0.483 . . . . 0.0 111.244 -175.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -103.4 80.54 1.83 Allowed 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 122.263 1.03 . . . . 0.0 110.948 172.241 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -89.21 39.81 0.96 Allowed 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.177 -0.919 . . . . 0.0 109.366 176.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' THR . . . . . 0.437 HG23 ' CD ' ' B' ' 13' ' ' GLU . 2.6 t -88.72 -28.59 20.45 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.43 -1.259 . . . . 0.0 110.73 -177.285 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . 0.544 ' O ' ' HD3' ' B' ' 45' ' ' ARG . 0.2 OUTLIER -112.66 126.08 28.9 Favored Pre-proline 0 C--N 1.326 -0.448 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 -179.73 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -76.8 102.73 1.65 Allowed 'Trans proline' 0 N--CA 1.46 -0.452 0 C-N-CA 121.505 1.47 . . . . 0.0 111.171 171.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.544 ' HD3' ' O ' ' B' ' 43' ' ' VAL . 0.0 OUTLIER -148.06 174.39 11.97 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.759 -176.325 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 14.9 t -83.05 161.3 21.73 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 172.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . 0.408 ' HD2' HD21 ' B' ' 37' ' ' LEU . 18.6 mmt180 -68.41 -28.42 67.07 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.3 0.571 . . . . 0.0 110.304 -175.096 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.54 -32.08 62.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.812 176.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -64.3 -44.33 91.94 Favored 'General case' 0 CA--C 1.512 -0.517 0 N-CA-C 111.556 0.206 . . . . 0.0 111.556 -177.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . 0.534 HD11 ' CZ ' ' B' ' 45' ' ' ARG . 4.3 mp -61.85 -49.04 85.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 120.968 0.413 . . . . 0.0 110.037 -177.219 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . 0.477 HG22 ' CD2' ' B' ' 66' ' ' PHE . 71.6 mt -57.6 -47.29 85.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.119 178.615 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' HIS . . . . . 0.631 ' HB3' ' NE2' ' B' ' 56' ' ' GLN . 4.4 m-70 -74.1 -48.49 29.28 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 114.665 -1.152 . . . . 0.0 112.586 -172.291 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' HIS . . . . . 0.415 ' HB2' HD21 ' B' ' 17' ' ' LEU . 13.3 m-70 -54.89 -33.75 62.3 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 120.937 0.399 . . . . 0.0 111.195 -176.256 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . 0.445 HD11 HD11 ' B' ' 36' ' ' ILE . 74.3 mt -74.19 -47.34 36.3 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.827 -177.307 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . 0.408 HG13 ' C ' ' B' ' 62' ' ' SER . 34.7 m -72.45 -22.49 20.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.156 0.503 . . . . 0.0 110.306 178.314 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' GLN . . . . . 0.631 ' NE2' ' HB3' ' B' ' 52' ' ' HIS . 50.8 mt-30 -71.56 -24.52 61.94 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.221 175.535 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 73.4 mtm -91.34 2.77 56.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.95 0.405 . . . . 0.0 110.804 177.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 67.98 14.74 66.2 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 121.094 -0.574 . . . . 0.0 112.876 176.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . 0.434 ' C ' HD12 ' B' ' 59' ' ' LEU . 4.0 pp -97.17 -20.08 18.19 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.566 0.698 . . . . 0.0 109.871 178.378 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . 0.418 ' N ' HD12 ' B' ' 59' ' ' LEU . . . -112.58 150.49 31.29 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.248 171.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -68.09 -66.74 0.53 Allowed 'General case' 0 C--N 1.322 -0.621 0 O-C-N 123.334 0.396 . . . . 0.0 111.715 -174.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' SER . . . . . 0.408 ' C ' HG13 ' B' ' 55' ' ' VAL . 14.6 m -154.71 176.58 12.26 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.09 -0.504 . . . . 0.0 109.772 -174.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 47.0 t -63.83 -27.73 43.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.43 0.634 . . . . 0.0 109.6 174.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . 0.42 ' HB2' ' HZ1' ' B' ' 64' ' ' LYS . 8.6 mtmp? -61.23 -25.19 66.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.204 178.29 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -66.02 -36.93 84.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.675 0.75 . . . . 0.0 109.983 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' PHE . . . . . 0.477 ' CD2' HG22 ' B' ' 51' ' ' ILE . 38.6 m-85 -91.07 -46.98 7.81 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.348 -179.185 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -150.3 95.74 2.31 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.737 -171.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 74.0 mtm180 -70.0 82.08 0.49 Allowed 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.947 0.404 . . . . 0.0 111.209 173.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 25.9 pttm -132.78 -32.27 1.27 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.851 172.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -88.74 29.97 5.59 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.249 177.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -69.29 163.69 24.5 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 176.507 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . 0.47 ' HE2' ' CZ ' ' B' ' 113' ' ' ARG . 0.0 OUTLIER -73.59 -39.24 64.76 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 169.386 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -14.58 125.66 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 O-C-N 125.507 1.754 . . . . 0.0 115.526 -164.509 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . 0.445 HG21 ' HG2' ' B' ' 109' ' ' ARG . 11.7 m -54.95 148.98 2.6 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.775 0 CA-C-N 113.276 -1.784 . . . . 0.0 109.827 179.373 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . 0.443 ' O ' HD13 ' B' ' 75' ' ' LEU . 0.4 OUTLIER -49.85 91.74 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.94 0 O-C-N 123.92 0.763 . . . . 0.0 112.539 179.745 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' TRP . . . . . 0.559 ' CH2' HD22 ' B' ' 84' ' ' LEU . 64.8 m95 -92.22 109.9 21.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.015 0.436 . . . . 0.0 111.008 176.649 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' THR . . . . . 0.584 ' O ' ' HG3' ' B' ' 81' ' ' GLU . 72.6 p -107.11 164.64 11.98 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.984 177.072 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -53.52 -43.75 67.28 Favored Glycine 0 CA--C 1.519 0.313 0 C-N-CA 121.37 -0.443 . . . . 0.0 112.846 -177.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -64.65 -41.65 95.97 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.661 0.267 . . . . 0.0 110.536 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -69.31 -31.7 70.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.798 -178.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 81' ' ' GLU . . . . . 0.584 ' HG3' ' O ' ' B' ' 77' ' ' THR . 48.0 mt-10 -63.66 -36.76 84.9 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 174.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 20.4 tp -69.7 -42.38 74.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.304 175.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -56.98 -43.57 81.82 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.263 177.273 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . 0.559 HD22 ' CH2' ' B' ' 76' ' ' TRP . 58.2 tp -57.36 -53.06 62.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.945 175.343 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . 0.417 ' O ' ' HG3' ' B' ' 89' ' ' GLU . 0.0 OUTLIER -58.67 -48.68 80.25 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.385 -177.832 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 45.0 mtm180 -61.83 -52.28 64.81 Favored 'General case' 0 C--N 1.333 -0.139 0 C-N-CA 121.206 -0.198 . . . . 0.0 111.426 -177.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . 0.46 HD23 HD21 ' B' ' 104' ' ' ASN . 8.8 mp -61.68 -41.32 97.4 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.737 0.303 . . . . 0.0 111.278 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.474 ' O ' ' HB2' ' B' ' 92' ' ' ARG . 27.5 t80 -52.08 -42.76 63.46 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.731 178.507 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.417 ' HG3' ' O ' ' B' ' 85' ' ' GLN . 37.2 mt-10 -80.37 -37.07 33.07 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.81 0.338 . . . . 0.0 110.777 179.203 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -65.97 -41.43 91.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.165 -175.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -99.29 14.52 29.28 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.016 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 92' ' ' ARG . . . . . 0.474 ' HB2' ' O ' ' B' ' 88' ' ' PHE . 44.3 ttt180 -69.89 -27.36 64.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.956 0.408 . . . . 0.0 111.425 -177.281 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -86.78 13.31 9.04 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.096 0.474 . . . . 0.0 111.064 -177.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 78.8 p -104.63 -177.08 3.26 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 177.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -67.21 -41.47 85.73 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.809 0.338 . . . . 0.0 111.458 -176.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 96' ' ' ASP . . . . . 0.437 ' O ' ' HD2' ' B' ' 100' ' ' HIS . 12.7 t0 -140.24 117.01 10.94 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.672 -177.041 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 97' ' ' VAL . . . . . 0.442 ' CG2' ' HA ' ' B' ' 92' ' ' ARG . 46.0 t -70.43 -54.11 19.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.941 0.4 . . . . 0.0 111.141 -178.567 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 7.8 mp -59.07 -39.77 83.12 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.288 -173.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -56.61 -39.31 85.3 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.918 -0.658 . . . . 0.0 111.552 178.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . 0.437 ' HD2' ' O ' ' B' ' 96' ' ' ASP . 69.9 m-70 -80.92 -27.28 36.22 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.747 0.308 . . . . 0.0 110.331 -178.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 101' ' ' ILE . . . . . 0.43 HG13 ' O ' ' B' ' 97' ' ' VAL . 53.6 mt -60.48 -61.42 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.525 176.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 2.2 ptp -65.01 -27.44 68.82 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -175.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -72.46 -41.06 66.51 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 121.101 -0.24 . . . . 0.0 111.368 178.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 104' ' ' ASN . . . . . 0.46 HD21 HD23 ' B' ' 87' ' ' LEU . 12.6 t30 -94.96 -13.91 24.9 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 -171.23 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 105' ' ' ILE . . . . . 0.51 HG12 HH21 ' B' ' 109' ' ' ARG . 10.6 tp -90.21 147.74 5.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 C-N-CA 119.933 -0.707 . . . . 0.0 110.958 -177.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 5.2 t -67.91 -21.86 65.11 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 114.64 -1.163 . . . . 0.0 112.147 -174.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . 0.497 ' O ' HG21 ' B' ' 105' ' ' ILE . . . -101.37 127.44 48.0 Favored 'General case' 0 CA--C 1.514 -0.413 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 177.118 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -74.44 101.88 4.27 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 178.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 109' ' ' ARG . . . . . 0.51 HH21 HG12 ' B' ' 105' ' ' ILE . 41.8 mtm105 -116.38 121.31 41.53 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.591 -175.297 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 110' ' ' SER . . . . . 0.473 ' O ' HG13 ' B' ' 114' ' ' ILE . 23.8 t -70.63 156.09 39.9 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.549 -176.163 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 31.5 mmm-85 -55.22 -47.64 75.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 114.937 -1.029 . . . . 0.0 111.398 -173.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -61.33 -35.84 78.5 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.068 -174.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . 0.47 ' CZ ' ' HE2' ' B' ' 72' ' ' HIS . 0.0 OUTLIER -82.58 -25.16 33.52 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.691 -177.684 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 114' ' ' ILE . . . . . 0.473 HG13 ' O ' ' B' ' 110' ' ' SER . 61.4 mt -71.41 -44.71 71.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 176.053 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 115' ' ' VAL . . . . . . . . . . . . . 33.2 t -55.8 -53.65 35.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.215 177.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -59.45 -38.8 81.69 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.469 -176.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . 0.496 ' O ' HD13 ' B' ' 121' ' ' LEU . 5.8 tmtm? -72.78 -31.65 65.02 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.758 -176.04 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 13.3 mt -61.59 -52.23 65.27 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 121.227 0.537 . . . . 0.0 110.358 173.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -57.49 -34.91 69.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.833 -1.076 . . . . 0.0 110.585 -179.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -70.0 -41.71 73.99 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.223 -0.899 . . . . 0.0 111.171 -178.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 121' ' ' LEU . . . . . 0.496 HD13 ' O ' ' B' ' 117' ' ' LYS . 7.8 mp -69.68 -25.22 63.78 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.956 175.094 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 79.71 30.44 43.98 Favored Glycine 0 N--CA 1.44 -1.092 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 -171.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . 0.413 ' HB3' ' CE1' ' B' ' 88' ' ' PHE . 33.6 mt -74.37 -24.97 59.23 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-O 121.613 0.72 . . . . 0.0 109.099 178.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 124' ' ' VAL . . . . . 0.432 HG23 ' CD2' ' B' ' 130' ' ' LEU . 18.6 m -141.0 172.58 10.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 114.52 -1.218 . . . . 0.0 109.942 177.02 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -116.95 -6.86 11.43 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.259 178.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -161.97 162.87 29.16 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.319 -0.855 . . . . 0.0 109.358 -175.039 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 127' ' ' ARG . . . . . 0.776 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 82.4 mtt180 -77.92 -19.96 53.71 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.269 0.557 . . . . 0.0 110.803 -179.416 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 128' ' ' ARG . . . . . 0.641 ' NH1' ' H ' ' B' ' 141' ' ' SER . 32.6 ttp180 -58.47 -35.74 72.64 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.069 176.326 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -75.01 -7.09 52.68 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.933 -0.576 . . . . 0.0 112.469 -174.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 130' ' ' LEU . . . . . 0.776 ' HG ' ' O ' ' B' ' 127' ' ' ARG . 0.2 OUTLIER -87.38 2.77 49.4 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.733 0.777 . . . . 0.0 109.134 179.38 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 131' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -134.49 129.32 35.0 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.597 -1.183 . . . . 0.0 108.04 179.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -64.61 102.81 0.6 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.301 0.572 . . . . 0.0 110.827 -177.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 53.8 tttp -128.64 161.82 28.77 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.148 -178.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 134' ' ' ARG . . . . . 0.575 ' HD3' ' N ' ' B' ' 134' ' ' ARG . 0.0 OUTLIER -126.33 79.57 1.86 Allowed 'General case' 0 CA--C 1.514 -0.415 0 CA-C-O 121.342 0.591 . . . . 0.0 109.545 -176.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 135' ' ' GLN . . . . . 0.467 ' CD ' ' HD2' ' B' ' 128' ' ' ARG . 5.4 pm0 -111.84 151.07 29.51 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.686 177.331 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -103.85 -153.08 0.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 177.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 137' ' ' LYS . . . . . 0.686 ' HE3' ' O ' ' B' ' 137' ' ' LYS . 0.1 OUTLIER -65.89 84.74 0.08 Allowed 'General case' 0 C--O 1.218 -0.595 0 CA-C-O 121.924 0.868 . . . . 0.0 111.376 179.73 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 138' ' ' LEU . . . . . 0.425 HD13 ' O ' ' B' ' 139' ' ' ALA . 3.1 pp -141.92 170.71 15.21 Favored 'General case' 0 C--N 1.311 -1.086 0 O-C-N 121.416 -0.803 . . . . 0.0 110.536 176.145 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 139' ' ' ALA . . . . . 0.425 ' O ' HD13 ' B' ' 138' ' ' LEU . . . -62.49 174.97 0.85 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 123.33 0.394 . . . . 0.0 111.326 -177.208 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 18.9 t -64.4 98.21 0.23 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.882 0.372 . . . . 0.0 110.135 -178.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 141' ' ' SER . . . . . 0.641 ' H ' ' NH1' ' B' ' 128' ' ' ARG . 9.1 t . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.092 -0.956 . . . . 0.0 109.181 -177.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 . . . . . 0 N--CA 1.482 1.158 0 N-CA-C 110.722 -0.103 . . . . 0.0 110.722 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . 0.426 ' HB3' HG22 ' B' ' 46' ' ' THR . 5.4 Cg_endo -48.86 -68.35 0.09 OUTLIER 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 123.752 2.968 . . . . 0.0 113.049 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 14.6 m -126.48 -49.68 1.52 Allowed 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 175.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 49.3 mtp180 -131.22 176.84 7.93 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.043 -0.981 . . . . 0.0 108.391 172.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -52.01 118.37 3.41 Favored 'General case' 0 C--N 1.33 -0.25 0 O-C-N 123.609 0.568 . . . . 0.0 109.668 177.211 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.33 132.93 87.54 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-O 121.231 0.539 . . . . 0.0 112.153 -174.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -92.87 -177.8 0.77 Allowed 'Trans proline' 0 N--CA 1.452 -0.933 0 C-N-CA 123.141 2.561 . . . . 0.0 112.652 178.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 3.0 p -92.63 158.16 16.11 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.874 0.368 . . . . 0.0 111.557 177.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 77.6 m95 -89.29 112.9 24.08 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.681 178.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 15.3 t -71.11 148.22 94.04 Favored Pre-proline 0 C--N 1.321 -0.642 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 173.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_exo -43.94 -49.0 8.72 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 123.156 2.57 . . . . 0.0 113.375 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -57.92 -38.19 75.44 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.881 0.372 . . . . 0.0 110.875 178.121 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -72.05 -35.01 69.19 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.289 -177.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -64.28 -44.34 92.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.161 0.505 . . . . 0.0 109.744 174.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . 0.507 ' O ' ' HB2' ' B' ' 19' ' ' GLU . . . -67.06 -29.54 69.35 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.582 177.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.47 ' CE1' ' HB3' ' B' ' 40' ' ' LEU . 19.8 t-160 -74.35 -31.94 62.61 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.583 176.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 24.4 tp -66.86 -41.77 86.79 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 179.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . 0.817 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 15.3 ptm180 -77.4 -32.37 54.75 Favored 'General case' 0 N--CA 1.443 -0.794 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 176.135 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . 0.507 ' HB2' ' O ' ' B' ' 15' ' ' ALA . 6.8 tp10 -51.57 -56.89 10.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.615 0.722 . . . . 0.0 110.509 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.98 -31.44 71.15 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.823 -178.529 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' TYR . . . . . 0.473 ' O ' ' HB3' ' B' ' 25' ' ' LYS . 92.2 t80 -68.27 -46.86 69.26 Favored 'General case' 0 CA--C 1.513 -0.45 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 -179.538 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.817 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 62.1 mt -59.25 -24.64 63.36 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.715 -179.405 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.92 -31.25 35.16 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 -178.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 -127.81 17.85 6.78 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -174.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.514 ' HD3' ' HA ' ' B' ' 22' ' ' LEU . 18.6 pttm -72.22 -35.02 68.77 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -172.285 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -103.49 14.6 30.95 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.86 0.362 . . . . 0.0 111.457 -174.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 45.7 t -87.81 106.43 16.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 173.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -93.16 148.09 22.32 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.162 -175.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 92.84 -8.96 76.19 Favored Glycine 0 N--CA 1.45 -0.424 0 N-CA-C 110.741 -0.944 . . . . 0.0 110.741 -174.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -115.45 149.2 38.43 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.012 -0.594 . . . . 0.0 110.477 178.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -69.45 106.47 2.97 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.032 171.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . 0.675 ' O ' HG12 ' B' ' 36' ' ' ILE . 7.6 p -68.0 -42.92 85.79 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 C-N-CA 119.975 -0.69 . . . . 0.0 109.749 178.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . 0.734 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 11.7 p -67.21 -40.61 85.42 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.492 0 C-N-CA 120.989 -0.284 . . . . 0.0 110.536 -174.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -69.9 -32.44 70.75 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 -178.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . 0.461 ' O ' ' HD2' ' B' ' 39' ' ' HIS . . . -59.47 -41.82 90.61 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.141 0.496 . . . . 0.0 109.954 173.339 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.675 HG12 ' O ' ' B' ' 32' ' ' VAL . 6.8 mm -72.06 -64.79 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.403 -177.678 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.734 ' HG ' ' O ' ' B' ' 33' ' ' VAL . 2.9 pp -63.57 -25.58 68.3 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 -170.083 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . 0.495 ' N ' HD12 ' B' ' 37' ' ' LEU . . . -82.74 -38.75 22.84 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -178.498 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' HIS . . . . . 0.461 ' HD2' ' O ' ' B' ' 35' ' ' ALA . 68.0 m-70 -75.35 -29.48 59.93 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.191 -0.603 . . . . 0.0 110.849 -176.627 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.569 ' HG ' ' O ' ' B' ' 36' ' ' ILE . 0.8 OUTLIER -98.65 80.24 2.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.932 0.873 . . . . 0.0 110.492 172.487 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -82.2 38.52 0.54 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.753 0.787 . . . . 0.0 109.956 179.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' THR . . . . . 0.447 ' H ' ' C ' ' B' ' 40' ' ' LEU . 4.5 t -94.32 -21.44 18.99 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 114.595 -1.184 . . . . 0.0 109.702 -179.09 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 4.8 m -128.04 113.33 20.22 Favored Pre-proline 0 N--CA 1.451 -0.378 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.271 -179.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -77.92 89.5 1.33 Allowed 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 122.138 1.892 . . . . 0.0 111.026 175.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 79.4 mtt-85 -133.02 176.97 8.02 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.473 -173.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' THR . . . . . 0.572 ' OG1' ' HG2' ' B' ' 49' ' ' GLN . 43.2 p -78.7 169.01 18.9 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.013 177.524 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . 0.439 ' O ' HG13 ' B' ' 51' ' ' ILE . 6.0 mmt180 -72.72 -23.99 60.92 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 179.177 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -68.63 -38.39 80.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 114.98 -1.009 . . . . 0.0 111.485 -178.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.572 ' HG2' ' OG1' ' B' ' 46' ' ' THR . 13.9 mm100 -62.54 -46.42 88.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.863 -173.773 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 2.4 mp -63.32 -48.53 86.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 121.101 -0.24 . . . . 0.0 110.648 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . 0.439 HG13 ' O ' ' B' ' 47' ' ' ARG . 70.1 mt -51.85 -46.96 40.95 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-O 121.599 0.714 . . . . 0.0 110.433 178.389 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -65.44 -49.38 69.37 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.899 -1.046 . . . . 0.0 113.038 -172.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' HIS . . . . . 0.412 ' O ' ' HB2' ' B' ' 57' ' ' MET . 70.6 m-70 -61.65 -27.93 69.02 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 118.414 0.552 . . . . 0.0 111.625 -177.361 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 65.1 mt -81.87 -45.44 15.49 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.271 -174.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . 0.452 ' HA ' ' HB2' ' B' ' 60' ' ' ALA . 9.8 m -72.14 -25.64 23.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.189 0.519 . . . . 0.0 110.287 178.495 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -80.69 -18.48 47.79 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.122 177.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.412 ' HB2' ' O ' ' B' ' 53' ' ' HIS . 31.3 ttm -82.97 -8.1 59.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.058 0.456 . . . . 0.0 110.25 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 85.79 -1.6 87.99 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.616 177.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . 0.434 HD11 ' N ' ' B' ' 60' ' ' ALA . 3.9 pp -86.04 -22.97 26.95 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.147 0.499 . . . . 0.0 110.599 -179.509 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . 0.452 ' HB2' ' HA ' ' B' ' 55' ' ' VAL . . . -112.69 163.14 14.91 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.097 175.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -71.89 -66.39 0.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.153 0.501 . . . . 0.0 110.655 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' SER . . . . . 0.44 ' OG ' ' HE3' ' B' ' 64' ' ' LYS . 73.5 p -164.29 177.91 7.93 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.793 -175.684 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 2.5 t -57.02 -36.8 52.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.841 -178.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . 0.469 ' HA ' ' HA ' ' B' ' 68' ' ' ARG . 0.0 OUTLIER -64.83 -17.58 64.37 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.168 -174.774 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -73.86 -32.36 63.6 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.112 0.482 . . . . 0.0 110.172 179.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' PHE . . . . . 0.424 ' HD2' ' HB ' ' B' ' 33' ' ' VAL . 1.1 m-85 -90.52 -48.93 6.79 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-O 121.761 0.791 . . . . 0.0 109.092 176.714 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' GLN . . . . . 0.401 ' O ' ' HA ' ' B' ' 64' ' ' LYS . 75.6 mt-30 -144.16 113.1 6.76 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 114.247 -1.342 . . . . 0.0 108.946 -178.063 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' ARG . . . . . 0.469 ' HA ' ' HA ' ' B' ' 64' ' ' LYS . 29.1 ttm180 -65.22 82.97 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.414 0.626 . . . . 0.0 110.185 178.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 8.5 tmtt? -76.73 98.75 4.87 Favored 'General case' 0 N--CA 1.438 -1.045 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 175.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -32.57 114.32 0.08 OUTLIER Glycine 0 C--N 1.332 0.356 0 O-C-N 125.047 1.467 . . . . 0.0 112.667 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' THR . . . . . 0.451 ' C ' ' H ' ' B' ' 73' ' ' ILE . 0.4 OUTLIER -59.54 131.23 50.32 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 113.496 0.924 . . . . 0.0 113.496 -168.134 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 44.6 p-80 -74.87 30.64 0.09 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.353 -1.294 . . . . 0.0 110.712 176.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . 0.451 ' H ' ' C ' ' B' ' 71' ' ' THR . 3.5 mm -66.23 112.35 2.05 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.725 0 CA-C-O 122.188 0.994 . . . . 0.0 111.947 -173.345 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . 0.434 ' O ' HG23 ' B' ' 73' ' ' ILE . 0.1 OUTLIER -54.12 122.62 3.98 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.066 0 CA-C-N 113.509 -1.678 . . . . 0.0 107.476 159.317 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 3.8 pp -48.62 137.51 11.84 Favored 'General case' 0 N--CA 1.463 0.219 0 O-C-N 123.775 0.672 . . . . 0.0 111.84 -166.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' TRP . . . . . 0.506 ' CZ2' ' HG2' ' B' ' 117' ' ' LYS . 56.1 m95 -125.41 142.98 51.2 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.3 -0.863 . . . . 0.0 111.022 -178.104 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' THR . . . . . 0.523 ' O ' ' HG3' ' B' ' 81' ' ' GLU . 79.6 p -125.7 161.67 26.77 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 172.485 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -59.12 -33.86 76.78 Favored Glycine 0 C--O 1.235 0.2 0 C-N-CA 120.516 -0.85 . . . . 0.0 111.767 177.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -72.77 -29.79 63.59 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 120.864 0.364 . . . . 0.0 110.374 177.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -75.88 -34.92 60.02 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 178.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 81' ' ' GLU . . . . . 0.621 ' O ' ' HB2' ' B' ' 85' ' ' GLN . 46.1 mt-10 -60.33 -37.17 79.77 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.782 179.612 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . 0.495 ' O ' ' HG3' ' B' ' 86' ' ' ARG . 4.6 pp -83.8 -24.02 31.19 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.744 176.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -65.16 -57.21 9.13 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 179.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 21.7 tp -69.36 -25.48 64.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.107 179.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . 0.621 ' HB2' ' O ' ' B' ' 81' ' ' GLU . 0.7 OUTLIER -60.04 -54.2 48.77 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.978 176.467 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 86' ' ' ARG . . . . . 0.495 ' HG3' ' O ' ' B' ' 82' ' ' LEU . 47.0 mtp180 -74.16 -39.33 63.33 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.846 -178.685 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 10.2 tp -53.94 -43.18 69.59 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.381 0.61 . . . . 0.0 109.653 176.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.634 ' O ' ' HG3' ' B' ' 92' ' ' ARG . 8.0 t80 -55.8 -58.41 7.96 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.037 -0.983 . . . . 0.0 111.615 175.07 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -58.28 -47.65 82.95 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.976 0.417 . . . . 0.0 111.116 -177.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -53.64 -37.83 63.5 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.152 -0.931 . . . . 0.0 112.334 -176.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 91' ' ' PHE . . . . . 0.405 ' HB2' HG22 ' B' ' 97' ' ' VAL . 68.1 m-85 -105.35 11.86 32.31 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.859 0.688 . . . . 0.0 112.859 -174.563 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 92' ' ' ARG . . . . . 0.634 ' HG3' ' O ' ' B' ' 88' ' ' PHE . 78.4 mtp180 -72.04 -12.07 61.05 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 122.041 0.924 . . . . 0.0 109.008 170.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -69.09 -16.03 63.58 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.109 -1.405 . . . . 0.0 110.105 175.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 13.2 t -105.03 167.96 9.37 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.892 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 95' ' ' ASP . . . . . 0.513 ' HA ' ' O ' ' B' ' 132' ' ' LYS . 2.7 m-20 -67.09 -48.24 68.8 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.316 0.579 . . . . 0.0 111.002 -177.597 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 52.9 t0 -114.07 99.52 7.7 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 178.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 97' ' ' VAL . . . . . 0.475 ' O ' HG13 ' B' ' 101' ' ' ILE . 9.9 p -67.08 -39.38 83.13 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.59 -178.629 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . 0.568 ' HB2' ' NH1' ' B' ' 111' ' ' ARG . 4.7 mp -70.64 -29.93 66.42 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-O 120.706 0.289 . . . . 0.0 110.609 -175.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -60.53 -46.09 95.05 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.793 -0.718 . . . . 0.0 111.445 174.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 38.1 m-70 -72.85 -35.47 67.25 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 110.124 -0.325 . . . . 0.0 110.124 177.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 101' ' ' ILE . . . . . 0.475 HG13 ' O ' ' B' ' 97' ' ' VAL . 32.2 mt -50.73 -59.46 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 O-C-N 123.429 0.456 . . . . 0.0 110.816 176.122 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 60.3 mtt -58.24 -40.25 81.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.953 -176.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -78.13 -26.19 47.77 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.347 -174.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -109.83 4.38 21.63 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 -173.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 105' ' ' ILE . . . . . 0.424 HG12 ' H ' ' B' ' 107' ' ' ALA . 15.9 tt -109.36 157.89 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.384 0.612 . . . . 0.0 111.074 177.684 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 6.8 t -77.09 -20.46 55.7 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.743 -1.117 . . . . 0.0 111.245 -178.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . 0.424 ' H ' HG12 ' B' ' 105' ' ' ILE . . . -98.77 128.16 44.92 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.902 0.382 . . . . 0.0 110.996 -175.711 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 8.4 mmpt? -96.77 103.05 14.94 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 179.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -137.95 -177.79 4.97 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.984 -175.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 22.7 p -97.05 164.26 12.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.893 -174.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 111' ' ' ARG . . . . . 0.568 ' NH1' ' HB2' ' B' ' 98' ' ' LEU . 11.7 mmt180 -63.85 -45.06 91.2 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.664 178.024 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 112' ' ' ALA . . . . . 0.447 ' O ' ' HB2' ' B' ' 116' ' ' ASP . . . -58.74 -29.84 67.04 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.888 -175.383 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . 0.489 ' NH2' ' HB3' ' B' ' 116' ' ' ASP . 0.0 OUTLIER -83.73 -30.73 26.48 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 -179.207 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 93.6 mt -76.37 -47.22 30.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 C-N-CA 121.024 -0.27 . . . . 0.0 110.643 179.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 115' ' ' VAL . . . . . 0.514 ' O ' HD23 ' B' ' 119' ' ' LEU . 19.7 m -61.78 -36.16 72.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.057 0.456 . . . . 0.0 110.501 179.609 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 116' ' ' ASP . . . . . 0.489 ' HB3' ' NH2' ' B' ' 113' ' ' ARG . 28.4 t0 -71.03 -34.36 71.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.497 -178.183 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . 0.506 ' HG2' ' CZ2' ' B' ' 76' ' ' TRP . 53.8 tptt -70.78 -38.38 73.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.303 -179.276 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 22.1 mt -59.64 -47.39 85.78 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-O 120.78 0.324 . . . . 0.0 111.006 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 119' ' ' LEU . . . . . 0.514 HD23 ' O ' ' B' ' 115' ' ' VAL . 4.6 mm? -65.98 -28.42 68.88 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.894 -177.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -75.44 -34.67 61.0 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.432 -178.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 121' ' ' LEU . . . . . 0.439 HD13 ' HE3' ' B' ' 117' ' ' LYS . 9.2 mp -78.79 -25.24 44.28 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.642 172.262 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 76.24 35.23 43.72 Favored Glycine 0 N--CA 1.442 -0.938 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 -171.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 42.3 mt -74.37 -21.98 59.41 Favored 'General case' 0 CA--C 1.513 -0.452 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 176.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 124' ' ' VAL . . . . . 0.525 HG22 HD23 ' B' ' 130' ' ' LEU . 15.5 m -146.06 178.54 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 113.952 -1.476 . . . . 0.0 108.714 174.674 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -116.81 -7.61 11.44 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.004 0.43 . . . . 0.0 110.752 179.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 126' ' ' GLU . . . . . 0.454 ' OE1' ' HD2' ' B' ' 128' ' ' ARG . 11.1 pt-20 -161.87 162.41 29.27 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.097 -176.288 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 127' ' ' ARG . . . . . 0.61 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 0.8 OUTLIER -78.73 -21.52 47.9 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.449 179.237 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 128' ' ' ARG . . . . . 0.454 ' HD2' ' OE1' ' B' ' 126' ' ' GLU . 36.1 mtt180 -60.71 -29.52 69.4 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.273 0.559 . . . . 0.0 110.726 -176.366 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -83.45 -7.41 59.56 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.417 -0.811 . . . . 0.0 111.773 -174.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 130' ' ' LEU . . . . . 0.61 ' HG ' ' O ' ' B' ' 127' ' ' ARG . 0.2 OUTLIER -91.3 -11.77 37.05 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.009 0.433 . . . . 0.0 109.881 -179.51 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 131' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -123.29 76.1 1.36 Allowed 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 179.017 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . 0.513 ' O ' ' HA ' ' B' ' 95' ' ' ASP . 28.8 mmtm -129.76 -166.86 1.72 Allowed 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 121.105 0.479 . . . . 0.0 111.484 -172.142 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . 0.417 ' HG2' ' OD1' ' B' ' 95' ' ' ASP . 36.2 mtmm -117.39 175.4 5.64 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 165.303 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 134' ' ' ARG . . . . . . . . . . . . . 24.5 tpt180 -61.37 82.36 0.01 OUTLIER 'General case' 0 N--CA 1.443 -0.825 0 CA-C-O 121.238 0.542 . . . . 0.0 109.725 170.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -64.44 170.09 4.21 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.846 179.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 24.6 pttm -59.51 170.99 0.9 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.104 170.204 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 137' ' ' LYS . . . . . 0.548 ' HG2' ' O ' ' B' ' 137' ' ' LYS . 0.0 OUTLIER -73.12 86.5 1.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 122.342 1.068 . . . . 0.0 111.276 -178.122 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -137.15 168.42 19.64 Favored 'General case' 0 C--N 1.319 -0.744 0 O-C-N 121.717 -0.614 . . . . 0.0 109.352 177.663 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . -97.22 134.54 40.4 Favored 'General case' 0 C--N 1.314 -0.966 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 177.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.3 106.87 0.58 Allowed 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 172.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 141' ' ' SER . . . . . . . . . . . . . 5.1 t . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.338 -0.839 . . . . 0.0 110.897 -162.191 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 . . . . . 0 N--CA 1.48 1.028 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -90.42 14.42 2.05 Favored 'Trans proline' 0 N--CA 1.459 -0.517 0 C-N-CA 122.658 2.239 . . . . 0.0 113.32 -178.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 11.5 m -89.76 -7.05 55.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.944 0.402 . . . . 0.0 110.277 -179.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 23.5 mmt180 -87.65 97.97 11.17 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-O 121.163 0.506 . . . . 0.0 110.288 -175.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . 0.667 ' O ' ' HD3' ' B' ' 7' ' ' PRO . 27.3 tpt180 -99.29 111.68 24.0 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.485 -0.931 . . . . 0.0 108.485 173.543 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -93.52 105.93 18.42 Favored Pre-proline 0 C--N 1.319 -0.754 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.36 -177.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . 0.667 ' HD3' ' O ' ' B' ' 5' ' ' ARG . 4.7 Cg_endo -101.97 -177.82 0.13 Allowed 'Trans proline' 0 N--CA 1.44 -1.638 0 C-N-CA 123.001 2.467 . . . . 0.0 112.268 174.643 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 5.2 p -81.76 157.63 24.45 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.218 179.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' TRP . . . . . 0.484 ' CZ3' ' HG2' ' B' ' 13' ' ' GLU . 73.1 m95 -90.69 131.41 36.4 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.661 -177.092 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 74.8 p -90.35 157.44 44.86 Favored Pre-proline 0 C--N 1.318 -0.775 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 174.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_exo -56.65 -20.9 36.52 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.364 2.043 . . . . 0.0 111.771 176.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -83.17 -46.87 12.21 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.276 -179.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.484 ' HG2' ' CZ3' ' B' ' 9' ' ' TRP . 21.7 tt0 -65.18 -40.13 93.83 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.372 -178.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . 0.503 ' O ' ' HB2' ' B' ' 17' ' ' LEU . 46.5 mt-10 -67.29 -37.8 83.98 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.031 179.034 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.19 -36.15 83.12 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-O 121.039 0.447 . . . . 0.0 110.495 179.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.432 ' HA ' ' HB3' ' B' ' 19' ' ' GLU . 5.5 t-160 -63.22 -29.39 70.74 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.666 177.287 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.503 ' HB2' ' O ' ' B' ' 14' ' ' GLU . 72.8 mt -58.61 -61.09 2.86 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-O 120.9 0.381 . . . . 0.0 110.04 174.304 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . 0.695 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 13.8 ptm180 -65.84 -31.18 71.99 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.03 178.41 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . 0.432 ' HB3' ' HA ' ' B' ' 16' ' ' HIS . 12.6 tp10 -51.55 -57.49 8.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.835 0.826 . . . . 0.0 110.119 177.535 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.61 -28.06 62.55 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.799 -1.091 . . . . 0.0 111.653 -177.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 44.7 t80 -73.37 -52.31 14.25 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.262 -177.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.695 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 55.6 mt -59.56 -26.9 65.76 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.555 -178.759 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.35 -56.8 4.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.726 176.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 -85.93 -8.83 57.74 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 -171.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 14.8 ptmm? -70.7 -13.65 62.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.123 0.487 . . . . 0.0 110.222 179.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -75.54 -15.69 60.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.303 0.573 . . . . 0.0 110.06 178.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 34.6 t -91.0 111.1 23.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.129 -179.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -84.48 128.25 34.48 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.881 -176.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.0 3.14 65.91 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.505 177.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -103.63 146.65 28.25 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.733 0.302 . . . . 0.0 110.98 179.04 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -64.67 94.49 0.12 Allowed 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.47 170.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . 0.432 ' O ' HG13 ' B' ' 36' ' ' ILE . 6.4 p -69.08 -31.17 49.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 176.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . 0.621 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 1.0 OUTLIER -55.45 -51.25 59.14 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.302 0 CA-C-N 114.74 -1.118 . . . . 0.0 110.116 178.814 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.401 ' N ' HG22 ' B' ' 33' ' ' VAL . 34.2 tt0 -71.54 -42.38 67.97 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.14 -174.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.55 -45.18 37.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.262 0.553 . . . . 0.0 111.006 178.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.436 HG23 ' CD1' ' B' ' 40' ' ' LEU . 58.1 mt -71.37 -63.58 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.18 -177.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.621 ' HG ' ' O ' ' B' ' 33' ' ' VAL . 3.7 pp -61.69 -19.79 62.75 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 -173.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -80.16 -41.22 25.76 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.49 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 31.1 m-70 -79.25 -21.51 46.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.112 0.482 . . . . 0.0 109.709 -178.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.436 ' CD1' HG23 ' B' ' 36' ' ' ILE . 58.5 mt -76.82 81.1 3.41 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.665 176.365 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -106.94 38.32 2.13 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.809 0.814 . . . . 0.0 109.249 177.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 9.1 t -103.97 -20.67 13.8 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.144 176.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . 0.492 HG23 ' NE ' ' B' ' 45' ' ' ARG . 7.4 p -141.32 128.67 11.83 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.99 -173.352 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . 0.456 ' HG2' ' O ' ' B' ' 5' ' ' ARG . 49.7 Cg_endo -72.38 88.54 0.86 Allowed 'Trans proline' 0 N--CA 1.462 -0.363 0 C-N-CA 122.186 1.924 . . . . 0.0 111.784 175.121 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.572 ' NH1' ' HD2' ' B' ' 7' ' ' PRO . 35.8 mmt180 -109.28 171.02 7.68 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.186 179.707 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 26.8 p -98.29 165.77 11.71 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 165.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . 0.497 ' O ' HD13 ' B' ' 51' ' ' ILE . 0.1 OUTLIER -62.69 -35.51 79.94 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.009 0.433 . . . . 0.0 109.94 -178.539 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -52.64 -39.23 61.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.719 179.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -65.78 -49.55 67.94 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.744 -172.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 2.3 mp -60.42 -51.22 75.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 C-N-CA 121.146 -0.222 . . . . 0.0 111.214 -176.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . 0.497 HD13 ' O ' ' B' ' 47' ' ' ARG . 2.4 mp -55.73 -46.94 79.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-O 121.209 0.528 . . . . 0.0 110.579 178.714 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -63.73 -50.38 69.33 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.474 -0.785 . . . . 0.0 112.28 -175.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' HIS . . . . . 0.464 ' O ' ' HB2' ' B' ' 57' ' ' MET . 51.7 m-70 -61.88 -23.7 66.46 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -176.754 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 30.1 mt -82.79 -50.33 8.78 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.975 -176.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . 0.488 ' HA ' ' HB3' ' B' ' 60' ' ' ALA . 6.9 m -70.93 -24.61 24.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.249 0.547 . . . . 0.0 110.168 -179.384 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -83.03 -17.18 44.24 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.987 176.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.464 ' HB2' ' O ' ' B' ' 53' ' ' HIS . 34.0 ttm -80.24 -8.99 59.71 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.137 0.494 . . . . 0.0 110.1 176.664 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 86.49 -2.59 87.41 Favored Glycine 0 N--CA 1.452 -0.247 0 CA-C-N 115.895 -0.593 . . . . 0.0 112.889 175.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . 0.506 HD12 ' N ' ' B' ' 60' ' ' ALA . 3.2 pp -84.67 -24.41 29.02 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.633 0.254 . . . . 0.0 110.756 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . 0.506 ' N ' HD12 ' B' ' 59' ' ' LEU . . . -108.69 157.22 18.74 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.743 176.567 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -62.32 -66.1 0.59 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.247 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 20.3 p -164.53 177.23 8.28 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.974 -176.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 2.1 t -53.03 -33.37 19.55 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.505 178.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . 0.532 ' HA ' ' O ' ' B' ' 67' ' ' GLN . 19.4 mtmm -71.18 -13.22 61.86 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.232 -0.894 . . . . 0.0 111.836 -172.435 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -77.3 -19.4 56.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.896 0.855 . . . . 0.0 109.455 178.388 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' PHE . . . . . 0.493 ' CD1' HG13 ' B' ' 51' ' ' ILE . 19.5 m-85 -108.91 -47.63 3.42 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.769 -1.105 . . . . 0.0 109.755 178.762 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' GLN . . . . . 0.532 ' O ' ' HA ' ' B' ' 64' ' ' LYS . 78.9 mt-30 -137.32 111.35 8.33 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.731 -1.122 . . . . 0.0 108.53 178.485 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 37.1 ttm180 -69.34 82.79 0.38 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.556 0.693 . . . . 0.0 110.266 -178.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -76.09 100.14 4.86 Favored 'General case' 0 N--CA 1.439 -0.987 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 170.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -38.84 115.03 0.42 Allowed Glycine 0 CA--C 1.508 -0.388 0 O-C-N 124.563 1.165 . . . . 0.0 112.114 178.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 4.9 p -60.68 146.48 45.51 Favored 'General case' 0 CA--C 1.504 -0.795 0 N-CA-C 113.737 1.014 . . . . 0.0 113.737 -170.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . 0.539 ' O ' ' HD2' ' B' ' 113' ' ' ARG . 26.0 p-80 -55.36 113.79 1.55 Allowed 'General case' 0 N--CA 1.44 -0.939 0 N-CA-C 107.172 -1.418 . . . . 0.0 107.172 162.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -123.28 113.22 36.77 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.731 0 CA-C-O 121.505 0.669 . . . . 0.0 109.442 177.782 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 5.8 m -62.74 130.59 27.48 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.236 0 N-CA-C 107.365 -1.346 . . . . 0.0 107.365 175.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -48.14 89.42 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 113.272 0.841 . . . . 0.0 113.272 -166.497 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' TRP . . . . . 0.508 ' HA ' HE21 ' B' ' 80' ' ' GLN . 81.9 m95 -84.1 108.11 16.84 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 121.537 0.684 . . . . 0.0 110.498 -178.076 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 42.6 p -115.84 177.63 4.61 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 114.908 -1.042 . . . . 0.0 108.754 176.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.43 -32.31 64.15 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.217 -0.992 . . . . 0.0 110.982 172.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . 0.51 ' O ' ' HG3' ' B' ' 83' ' ' GLU . 1.4 m-20 -62.08 -61.67 2.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.233 -0.483 . . . . 0.0 110.517 176.189 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 80' ' ' GLN . . . . . 0.508 HE21 ' HA ' ' B' ' 76' ' ' TRP . 7.8 tt0 -64.63 -28.16 69.43 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.686 -176.272 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -59.75 -48.4 81.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.589 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . 0.401 HD12 ' N ' ' B' ' 83' ' ' GLU . 4.6 pp -77.16 -26.36 52.94 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.837 179.736 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . 0.51 ' HG3' ' O ' ' B' ' 79' ' ' ASP . 55.5 mt-10 -61.31 -44.82 96.56 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 120.983 0.421 . . . . 0.0 109.962 175.649 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 40.7 tp -64.61 -46.56 82.1 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.139 176.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -54.6 -51.3 65.75 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.201 -179.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 41.8 mtm105 -59.77 -52.11 66.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.237 -178.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 41.1 mt -63.09 -37.45 87.26 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.691 0.281 . . . . 0.0 111.262 -177.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.625 ' O ' ' HB2' ' B' ' 92' ' ' ARG . 34.9 t80 -53.2 -46.59 69.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.544 175.688 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -80.56 -31.84 36.78 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.295 -178.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -71.96 -33.97 68.61 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -174.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -113.18 15.72 19.34 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.819 0.342 . . . . 0.0 110.767 179.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 92' ' ' ARG . . . . . 0.625 ' HB2' ' O ' ' B' ' 88' ' ' PHE . 39.1 ttt180 -65.44 -22.63 66.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.776 -174.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . 0.517 ' HA ' ' HB3' ' B' ' 134' ' ' ARG . 9.4 p-10 -75.87 0.39 18.36 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.586 -179.298 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 9.5 t -105.15 147.16 28.27 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 176.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -59.84 -45.07 93.55 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.974 0.416 . . . . 0.0 111.625 -174.084 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -107.25 79.28 1.29 Allowed 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 175.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 97' ' ' VAL . . . . . 0.586 ' O ' HG13 ' B' ' 101' ' ' ILE . 2.3 p -64.14 -35.3 73.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.888 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . 0.568 ' O ' ' HG2' ' B' ' 102' ' ' MET . 5.5 mp -61.01 -38.51 86.3 Favored 'General case' 0 CA--C 1.517 -0.319 0 N-CA-C 111.518 0.192 . . . . 0.0 111.518 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -55.14 -40.55 74.98 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.963 -0.637 . . . . 0.0 111.887 177.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -78.46 -33.72 48.19 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 -179.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 101' ' ' ILE . . . . . 0.586 HG13 ' O ' ' B' ' 97' ' ' VAL . 65.4 mt -57.34 -64.03 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.676 177.123 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 102' ' ' MET . . . . . 0.568 ' HG2' ' O ' ' B' ' 98' ' ' LEU . 11.6 ptp -68.21 -15.22 63.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.744 -175.558 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -81.56 -48.93 11.15 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 121.119 -0.232 . . . . 0.0 110.995 178.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -94.29 -2.32 52.47 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 -169.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 105' ' ' ILE . . . . . 0.531 HG12 ' NH2' ' B' ' 109' ' ' ARG . 10.5 tp -91.54 156.8 2.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 C-N-CA 120.484 -0.487 . . . . 0.0 110.447 178.539 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 106' ' ' THR . . . . . 0.438 ' N ' HG13 ' B' ' 105' ' ' ILE . 13.7 t -65.82 -34.23 77.69 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.468 -0.787 . . . . 0.0 112.02 -175.417 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . 0.464 ' O ' HG21 ' B' ' 105' ' ' ILE . . . -97.98 126.53 43.44 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 178.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 108' ' ' LYS . . . . . 0.41 ' HE3' ' O ' ' B' ' 105' ' ' ILE . 0.1 OUTLIER -79.93 101.08 8.39 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 177.513 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 109' ' ' ARG . . . . . 0.531 ' NH2' HG12 ' B' ' 105' ' ' ILE . 35.5 mtt180 -100.66 164.14 12.01 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.653 -177.007 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 2.9 p -98.79 168.63 10.01 Favored 'General case' 0 C--N 1.311 -1.065 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.961 175.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 12.4 mmt85 -65.25 -42.87 92.85 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.865 -175.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.59 -27.38 66.24 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.432 179.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . 0.633 ' NE ' ' HA ' ' B' ' 113' ' ' ARG . 2.7 mmp_? -82.78 -32.78 27.58 Favored 'General case' 0 CA--C 1.509 -0.605 0 CA-C-O 120.978 0.418 . . . . 0.0 111.497 -179.041 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 67.7 mt -83.03 -43.7 18.55 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.922 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.078 -177.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 115' ' ' VAL . . . . . 0.46 ' HB ' ' HG2' ' B' ' 127' ' ' ARG . 25.8 m -64.18 -39.73 86.54 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.194 0 CA-C-O 120.816 0.341 . . . . 0.0 110.628 -179.44 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -67.0 -43.61 82.49 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.636 -177.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 58.5 tptt -67.62 -31.77 72.03 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.25 0.548 . . . . 0.0 109.763 179.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . 0.522 HD23 ' CE1' ' B' ' 88' ' ' PHE . 3.6 tp -65.33 -40.73 94.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.612 178.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 119' ' ' LEU . . . . . 0.427 HD23 ' N ' ' B' ' 119' ' ' LEU . 3.1 mt -67.66 -24.46 65.44 Favored 'General case' 0 N--CA 1.462 0.132 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.75 -45.26 29.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.346 -177.02 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 11.1 mp -63.37 -24.66 67.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.371 0.605 . . . . 0.0 109.519 171.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 68.78 34.24 77.33 Favored Glycine 0 N--CA 1.439 -1.118 0 CA-C-N 114.964 -1.016 . . . . 0.0 111.337 -176.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . 0.46 HD11 ' CD2' ' B' ' 88' ' ' PHE . 70.2 mt -68.75 -22.62 64.3 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 122.225 1.012 . . . . 0.0 108.326 171.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 124' ' ' VAL . . . . . 0.517 HG21 ' CD2' ' B' ' 130' ' ' LEU . 19.2 m -137.94 169.35 18.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 113.739 -1.573 . . . . 0.0 109.382 175.784 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -105.97 -6.15 19.04 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.436 178.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 126' ' ' GLU . . . . . 0.414 ' CD ' ' HB3' ' B' ' 128' ' ' ARG . 10.7 pt-20 -170.12 173.76 5.75 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 -174.747 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 127' ' ' ARG . . . . . 0.526 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 35.4 mtp180 -78.8 -21.83 47.2 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -177.574 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 128' ' ' ARG . . . . . 0.414 ' HB3' ' CD ' ' B' ' 126' ' ' GLU . 3.1 ttm-85 -65.1 -34.52 78.6 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 112.681 0.622 . . . . 0.0 112.681 -176.161 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 129' ' ' GLU . . . . . 0.429 ' CD ' ' HZ3' ' B' ' 137' ' ' LYS . 30.0 mt-10 -67.24 -35.21 79.09 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 111.779 0.288 . . . . 0.0 111.779 -174.137 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 130' ' ' LEU . . . . . 0.526 ' HG ' ' O ' ' B' ' 127' ' ' ARG . 0.1 OUTLIER -82.16 15.35 2.41 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -173.235 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 131' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -129.99 46.33 2.67 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.195 0.521 . . . . 0.0 109.595 174.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 36.8 mmtm -131.78 -179.34 5.33 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.307 -179.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm -86.06 173.9 9.56 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.202 177.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 134' ' ' ARG . . . . . 0.613 ' O ' ' HG2' ' B' ' 134' ' ' ARG . 0.1 OUTLIER -63.81 80.46 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.714 0 CA-C-O 122.009 0.909 . . . . 0.0 112.0 176.232 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 3.5 pm0 -112.03 170.65 8.01 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.358 169.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -46.44 145.96 1.61 Allowed 'General case' 0 N--CA 1.466 0.347 0 O-C-N 123.605 0.566 . . . . 0.0 111.38 177.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 137' ' ' LYS . . . . . 0.429 ' HZ3' ' CD ' ' B' ' 129' ' ' GLU . 0.2 OUTLIER -72.25 99.27 2.34 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.567 -1.272 . . . . 0.0 107.567 171.502 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 72.0 mt -63.54 168.89 4.26 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.477 -175.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . -73.1 -153.58 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.732 174.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 21.8 t -63.15 102.09 0.35 Allowed 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 175.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 141' ' ' SER . . . . . . . . . . . . . 20.8 t . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.721 -0.657 . . . . 0.0 109.696 179.347 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . 0.476 ' H3 ' ' HD2' ' B' ' 2' ' ' PRO . 2.3 m-20 . . . . . 0 N--CA 1.483 1.194 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . 0.476 ' HD2' ' H3 ' ' B' ' 1' ' ' ASP . 67.8 Cg_endo -82.92 20.41 1.16 Allowed 'Trans proline' 0 C--N 1.355 0.88 0 C-N-CA 121.677 1.584 . . . . 0.0 112.983 -173.685 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 19.8 m -101.45 18.34 20.39 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.043 0.449 . . . . 0.0 111.127 -176.129 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 41.0 mtp-105 -88.86 177.96 6.56 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.368 178.472 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -67.71 95.5 0.5 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.362 0.601 . . . . 0.0 109.392 177.046 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . 0.518 ' HB1' ' HD3' ' B' ' 44' ' ' PRO . . . -112.71 151.93 44.35 Favored Pre-proline 0 C--N 1.313 -1.019 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.802 177.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . 0.549 ' HD2' ' O ' ' B' ' 42' ' ' THR . 44.2 Cg_exo -59.32 178.44 0.31 Allowed 'Trans proline' 0 CA--C 1.534 0.513 0 C-N-CA 122.903 2.402 . . . . 0.0 113.522 175.047 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 11.2 t -90.0 160.79 16.19 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.221 -178.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 98.2 m95 -59.56 110.83 1.21 Allowed 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.208 178.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 43.1 t -77.44 151.9 80.87 Favored Pre-proline 0 C--N 1.314 -0.936 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 166.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -49.42 -34.75 33.84 Favored 'Trans proline' 0 C--O 1.237 0.438 0 C-N-CA 122.273 1.982 . . . . 0.0 112.353 176.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -75.54 -23.84 56.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.904 178.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.586 ' CD ' HG23 ' B' ' 42' ' ' THR . 8.6 tp10 -72.83 -30.41 64.0 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -67.62 -38.29 83.71 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.443 174.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . 0.44 ' O ' ' HB2' ' B' ' 19' ' ' GLU . . . -69.44 -32.38 71.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.453 175.766 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.544 ' HA ' ' CB ' ' B' ' 19' ' ' GLU . 11.6 t-160 -76.36 -20.1 57.53 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.036 175.518 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -74.29 -47.17 36.51 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . 0.714 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 34.8 ptt180 -69.84 -29.84 67.19 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 172.663 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . 0.544 ' CB ' ' HA ' ' B' ' 16' ' ' HIS . 7.5 tp10 -54.08 -47.61 71.53 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.67 -177.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.415 HD21 ' ND2' ' B' ' 24' ' ' ASN . 0.3 OUTLIER -76.22 -30.08 57.82 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.536 -178.913 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -69.08 -51.46 38.53 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.003 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.714 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 49.9 mt -61.19 -31.49 71.25 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.908 -177.626 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.57 -23.73 49.93 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.085 -177.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' ASN . . . . . 0.415 ' ND2' HD21 ' B' ' 20' ' ' LEU . 35.7 m-80 -123.42 16.91 9.74 Favored 'General case' 0 N--CA 1.462 0.167 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -176.613 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -85.75 -13.64 47.71 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.93 0.395 . . . . 0.0 111.088 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -102.05 -2.02 30.44 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.649 -173.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 2.7 p -90.55 109.68 21.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.491 0.662 . . . . 0.0 110.154 176.015 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -89.24 149.24 23.18 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.58 -177.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.42 8.61 77.36 Favored Glycine 0 N--CA 1.451 -0.351 0 N-CA-C 110.742 -0.943 . . . . 0.0 110.742 -174.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . 0.406 ' HG2' ' N ' ' B' ' 31' ' ' ASP . 0.1 OUTLIER -122.92 159.11 28.94 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.938 -0.631 . . . . 0.0 110.151 -177.831 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . 0.601 ' OD1' HG23 ' B' ' 33' ' ' VAL . 10.5 t70 -93.53 114.52 26.9 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 173.314 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 9.4 p -70.78 -34.16 55.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.733 0.301 . . . . 0.0 111.225 -173.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . 0.601 HG23 ' OD1' ' B' ' 31' ' ' ASP . 1.3 m -77.09 -36.55 24.87 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.541 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 -176.047 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -62.74 -28.33 69.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.796 176.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . 0.539 ' O ' ' HD2' ' B' ' 39' ' ' HIS . . . -68.86 -51.07 44.33 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.776 177.779 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 22.9 mt -67.68 -54.29 24.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.671 -178.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.467 HD21 HD12 ' B' ' 50' ' ' ILE . 34.6 mt -44.52 -42.6 7.32 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 123.897 0.748 . . . . 0.0 112.205 -178.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -89.27 -28.94 19.56 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 -169.165 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' HIS . . . . . 0.539 ' HD2' ' O ' ' B' ' 35' ' ' ALA . 67.6 m-70 -86.8 -28.81 22.72 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 -168.527 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.529 ' HG ' HH22 ' B' ' 45' ' ' ARG . 1.3 pt? -119.72 97.28 5.55 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 122.025 0.917 . . . . 0.0 111.7 -177.02 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 49.3 m-80 -89.9 40.68 1.01 Allowed 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.547 -0.752 . . . . 0.0 110.496 -178.19 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' THR . . . . . 0.586 HG23 ' CD ' ' B' ' 13' ' ' GLU . 1.8 t -81.29 -28.83 34.48 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.092 -0.958 . . . . 0.0 112.503 -175.052 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . 0.684 HG13 ' CZ ' ' B' ' 45' ' ' ARG . 0.1 OUTLIER -142.02 145.2 35.1 Favored Pre-proline 0 C--N 1.323 -0.551 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 -178.672 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . 0.518 ' HD3' ' HB1' ' B' ' 6' ' ' ALA . 59.4 Cg_endo -67.48 105.2 1.02 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 C-N-CA 122.453 2.102 . . . . 0.0 112.554 -171.365 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.684 ' CZ ' HG13 ' B' ' 43' ' ' VAL . 0.8 OUTLIER -103.57 135.1 45.78 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.724 0.773 . . . . 0.0 112.75 -171.418 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 25.4 p -90.48 171.49 9.38 Favored 'General case' 0 C--N 1.308 -1.209 0 N-CA-C 106.68 -1.6 . . . . 0.0 106.68 154.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -58.59 -40.89 84.49 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.654 0.74 . . . . 0.0 109.656 175.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.407 ' HE2' ' HB3' ' B' ' 48' ' ' LYS . 22.3 ttpt -59.48 -33.54 71.44 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.578 -1.192 . . . . 0.0 112.398 178.6 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.452 HE22 ' CG2' ' B' ' 43' ' ' VAL . 0.0 OUTLIER -52.18 -61.93 1.95 Allowed 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -175.553 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . 0.467 HD12 HD21 ' B' ' 37' ' ' LEU . 2.2 mp -65.2 -45.11 94.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.955 -178.072 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . 0.499 HG23 HG11 ' B' ' 63' ' ' VAL . 90.6 mt -51.64 -49.18 35.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-O 121.196 0.522 . . . . 0.0 111.423 -178.286 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 1.9 m170 -61.45 -50.77 71.43 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.356 -0.838 . . . . 0.0 112.032 -176.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' HIS . . . . . 0.648 ' O ' ' HB2' ' B' ' 57' ' ' MET . 62.5 m-70 -66.93 -22.2 65.95 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.621 -0.432 . . . . 0.0 111.491 -174.458 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . 0.462 HD22 HD13 ' B' ' 59' ' ' LEU . 40.5 mt -75.99 -50.6 14.41 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.014 0.435 . . . . 0.0 110.24 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 19.2 m -69.56 -31.85 50.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.145 0.498 . . . . 0.0 110.226 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -74.22 -18.79 60.7 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.938 177.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.648 ' HB2' ' O ' ' B' ' 53' ' ' HIS . 16.3 ttm -85.51 -4.37 59.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.2 0.524 . . . . 0.0 110.158 -179.419 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 79.88 2.62 88.71 Favored Glycine 0 N--CA 1.453 -0.221 0 CA-C-N 115.79 -0.641 . . . . 0.0 112.793 176.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . 0.462 HD13 HD22 ' B' ' 54' ' ' LEU . 4.2 pp -93.5 -16.49 24.42 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.902 0.382 . . . . 0.0 110.642 -179.344 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -121.64 160.62 24.05 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.717 176.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -74.36 -68.28 0.54 Allowed 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.273 0.471 . . . . 0.0 112.273 -177.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 22.0 m -157.15 162.88 39.37 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.039 0.447 . . . . 0.0 111.142 -173.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' VAL . . . . . 0.499 HG11 HG23 ' B' ' 51' ' ' ILE . 39.5 t -66.81 -20.61 27.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.73 175.53 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . 0.45 ' HB3' ' HZ3' ' B' ' 64' ' ' LYS . 0.1 OUTLIER -44.05 -50.5 8.39 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.57 -1.195 . . . . 0.0 112.248 172.802 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -87.35 -6.59 58.42 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.907 -1.042 . . . . 0.0 111.567 -168.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' PHE . . . . . 0.441 ' CG ' HG21 ' B' ' 51' ' ' ILE . 10.8 m-85 -93.98 -51.1 5.01 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.526 175.639 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -155.92 -100.38 0.03 OUTLIER 'General case' 0 C--O 1.232 0.158 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 17.5 tpt180 -155.27 79.94 1.04 Allowed 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 179.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . 0.473 ' CB ' HG13 ' B' ' 63' ' ' VAL . 7.0 mmtt -158.85 31.92 0.22 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.105 0.479 . . . . 0.0 111.009 171.629 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . 0.411 ' O ' ' HG3' ' B' ' 64' ' ' LYS . . . -170.46 51.73 0.2 Allowed Glycine 0 CA--C 1.503 -0.663 0 N-CA-C 110.29 -1.124 . . . . 0.0 110.29 -179.314 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' THR . . . . . 0.405 ' HA ' ' HG3' ' B' ' 64' ' ' LYS . 1.2 p -70.41 164.67 24.12 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.781 0.8 . . . . 0.0 112.745 -172.299 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 13.5 p-80 -85.8 3.54 41.04 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.581 -1.19 . . . . 0.0 108.793 174.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -65.45 129.64 29.89 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.739 0 CA-C-N 114.847 -1.07 . . . . 0.0 111.644 -172.53 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . 0.579 ' O ' ' HD1' ' B' ' 76' ' ' TRP . 0.2 OUTLIER -55.13 140.71 12.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 113.8 -1.545 . . . . 0.0 109.397 169.836 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . 0.59 ' O ' ' HG ' ' B' ' 75' ' ' LEU . 2.6 pt? -55.72 94.9 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 121.83 0.824 . . . . 0.0 110.81 179.474 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 76' ' ' TRP . . . . . 0.579 ' HD1' ' O ' ' B' ' 74' ' ' VAL . 12.1 m95 -81.3 110.29 16.61 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.166 -179.441 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 28.8 p -101.93 176.17 5.3 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.151 177.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -58.2 -41.54 94.85 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 121.255 -0.498 . . . . 0.0 112.847 -177.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . 0.655 ' O ' ' HG3' ' B' ' 83' ' ' GLU . 8.0 p-10 -65.93 -47.03 76.07 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.599 -0.148 . . . . 0.0 110.599 179.214 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -62.56 -39.23 92.97 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 121.003 0.43 . . . . 0.0 111.05 -179.337 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -66.59 -39.39 88.38 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.777 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -66.56 -43.21 85.67 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.185 176.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . 0.655 ' HG3' ' O ' ' B' ' 79' ' ' ASP . 86.1 mt-10 -56.35 -60.4 3.57 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.364 0.602 . . . . 0.0 111.578 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . 0.495 HD11 ' O ' ' B' ' 84' ' ' LEU . 2.7 tp -77.84 -25.54 48.8 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.605 -168.274 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . 0.603 ' O ' ' HG3' ' B' ' 89' ' ' GLU . 28.8 tt0 -61.75 -45.16 95.12 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.036 177.506 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -77.11 -43.95 32.29 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.488 -178.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 6.8 tp -59.13 -41.81 89.13 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.141 -177.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -56.99 -49.9 74.34 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.785 176.087 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.603 ' HG3' ' O ' ' B' ' 85' ' ' GLN . 51.7 mt-10 -58.03 -38.15 75.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.147 0.499 . . . . 0.0 111.206 -178.481 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -75.63 -39.86 57.16 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.471 -0.786 . . . . 0.0 112.058 -172.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -92.7 13.17 20.9 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 -173.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 18.4 mtm180 -68.69 -16.07 63.71 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 121.62 0.724 . . . . 0.0 109.472 174.22 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -69.97 -17.53 63.31 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.646 -1.161 . . . . 0.0 111.346 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 53.5 p -103.96 157.09 17.34 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 121.081 -0.248 . . . . 0.0 110.634 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 95' ' ' ASP . . . . . 0.489 ' HA ' ' HB3' ' B' ' 132' ' ' LYS . 4.1 p-10 -61.14 -30.99 70.72 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 -171.44 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -130.39 100.29 5.31 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.091 0.472 . . . . 0.0 109.951 176.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 97' ' ' VAL . . . . . 0.677 ' O ' HG12 ' B' ' 101' ' ' ILE . 9.7 p -65.77 -45.08 92.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.427 -175.371 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . 0.49 ' HB2' ' NH1' ' B' ' 111' ' ' ARG . 4.5 mp -69.33 -30.14 68.12 Favored 'General case' 0 CA--C 1.522 -0.131 0 CA-C-O 120.457 0.17 . . . . 0.0 111.248 -173.549 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 99' ' ' GLY . . . . . 0.495 ' O ' ' HG2' ' B' ' 103' ' ' LYS . . . -61.8 -43.22 99.52 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.459 -0.877 . . . . 0.0 111.113 175.689 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -73.29 -26.83 61.24 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.888 0.375 . . . . 0.0 110.004 178.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 101' ' ' ILE . . . . . 0.677 HG12 ' O ' ' B' ' 97' ' ' VAL . 37.4 mm -59.03 -62.1 1.16 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.26 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.578 175.524 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 102' ' ' MET . . . . . 0.623 ' HE2' ' O ' ' B' ' 109' ' ' ARG . 56.3 mtt -56.52 -37.38 70.35 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.406 -174.459 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 103' ' ' LYS . . . . . 0.495 ' HG2' ' O ' ' B' ' 99' ' ' GLY . 75.2 mmtt -72.87 -36.83 67.47 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.213 -177.779 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -88.74 -27.6 21.07 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 -174.144 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 105' ' ' ILE . . . . . 0.511 HG23 ' O ' ' B' ' 101' ' ' ILE . 11.2 tp -91.68 157.33 2.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.617 0.722 . . . . 0.0 111.32 -176.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 106' ' ' THR . . . . . 0.425 ' N ' HG13 ' B' ' 105' ' ' ILE . 12.1 t -74.2 -33.23 63.34 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 114.984 -1.007 . . . . 0.0 112.218 -174.41 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -99.96 129.88 46.08 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 122.196 -0.315 . . . . 0.0 111.085 -177.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.11 101.12 7.72 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.173 0.511 . . . . 0.0 109.7 175.539 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 109' ' ' ARG . . . . . 0.623 ' O ' ' HE2' ' B' ' 102' ' ' MET . 58.2 mtt180 -110.25 121.02 44.3 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.536 -177.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 1.2 m -60.01 157.29 13.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 123.668 0.605 . . . . 0.0 111.475 -175.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 111' ' ' ARG . . . . . 0.49 ' NH1' ' HB2' ' B' ' 98' ' ' LEU . 12.2 mmt180 -54.05 -46.97 72.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.542 -177.503 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.82 -24.37 67.72 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.481 -177.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . 0.487 ' HD3' HG13 ' B' ' 74' ' ' VAL . 39.8 mtt180 -75.96 -50.03 16.06 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 178.483 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 62.9 mt -60.28 -54.96 27.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.848 -178.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 115' ' ' VAL . . . . . 0.541 ' O ' HD23 ' B' ' 119' ' ' LEU . 19.0 m -64.39 -36.95 78.7 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.25 -174.253 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -67.55 -32.38 73.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.695 0.283 . . . . 0.0 110.695 179.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 23.9 tptp -79.99 -33.58 39.24 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.085 -179.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 1.7 mp -59.45 -48.44 81.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.048 0.452 . . . . 0.0 110.752 176.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 119' ' ' LEU . . . . . 0.541 HD23 ' O ' ' B' ' 115' ' ' VAL . 4.4 mm? -63.06 -33.11 74.73 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.601 178.327 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.14 -30.74 58.28 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.045 -177.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 98.5 mt -79.35 -24.33 42.79 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.317 0.579 . . . . 0.0 110.245 174.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 79.36 34.64 31.87 Favored Glycine 0 N--CA 1.442 -0.952 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 -174.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 66.6 mt -79.83 -26.91 40.31 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-O 121.52 0.676 . . . . 0.0 109.427 178.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 124' ' ' VAL . . . . . 0.697 ' HA ' ' OG ' ' B' ' 141' ' ' SER . 30.4 m -140.42 162.31 24.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 114.476 -1.238 . . . . 0.0 109.582 176.734 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -95.98 -7.39 36.56 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.368 178.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -175.0 174.9 2.4 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.426 -174.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 127' ' ' ARG . . . . . 0.586 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 46.2 mtm180 -78.28 -26.41 47.07 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 -176.008 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 128' ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 -61.42 -27.86 68.85 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 120.888 0.375 . . . . 0.0 111.005 -176.051 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -68.5 -26.97 65.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.532 -175.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 130' ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' B' ' 127' ' ' ARG . 0.1 OUTLIER -100.16 16.29 24.64 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.493 -177.623 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 131' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -123.53 95.99 4.8 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 174.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . 0.489 ' HB3' ' HA ' ' B' ' 95' ' ' ASP . 48.0 tptt -76.41 67.54 2.63 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.138 -177.573 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -109.07 172.6 6.75 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.696 -178.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 134' ' ' ARG . . . . . 0.612 ' HD3' ' O ' ' B' ' 134' ' ' ARG . 4.2 tmt_? -64.96 85.99 0.05 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.514 0.674 . . . . 0.0 109.824 174.502 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 135' ' ' GLN . . . . . 0.431 ' HG3' ' O ' ' B' ' 136' ' ' LYS . 29.8 pt20 -132.32 171.43 13.73 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.084 174.651 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 136' ' ' LYS . . . . . 0.431 ' O ' ' HG3' ' B' ' 135' ' ' GLN . 51.3 pttt -60.72 179.96 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 172.315 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -62.47 146.3 51.92 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.148 -0.621 . . . . 0.0 110.622 -176.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 54.7 mt -52.43 152.85 3.27 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 115.053 -0.976 . . . . 0.0 111.336 178.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . -80.93 -160.17 0.3 Allowed 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.327 -179.026 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 15.6 t -92.84 82.68 4.7 Favored 'General case' 0 N--CA 1.446 -0.651 0 C-N-CA 120.219 -0.592 . . . . 0.0 109.61 177.405 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 141' ' ' SER . . . . . 0.697 ' OG ' ' HA ' ' B' ' 124' ' ' VAL . 22.7 t . . . . . 0 C--O 1.246 0.88 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.913 176.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . 0.555 ' HB2' ' HD2' ' B' ' 2' ' ' PRO . 2.7 p30 . . . . . 0 N--CA 1.484 1.26 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . 0.555 ' HD2' ' HB2' ' B' ' 1' ' ' ASP . 2.9 Cg_exo -37.22 -45.0 1.39 Allowed 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 124.234 3.289 . . . . 0.0 114.424 175.418 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -85.73 -43.6 13.24 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.051 0.453 . . . . 0.0 110.774 -177.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . 0.547 ' HA ' ' CB ' ' B' ' 44' ' ' PRO . 80.8 mtt85 -88.79 99.33 12.29 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.582 0.706 . . . . 0.0 112.163 -174.5 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . 0.402 ' NE ' ' H ' ' B' ' 6' ' ' ALA . 0.0 OUTLIER -88.9 146.69 24.78 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 106.987 -1.486 . . . . 0.0 106.987 168.407 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . 0.402 ' H ' ' NE ' ' B' ' 5' ' ' ARG . . . -63.84 146.82 96.81 Favored Pre-proline 0 C--N 1.323 -0.574 0 C-N-CA 120.444 -0.502 . . . . 0.0 111.095 -177.176 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . 0.436 ' HB3' ' NE ' ' B' ' 45' ' ' ARG . 1.6 Cg_endo -43.77 128.96 7.1 Favored 'Trans proline' 0 N--CA 1.472 0.236 0 C-N-CA 124.956 3.77 . . . . 0.0 115.979 -172.189 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 40.4 p -127.77 96.75 4.6 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.04 -0.982 . . . . 0.0 108.53 168.224 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' TRP . . . . . 0.746 ' HZ2' ' NH1' ' B' ' 45' ' ' ARG . 96.4 m95 -96.96 152.61 18.54 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 113.196 0.813 . . . . 0.0 113.196 -168.757 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' SER . . . . . 0.403 ' OG ' ' HB2' ' B' ' 13' ' ' GLU . 5.2 p -127.15 163.03 44.5 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 114.282 -1.326 . . . . 0.0 109.484 175.052 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -49.86 -55.11 4.44 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 122.898 2.398 . . . . 0.0 113.814 -175.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -62.62 -38.66 91.09 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.364 0.602 . . . . 0.0 110.057 -179.208 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.465 ' HG2' ' CZ3' ' B' ' 9' ' ' TRP . 35.0 tt0 -59.09 -44.41 91.92 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.035 -0.984 . . . . 0.0 111.614 -173.467 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -74.38 -25.39 59.46 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.764 0.316 . . . . 0.0 111.113 178.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.29 -39.66 74.75 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.376 0.608 . . . . 0.0 109.6 174.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.455 ' HA ' ' CB ' ' B' ' 19' ' ' GLU . 21.4 t-160 -66.97 -26.16 66.68 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.166 -0.924 . . . . 0.0 110.237 174.525 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.467 HD13 HG23 ' B' ' 50' ' ' ILE . 37.4 tp -65.4 -48.81 71.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.411 0.624 . . . . 0.0 109.334 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . 0.781 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 37.5 ptt180 -75.48 -30.58 59.95 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 115.657 -0.702 . . . . 0.0 109.408 176.248 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . 0.455 ' CB ' ' HA ' ' B' ' 16' ' ' HIS . 10.3 tp10 -51.69 -53.48 38.66 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.853 0.835 . . . . 0.0 110.26 179.189 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.39 -31.0 69.1 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.825 -1.079 . . . . 0.0 111.342 -177.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 57.1 t80 -67.8 -49.69 60.94 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.173 179.052 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.781 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 53.3 mt -57.98 -25.16 60.67 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.386 -0.824 . . . . 0.0 111.183 -178.683 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.99 -52.39 7.89 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.973 0.416 . . . . 0.0 111.815 178.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -90.64 -4.19 56.98 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 113.01 0.745 . . . . 0.0 113.01 -169.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -62.91 -24.14 67.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.132 0.491 . . . . 0.0 110.65 178.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -75.03 -22.61 58.34 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.031 -177.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 17.5 t -78.98 107.39 11.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.22 -0.445 . . . . 0.0 109.866 -177.172 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -87.11 139.83 30.17 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.367 -177.179 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.29 -0.0 80.64 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.841 -0.695 . . . . 0.0 111.556 -178.263 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . 0.406 ' NE2' ' HB2' ' B' ' 35' ' ' ALA . 23.0 tt0 -108.31 145.36 34.54 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.139 0.495 . . . . 0.0 111.121 178.588 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -69.14 102.79 1.74 Allowed 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 167.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . 0.447 HG12 ' O ' ' B' ' 66' ' ' PHE . 7.9 p -70.47 -26.55 29.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.515 -176.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . 0.72 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 0.3 OUTLIER -63.7 -51.83 65.08 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.536 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 -179.402 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.594 ' HA ' ' CD1' ' B' ' 37' ' ' LEU . 37.6 mt-10 -60.1 -33.65 72.4 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.885 178.056 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . 0.406 ' HB2' ' NE2' ' B' ' 30' ' ' GLN . . . -57.32 -45.85 83.82 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.425 0.631 . . . . 0.0 109.815 174.345 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.559 ' O ' ' HG ' ' B' ' 40' ' ' LEU . 35.6 mt -70.6 -64.16 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.216 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.72 ' HG ' ' O ' ' B' ' 33' ' ' VAL . 2.3 pp -65.39 -23.92 67.09 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 -169.601 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . 0.449 ' N ' HD11 ' B' ' 37' ' ' LEU . . . -89.17 -33.17 17.13 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -178.285 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 37.8 m-70 -75.77 -29.68 58.87 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.44 -0.504 . . . . 0.0 110.942 -177.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.578 ' O ' HD11 ' B' ' 40' ' ' LEU . 2.0 pp -97.2 127.36 43.09 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 120.289 -0.564 . . . . 0.0 110.463 172.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' ASN . . . . . 0.496 HD21 ' H ' ' B' ' 41' ' ' ASN . 0.1 OUTLIER -109.54 37.03 2.74 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.833 0.825 . . . . 0.0 109.36 177.31 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 9.0 t -88.56 -33.72 17.62 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.963 -1.017 . . . . 0.0 110.827 -176.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . 0.439 HG13 ' CH2' ' B' ' 9' ' ' TRP . 14.5 p -143.36 134.29 12.48 Favored Pre-proline 0 N--CA 1.451 -0.395 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.915 -176.687 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . 0.547 ' CB ' ' HA ' ' B' ' 4' ' ' ARG . 3.0 Cg_exo -75.94 121.51 6.26 Favored 'Trans proline' 0 CA--C 1.53 0.298 0 C-N-CA 122.716 2.277 . . . . 0.0 110.991 171.682 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.828 ' CZ ' ' HB3' ' B' ' 49' ' ' GLN . 17.5 mmm-85 -134.13 177.69 7.55 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-O 121.843 0.83 . . . . 0.0 111.664 -177.527 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 5.9 p -103.77 159.19 15.84 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 113.66 -1.609 . . . . 0.0 107.74 168.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . 0.439 ' O ' HG13 ' B' ' 51' ' ' ILE . 7.6 mpt_? -55.36 -41.84 73.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.38 0.609 . . . . 0.0 109.458 176.127 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -56.98 -50.58 72.26 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.78 -1.1 . . . . 0.0 111.287 177.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.828 ' HB3' ' CZ ' ' B' ' 45' ' ' ARG . 13.2 mm-40 -57.03 -40.26 76.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.54 -0.755 . . . . 0.0 112.82 -176.406 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . 0.561 HD11 HH11 ' B' ' 45' ' ' ARG . 11.4 mm -66.69 -52.05 49.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.245 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . 0.536 HG12 ' CD2' ' B' ' 66' ' ' PHE . 67.5 mt -57.03 -41.97 78.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.116 -0.947 . . . . 0.0 109.48 -178.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -56.41 -54.86 40.61 Favored 'General case' 0 C--O 1.218 -0.568 0 CA-C-N 114.916 -1.038 . . . . 0.0 112.707 -176.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' HIS . . . . . 0.423 ' O ' ' HB2' ' B' ' 57' ' ' MET . 31.3 m-70 -58.65 -31.55 68.26 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 118.432 0.56 . . . . 0.0 111.824 -179.386 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . 0.413 ' HB3' HD12 ' B' ' 59' ' ' LEU . 40.5 mt -83.99 -46.5 11.99 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.565 -171.108 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . 0.437 HG23 ' O ' ' B' ' 51' ' ' ILE . 33.8 m -70.81 -24.65 25.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.222 0.534 . . . . 0.0 110.275 176.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -81.84 -18.55 43.52 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.069 177.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.423 ' HB2' ' O ' ' B' ' 53' ' ' HIS . 30.0 ttm -85.24 -2.58 58.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.049 0.452 . . . . 0.0 110.268 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 81.24 -2.65 80.83 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 121.049 -0.596 . . . . 0.0 112.79 176.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . 0.413 HD12 ' HB3' ' B' ' 54' ' ' LEU . 4.1 pp -83.51 -17.55 41.52 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.282 0.563 . . . . 0.0 110.305 -179.664 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -133.02 155.91 48.33 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.241 -0.891 . . . . 0.0 109.457 174.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -85.62 -62.62 1.49 Allowed 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.341 -178.037 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 33.8 t -150.82 177.34 10.2 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.043 0.449 . . . . 0.0 111.314 -174.062 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 89.7 t -55.76 -26.8 20.97 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.657 177.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 17.2 pttm -55.31 -37.38 67.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.759 178.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -80.6 -7.68 59.35 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.096 -0.956 . . . . 0.0 111.205 -176.384 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' PHE . . . . . 0.536 ' CD2' HG12 ' B' ' 51' ' ' ILE . 4.7 m-85 -105.12 -50.2 3.3 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 -172.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -160.04 24.61 0.17 Allowed 'General case' 0 N--CA 1.443 -0.797 0 C-N-CA 120.057 -0.657 . . . . 0.0 111.254 -168.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 9.9 mtt180 -132.35 145.75 51.48 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.411 0.624 . . . . 0.0 112.298 -174.078 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -103.05 -6.27 22.48 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 163.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -90.82 130.25 10.18 Favored Glycine 0 N--CA 1.444 -0.825 0 CA-C-N 114.359 -1.291 . . . . 0.0 112.555 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' THR . . . . . 0.42 ' CB ' HH12 ' B' ' 113' ' ' ARG . 0.8 OUTLIER -120.96 173.18 7.41 Favored 'General case' 0 C--N 1.318 -0.799 0 C-N-CA 122.139 0.176 . . . . 0.0 110.99 -179.713 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 26.2 p-80 -60.42 116.66 4.46 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 107.27 -1.382 . . . . 0.0 107.27 166.172 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . 0.471 HG12 ' NH1' ' B' ' 113' ' ' ARG . 0.7 OUTLIER -126.02 127.81 71.33 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.303 0 C-N-CA 119.839 -0.745 . . . . 0.0 112.357 -171.241 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . 0.401 ' O ' HG21 ' B' ' 73' ' ' ILE . 11.2 m -75.71 149.16 6.94 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.846 0 CA-C-N 114.208 -1.36 . . . . 0.0 108.016 172.325 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.11 95.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.339 0.59 . . . . 0.0 111.922 -175.271 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 76' ' ' TRP . . . . . 0.687 ' CE3' ' HG2' ' B' ' 80' ' ' GLN . 73.8 m95 -94.45 108.85 20.76 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.201 0.524 . . . . 0.0 110.366 179.772 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 46.8 p -103.34 176.03 5.28 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.432 174.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -60.03 -40.35 96.92 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.254 -0.974 . . . . 0.0 110.813 172.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -58.84 -59.37 5.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.066 -0.567 . . . . 0.0 110.916 176.45 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 80' ' ' GLN . . . . . 0.687 ' HG2' ' CE3' ' B' ' 76' ' ' TRP . 34.4 tt0 -57.77 -43.01 85.21 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.608 -175.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -67.61 -43.24 80.92 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.777 -177.132 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 21.3 tp -68.35 -38.07 81.1 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.912 177.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -61.73 -46.37 89.94 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.377 -177.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . 0.565 HD11 ' NH1' ' B' ' 109' ' ' ARG . 10.3 tt -67.29 -35.98 80.58 Favored 'General case' 0 C--O 1.224 -0.279 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 177.321 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . 0.412 ' HG2' HD22 ' B' ' 123' ' ' LEU . 1.0 OUTLIER -55.39 -52.42 63.61 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 123.343 0.402 . . . . 0.0 110.201 178.46 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 71.7 mtm180 -66.84 -36.68 82.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.486 -179.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 20.4 tp -70.55 -44.86 66.58 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.749 -177.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.67 ' O ' ' HB2' ' B' ' 92' ' ' ARG . 8.1 t80 -45.92 -47.12 16.36 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.756 175.187 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -64.72 -44.38 90.38 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.45 0.643 . . . . 0.0 111.25 -179.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -72.68 -42.56 64.14 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.135 -0.939 . . . . 0.0 112.297 -169.083 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -98.44 17.63 18.47 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.842 0.353 . . . . 0.0 111.306 -179.089 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 92' ' ' ARG . . . . . 0.67 ' HB2' ' O ' ' B' ' 88' ' ' PHE . 46.7 ttt180 -75.31 -11.69 60.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.652 -179.17 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -73.65 6.3 3.24 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.785 0.802 . . . . 0.0 110.519 177.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 94' ' ' SER . . . . . 0.409 ' H ' ' C ' ' B' ' 92' ' ' ARG . 4.8 m -103.07 160.97 14.16 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 178.769 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 95' ' ' ASP . . . . . 0.405 ' HA ' ' HG2' ' B' ' 132' ' ' LYS . 5.9 t70 -65.85 -48.44 71.62 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.183 0.516 . . . . 0.0 109.833 -179.027 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -105.06 99.57 9.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.432 170.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 97' ' ' VAL . . . . . 0.485 ' O ' HG13 ' B' ' 101' ' ' ILE . 10.2 p -64.67 -39.69 86.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 C-N-CA 120.333 -0.547 . . . . 0.0 110.076 178.714 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . 0.751 ' O ' ' HG3' ' B' ' 102' ' ' MET . 3.2 mp -58.87 -41.14 86.36 Favored 'General case' 0 C--O 1.22 -0.462 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.279 179.709 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -53.37 -44.63 66.05 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 121.211 -0.519 . . . . 0.0 113.093 -178.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 64.8 m-70 -81.17 -25.0 37.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.859 0.362 . . . . 0.0 110.46 -179.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 101' ' ' ILE . . . . . 0.485 HG13 ' O ' ' B' ' 97' ' ' VAL . 57.2 mt -61.28 -56.82 15.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.979 172.001 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 102' ' ' MET . . . . . 0.751 ' HG3' ' O ' ' B' ' 98' ' ' LEU . 18.6 mtp -64.37 -27.67 69.17 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.167 0.508 . . . . 0.0 110.309 -175.156 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -75.38 -44.3 45.57 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.502 -176.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -105.07 0.47 27.57 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -169.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 105' ' ' ILE . . . . . 0.445 HG13 ' N ' ' B' ' 106' ' ' THR . 11.1 tp -91.48 158.83 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.265 0.555 . . . . 0.0 110.89 -177.738 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 106' ' ' THR . . . . . 0.445 ' N ' HG13 ' B' ' 105' ' ' ILE . 6.5 t -71.45 -36.74 71.33 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.243 -0.89 . . . . 0.0 111.822 -176.119 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . 0.588 ' HB1' ' NH2' ' B' ' 109' ' ' ARG . . . -98.52 127.56 44.5 Favored 'General case' 0 CA--C 1.509 -0.596 0 CA-C-O 120.811 0.338 . . . . 0.0 110.445 -178.555 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 10.6 mmmm -90.01 107.63 19.24 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 -178.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 109' ' ' ARG . . . . . 0.588 ' NH2' ' HB1' ' B' ' 107' ' ' ALA . 10.2 ptp85 -132.6 169.17 17.01 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.958 -173.46 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 110' ' ' SER . . . . . 0.432 ' O ' HG13 ' B' ' 114' ' ' ILE . 2.0 m -94.06 161.56 14.23 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.612 0.244 . . . . 0.0 111.096 -176.514 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 89.9 mtt180 -68.57 -43.78 75.84 Favored 'General case' 0 CA--C 1.513 -0.476 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -175.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -56.51 -30.34 62.9 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.649 0.738 . . . . 0.0 110.361 -179.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . 0.471 ' NH1' HG12 ' B' ' 73' ' ' ILE . 0.0 OUTLIER -79.68 -34.72 40.04 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.043 179.633 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 114' ' ' ILE . . . . . 0.432 HG13 ' O ' ' B' ' 110' ' ' SER . 98.8 mt -71.79 -43.62 69.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.566 178.398 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 115' ' ' VAL . . . . . 0.439 ' O ' HD21 ' B' ' 119' ' ' LEU . 25.5 t -52.9 -54.61 15.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.038 -0.983 . . . . 0.0 111.544 -179.641 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -58.95 -35.84 73.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.108 0.48 . . . . 0.0 110.63 178.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . 0.512 ' O ' HD12 ' B' ' 121' ' ' LEU . 14.8 tppt? -63.63 -36.33 83.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.926 -179.736 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 21.1 mt -64.63 -45.52 86.48 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 121.095 0.474 . . . . 0.0 110.424 176.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 119' ' ' LEU . . . . . 0.439 HD21 ' O ' ' B' ' 115' ' ' VAL . 4.4 mm? -62.87 -31.37 72.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.592 -179.137 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -74.2 -39.56 63.08 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.274 -0.875 . . . . 0.0 111.061 -178.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 121' ' ' LEU . . . . . 0.512 HD12 ' O ' ' B' ' 117' ' ' LYS . 9.8 mp -75.33 -25.83 58.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.108 0.48 . . . . 0.0 110.91 175.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 80.98 31.62 34.69 Favored Glycine 0 N--CA 1.444 -0.823 0 C-N-CA 120.728 -0.749 . . . . 0.0 111.455 -172.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . 0.435 ' HB3' ' CE1' ' B' ' 88' ' ' PHE . 69.3 mt -76.04 -24.21 55.17 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-O 121.849 0.833 . . . . 0.0 109.065 176.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 124' ' ' VAL . . . . . 0.524 HG21 ' CD2' ' B' ' 130' ' ' LEU . 34.1 m -137.63 174.84 10.5 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 114.219 -1.355 . . . . 0.0 109.397 175.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -114.31 -7.43 12.94 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.157 0.503 . . . . 0.0 110.632 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 126' ' ' GLU . . . . . 0.503 ' O ' HD22 ' B' ' 130' ' ' LEU . 13.8 pt-20 -171.15 174.53 4.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.376 -175.264 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 127' ' ' ARG . . . . . 0.67 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 12.0 mpt_? -77.84 -21.08 51.99 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.796 0.332 . . . . 0.0 111.522 -179.615 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 128' ' ' ARG . . . . . . . . . . . . . 6.0 ttm180 -58.48 -34.62 71.09 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.288 0.566 . . . . 0.0 111.053 -179.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -84.93 -5.79 59.34 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.393 -0.821 . . . . 0.0 112.632 -170.195 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 130' ' ' LEU . . . . . 0.67 ' HG ' ' O ' ' B' ' 127' ' ' ARG . 0.3 OUTLIER -82.81 -12.86 57.13 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.576 0.703 . . . . 0.0 109.585 -176.423 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 131' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -123.11 111.53 16.64 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 -179.147 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . 0.405 ' HG2' ' HA ' ' B' ' 95' ' ' ASP . 17.9 pttm -55.11 128.1 32.2 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.705 0.764 . . . . 0.0 110.769 -168.548 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -123.79 166.8 14.98 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.293 -0.867 . . . . 0.0 108.85 -177.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 134' ' ' ARG . . . . . 0.533 ' HD2' ' N ' ' B' ' 134' ' ' ARG . 0.5 OUTLIER -77.2 91.52 3.75 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.516 0.674 . . . . 0.0 109.58 173.475 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -67.25 169.74 8.27 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.63 -1.168 . . . . 0.0 110.887 -176.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 63.3 pttt -67.95 -172.47 0.29 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.071 175.014 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 137' ' ' LYS . . . . . 0.621 ' HE2' ' O ' ' B' ' 137' ' ' LYS . 0.0 OUTLIER -74.07 80.56 1.73 Allowed 'General case' 0 C--O 1.223 -0.337 0 CA-C-O 121.988 0.899 . . . . 0.0 110.197 178.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 12.7 tp -146.19 168.02 22.04 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 121.033 -1.042 . . . . 0.0 109.984 176.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . -63.66 141.93 58.58 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 173.205 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 14.9 m -53.24 128.33 27.68 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 177.255 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 141' ' ' SER . . . . . . . . . . . . . 47.7 t . . . . . 0 C--O 1.253 1.242 0 CA-C-O 118.726 -0.654 . . . . 0.0 109.649 -170.162 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . 0.418 ' HA ' ' HD3' ' B' ' 2' ' ' PRO . 1.3 m-20 . . . . . 0 N--CA 1.481 1.083 0 CA-C-O 120.554 0.216 . . . . 0.0 110.809 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' B' ' 1' ' ' ASP . 6.9 Cg_exo -74.69 -22.7 15.26 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.718 2.279 . . . . 0.0 112.066 177.124 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 12.8 p -83.92 43.94 0.96 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.921 -0.582 . . . . 0.0 112.471 -172.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 78.2 mtm180 -99.44 -165.43 1.23 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 176.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 20.7 tpp180 -41.25 108.36 0.09 Allowed 'General case' 0 N--CA 1.467 0.413 0 O-C-N 123.588 0.555 . . . . 0.0 111.993 -179.058 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.06 135.71 93.99 Favored Pre-proline 0 C--O 1.236 0.368 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.99 179.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . 0.4 ' HG2' HG11 ' B' ' 43' ' ' VAL . 5.6 Cg_endo -51.46 146.28 25.99 Favored 'Trans proline' 0 C--O 1.236 0.417 0 C-N-CA 123.502 2.801 . . . . 0.0 113.257 179.218 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 29.8 m -65.42 129.38 39.53 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.54 172.123 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' TRP . . . . . 0.45 ' CE3' ' HG2' ' B' ' 13' ' ' GLU . 90.6 m95 -53.12 119.52 4.81 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-O 121.239 0.542 . . . . 0.0 111.532 -175.739 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 6.9 m -95.78 162.26 24.78 Favored Pre-proline 0 C--N 1.318 -0.778 0 CA-C-N 115.213 -0.903 . . . . 0.0 109.924 -177.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -44.21 -55.72 2.98 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 123.263 2.642 . . . . 0.0 114.024 -176.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -69.91 -29.27 66.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.088 0.471 . . . . 0.0 110.673 -177.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.45 ' HG2' ' CE3' ' B' ' 9' ' ' TRP . 15.2 tt0 -71.48 -42.53 67.97 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.341 -176.403 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . 0.403 ' CG ' ' HB3' ' B' ' 9' ' ' TRP . 45.7 mt-10 -66.46 -36.18 82.13 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.416 175.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . 0.495 ' O ' ' HG2' ' B' ' 18' ' ' ARG . . . -69.21 -42.83 75.21 Favored 'General case' 0 C--O 1.218 -0.554 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.527 178.31 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.404 ' HA ' ' CB ' ' B' ' 19' ' ' GLU . 13.5 t-160 -60.66 -29.51 69.33 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.385 175.459 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 20.0 tp -63.24 -50.67 69.3 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.183 177.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . 0.697 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 33.5 ptt180 -70.46 -35.45 73.33 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 175.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . 0.404 ' CB ' ' HA ' ' B' ' 16' ' ' HIS . 17.5 tp10 -48.65 -51.9 25.94 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.595 0.712 . . . . 0.0 110.731 -178.728 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.436 HD23 ' ND2' ' B' ' 24' ' ' ASN . 0.3 OUTLIER -69.07 -36.14 77.3 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.618 -1.174 . . . . 0.0 111.579 -177.58 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -68.21 -52.2 36.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.135 0.493 . . . . 0.0 110.095 -179.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.697 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 45.6 mt -59.02 -24.71 63.05 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.319 -176.037 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -84.05 -57.04 3.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.732 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' ASN . . . . . 0.436 ' ND2' HD23 ' B' ' 20' ' ' LEU . 35.3 m-80 -88.58 7.04 35.25 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -170.588 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -69.53 -18.94 63.71 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 111.75 0.278 . . . . 0.0 111.75 -178.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -95.37 4.77 53.04 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.736 0.303 . . . . 0.0 111.339 -175.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 37.7 t -88.26 119.12 35.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 179.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -92.92 138.08 31.8 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.894 -173.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.02 9.04 83.13 Favored Glycine 0 CA--C 1.509 -0.296 0 N-CA-C 111.355 -0.698 . . . . 0.0 111.355 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -118.8 149.73 41.0 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.21 -0.495 . . . . 0.0 110.341 -176.524 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -82.24 104.0 12.24 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 172.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . 0.548 ' O ' HG13 ' B' ' 36' ' ' ILE . 9.8 p -61.56 -32.19 52.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 178.514 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . 0.746 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 2.0 t -58.85 -57.25 12.06 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 CA-C-N 115.114 -0.948 . . . . 0.0 110.126 176.77 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.447 ' HA ' HD13 ' B' ' 37' ' ' LEU . 4.2 tm-20 -54.19 -40.28 67.43 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.769 -178.556 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.27 -50.43 73.63 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.28 178.267 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.548 HG13 ' O ' ' B' ' 32' ' ' VAL . 45.2 mt -65.8 -55.81 17.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.089 -178.774 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.746 ' HG ' ' O ' ' B' ' 33' ' ' VAL . 10.5 mt -49.59 -42.34 44.31 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 123.68 0.612 . . . . 0.0 111.326 -175.537 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.91 -35.49 16.47 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 -170.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' HIS . . . . . 0.413 ' CB ' HD13 ' B' ' 20' ' ' LEU . 36.0 m-70 -78.12 -10.55 59.68 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.445 -0.502 . . . . 0.0 111.999 -173.177 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.437 ' C ' ' H ' ' B' ' 42' ' ' THR . 0.7 OUTLIER -114.89 80.76 1.46 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.887 0.851 . . . . 0.0 110.967 170.548 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -82.33 39.4 0.59 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.785 0.802 . . . . 0.0 110.252 179.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' THR . . . . . 0.437 ' H ' ' C ' ' B' ' 40' ' ' LEU . 6.1 t -94.73 -10.87 30.31 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 114.821 -1.082 . . . . 0.0 109.143 176.815 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . 0.4 HG11 ' HG2' ' B' ' 7' ' ' PRO . 12.7 m -136.43 125.09 15.3 Favored Pre-proline 0 N--CA 1.452 -0.332 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.27 -178.315 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -76.66 89.13 1.31 Allowed 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 122.347 2.032 . . . . 0.0 110.374 169.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 14.7 mtt85 -136.27 170.17 16.46 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.093 0.473 . . . . 0.0 111.812 -173.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 14.5 t -109.0 -173.36 2.25 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.162 -178.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 17.7 mmt180 -61.9 -49.76 74.91 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.879 -174.197 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt -54.97 -38.87 68.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.036 -0.984 . . . . 0.0 112.064 -175.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.74 -62.35 1.8 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.894 -175.711 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . 0.495 ' HB ' HD21 ' B' ' 37' ' ' LEU . 1.9 mp -59.8 -47.91 89.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.09 -176.309 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . 0.468 HD13 ' HG2' ' B' ' 67' ' ' GLN . 94.6 mt -53.6 -51.91 38.44 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.401 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.477 -178.17 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -57.08 -44.04 82.73 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.915 -174.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' HIS . . . . . 0.56 ' O ' ' HB2' ' B' ' 57' ' ' MET . 40.9 m-70 -71.51 -22.82 61.73 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.994 -176.532 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 77.7 mt -74.64 -48.52 25.84 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.179 0.514 . . . . 0.0 110.053 179.394 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 9.0 m -73.78 -26.06 21.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.221 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -79.76 -25.24 41.07 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.031 178.001 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.56 ' HB2' ' O ' ' B' ' 53' ' ' HIS . 27.9 ttm -79.59 -9.03 59.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.214 0.531 . . . . 0.0 110.405 -178.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 86.41 -0.34 86.99 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.715 177.015 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 4.5 pp -87.12 -19.88 27.88 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.297 0.57 . . . . 0.0 110.095 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -121.41 169.89 10.18 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.329 -0.85 . . . . 0.0 109.536 174.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -88.41 -66.2 0.94 Allowed 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.637 -0.425 . . . . 0.0 111.415 -177.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 10.7 t -160.56 174.2 14.39 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.174 0.512 . . . . 0.0 111.576 -174.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 79.4 t -62.52 -25.07 37.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.247 179.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . 0.869 ' HA ' ' O ' ' B' ' 68' ' ' ARG . 51.1 mtmt -60.74 -25.69 66.64 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.786 -178.482 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -89.16 -8.19 54.16 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.786 -178.017 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -113.75 -46.24 3.05 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.061 -176.048 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' GLN . . . . . 0.468 ' HG2' HD13 ' B' ' 51' ' ' ILE . 30.7 mm-40 -114.0 -77.26 0.58 Allowed 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -172.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' ARG . . . . . 0.869 ' O ' ' HA ' ' B' ' 64' ' ' LYS . 15.6 ptt180 -130.17 148.78 52.04 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.534 -176.223 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -78.65 64.19 3.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.629 0.728 . . . . 0.0 110.086 175.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -157.12 140.3 7.04 Favored Glycine 0 N--CA 1.438 -1.179 0 N-CA-C 110.6 -1.0 . . . . 0.0 110.6 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 10.5 p -81.12 -166.06 1.06 Allowed 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.201 0.524 . . . . 0.0 111.322 -176.175 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 8.1 p80 -74.0 -3.96 32.43 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.945 174.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . 0.423 HG23 ' O ' ' B' ' 74' ' ' VAL . 0.5 OUTLIER -13.18 120.16 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 N-CA-C 115.231 1.567 . . . . 0.0 115.231 -157.34 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . 0.423 ' O ' HG23 ' B' ' 73' ' ' ILE . 0.9 OUTLIER -54.57 142.93 7.59 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.632 0 CA-C-N 112.996 -1.911 . . . . 0.0 109.5 174.101 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . 0.473 ' O ' HD13 ' B' ' 75' ' ' LEU . 0.4 OUTLIER -48.89 98.05 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.518 0.675 . . . . 0.0 112.805 -177.016 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 76' ' ' TRP . . . . . 0.413 ' NE1' HG13 ' B' ' 74' ' ' VAL . 87.1 m95 -102.2 109.71 21.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.411 176.723 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 77' ' ' THR . . . . . 0.402 ' OG1' ' HB2' ' B' ' 80' ' ' GLN . 60.8 p -109.97 -178.26 3.48 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.676 179.609 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -59.79 -40.05 96.16 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.043 177.214 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -80.88 -42.01 22.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.963 -0.118 . . . . 0.0 111.061 179.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 80' ' ' GLN . . . . . 0.402 ' HB2' ' OG1' ' B' ' 77' ' ' THR . 0.0 OUTLIER -59.59 -32.6 70.53 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.003 0.43 . . . . 0.0 109.874 179.422 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -64.98 -51.71 60.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.458 176.157 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 30.0 tp -60.73 -40.85 93.89 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.99 -178.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . 0.513 ' O ' ' HB2' ' B' ' 87' ' ' LEU . 5.6 mm-40 -59.07 -30.32 67.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.865 179.5 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . 0.45 HD23 ' NH1' ' B' ' 109' ' ' ARG . 3.0 tm? -73.67 -45.96 49.37 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.188 175.38 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -58.2 -55.91 28.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.249 -176.422 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 86' ' ' ARG . . . . . 0.497 ' O ' ' HB2' ' B' ' 90' ' ' GLU . 40.9 mtp180 -57.1 -48.08 79.48 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.362 0.601 . . . . 0.0 110.168 -178.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . 0.53 ' CD2' HG12 ' B' ' 101' ' ' ILE . 17.9 tp -51.68 -54.12 31.56 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.49 -1.232 . . . . 0.0 110.565 177.824 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.593 ' CE2' ' HB3' ' B' ' 123' ' ' LEU . 58.1 t80 -57.95 -67.31 0.35 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.164 -0.926 . . . . 0.0 112.818 179.671 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -61.14 -36.1 78.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.052 0.453 . . . . 0.0 112.207 -169.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . 0.497 ' HB2' ' O ' ' B' ' 86' ' ' ARG . 4.2 mm-40 -80.38 -19.9 45.28 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 -172.019 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -121.25 6.8 10.19 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -178.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 92' ' ' ARG . . . . . 0.594 ' HA ' ' CG1' ' B' ' 97' ' ' VAL . 5.0 ptm180 -76.03 -11.92 60.03 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -172.762 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -70.72 -27.09 63.71 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 121.413 0.625 . . . . 0.0 110.294 178.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 26.3 t -106.97 178.55 4.53 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.163 178.28 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 95' ' ' ASP . . . . . 0.468 ' HB2' ' HD3' ' B' ' 132' ' ' LYS . 20.8 t70 -63.27 -23.7 67.54 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.586 0.708 . . . . 0.0 110.031 175.239 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 96' ' ' ASP . . . . . 0.633 ' HB3' ' CG ' ' B' ' 100' ' ' HIS . 3.1 m-20 -89.4 43.82 1.17 Allowed 'General case' 0 N--CA 1.442 -0.872 0 CA-C-N 115.43 -0.805 . . . . 0.0 112.592 -167.509 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 97' ' ' VAL . . . . . 0.717 ' O ' HG13 ' B' ' 101' ' ' ILE . 0.6 OUTLIER -88.54 -65.55 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 C-N-CA 119.453 -0.899 . . . . 0.0 109.884 157.414 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 5.0 tp -72.88 -48.98 32.73 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 114.733 -1.121 . . . . 0.0 110.701 -167.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 99' ' ' GLY . . . . . 0.598 ' O ' ' HE3' ' B' ' 103' ' ' LYS . . . -59.95 -43.03 98.5 Favored Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.818 -0.706 . . . . 0.0 111.953 175.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . 0.633 ' CG ' ' HB3' ' B' ' 96' ' ' ASP . 2.2 m170 -70.38 -17.6 63.04 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 122.704 -0.292 . . . . 0.0 111.455 -177.722 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 101' ' ' ILE . . . . . 0.784 ' O ' HG21 ' B' ' 105' ' ' ILE . 65.1 mt -61.51 -65.31 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.817 0.818 . . . . 0.0 108.853 170.013 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 102' ' ' MET . . . . . 0.421 ' HE3' ' O ' ' B' ' 109' ' ' ARG . 0.0 OUTLIER -67.31 -14.36 62.84 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 114.737 -1.12 . . . . 0.0 111.74 -174.062 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 103' ' ' LYS . . . . . 0.598 ' HE3' ' O ' ' B' ' 99' ' ' GLY . 0.0 OUTLIER -94.07 -51.36 4.88 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.627 175.059 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -113.6 -4.66 13.45 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 114.653 1.353 . . . . 0.0 114.653 -163.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 105' ' ' ILE . . . . . 0.784 HG21 ' O ' ' B' ' 101' ' ' ILE . 10.5 tp -91.53 157.34 2.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 C-N-CA 118.901 -1.119 . . . . 0.0 110.039 177.1 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 12.3 t -55.76 -29.65 59.94 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.238 -0.892 . . . . 0.0 112.149 -177.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -106.92 127.88 53.82 Favored 'General case' 0 CA--C 1.514 -0.422 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.852 -176.094 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 108' ' ' LYS . . . . . 0.419 ' HD2' ' N ' ' B' ' 108' ' ' LYS . 0.0 OUTLIER -86.22 100.9 12.57 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.641 0.734 . . . . 0.0 109.631 177.447 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 109' ' ' ARG . . . . . 0.45 ' NH1' HD23 ' B' ' 84' ' ' LEU . 43.4 mtt180 -111.07 155.44 22.79 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 114.829 -1.078 . . . . 0.0 109.559 -176.058 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 110' ' ' SER . . . . . 0.497 ' O ' ' HG2' ' B' ' 113' ' ' ARG . 19.8 m -96.82 164.42 12.57 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 177.534 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 111' ' ' ARG . . . . . 0.465 ' O ' HG22 ' B' ' 115' ' ' VAL . 12.8 mmt85 -56.51 -53.06 61.93 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 -172.036 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -55.64 -42.67 75.33 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.662 0.615 . . . . 0.0 112.662 -173.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . 0.497 ' HG2' ' O ' ' B' ' 110' ' ' SER . 9.3 ptp180 -74.35 -27.32 60.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.824 0.345 . . . . 0.0 110.864 -175.132 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 91.4 mt -74.09 -48.06 39.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.5 0.666 . . . . 0.0 109.552 176.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 115' ' ' VAL . . . . . 0.532 ' O ' HD21 ' B' ' 119' ' ' LEU . 79.0 t -57.58 -49.5 80.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 114.662 -1.154 . . . . 0.0 110.863 179.213 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -57.34 -33.24 67.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.056 179.172 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . 0.406 ' O ' HD12 ' B' ' 121' ' ' LEU . 1.0 OUTLIER -73.93 -36.5 64.69 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.879 -177.444 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . 0.44 ' CD2' HD11 ' B' ' 84' ' ' LEU . 25.7 mt -62.13 -42.08 98.89 Favored 'General case' 0 CA--C 1.512 -0.481 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.288 176.68 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 119' ' ' LEU . . . . . 0.532 HD21 ' O ' ' B' ' 115' ' ' VAL . 4.5 mm? -66.54 -23.95 66.3 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.402 -179.695 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -83.81 -44.79 13.99 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.603 -178.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 121' ' ' LEU . . . . . 0.406 HD12 ' O ' ' B' ' 117' ' ' LYS . 10.2 mp -69.58 -24.54 63.7 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-O 121.378 0.609 . . . . 0.0 110.171 173.596 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 74.44 35.34 52.33 Favored Glycine 0 N--CA 1.439 -1.104 0 CA-C-N 115.125 -0.943 . . . . 0.0 111.603 -174.324 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . 0.593 ' HB3' ' CE2' ' B' ' 88' ' ' PHE . 57.8 mt -77.03 -23.33 52.13 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 121.794 0.807 . . . . 0.0 108.865 176.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 124' ' ' VAL . . . . . 0.488 HG23 ' CD2' ' B' ' 130' ' ' LEU . 35.5 m -136.83 166.02 26.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 114.389 -1.278 . . . . 0.0 109.276 173.341 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -108.44 -7.18 15.87 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-O 121.378 0.609 . . . . 0.0 109.75 177.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -166.03 175.68 8.33 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.645 -175.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 127' ' ' ARG . . . . . 0.633 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 0.2 OUTLIER -78.87 -25.68 43.96 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -176.289 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 128' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -53.05 -37.11 61.31 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -71.78 -12.72 61.44 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -172.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 130' ' ' LEU . . . . . 0.633 ' HG ' ' O ' ' B' ' 127' ' ' ARG . 0.1 OUTLIER -111.21 16.07 21.18 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.783 0.325 . . . . 0.0 111.332 -177.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 131' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -123.13 130.95 53.45 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 177.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . 0.468 ' HD3' ' HB2' ' B' ' 95' ' ' ASP . 18.9 pttm -47.23 97.57 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.895 0.855 . . . . 0.0 111.924 -179.703 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -126.71 106.37 9.33 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.17 -0.923 . . . . 0.0 108.554 178.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 134' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -76.78 80.52 3.39 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.791 0.805 . . . . 0.0 110.199 -176.051 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -105.6 161.54 14.28 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 114.369 -1.287 . . . . 0.0 109.31 178.149 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -72.21 176.34 5.28 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 177.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 137' ' ' LYS . . . . . 0.517 ' HD3' ' H ' ' B' ' 137' ' ' LYS . 0.0 OUTLIER -56.66 90.16 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.652 0 CA-C-O 122.175 0.988 . . . . 0.0 112.876 -170.896 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 51.0 tp -139.2 138.02 36.52 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.533 178.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . -86.63 -170.64 3.17 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.301 177.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 35.0 m -70.32 99.73 1.6 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.187 0.518 . . . . 0.0 110.344 178.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 141' ' ' SER . . . . . . . . . . . . . 9.3 t . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.553 -0.737 . . . . 0.0 109.663 -175.706 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 N--CA 1.482 1.138 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -46.97 -67.29 0.12 Allowed 'Trans proline' 0 C--N 1.357 0.987 0 C-N-CA 124.012 3.142 . . . . 0.0 115.537 -168.081 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 38.0 t -78.69 -56.08 4.69 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.941 0.4 . . . . 0.0 111.821 -171.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' B' ' 4' ' ' ARG . 1.5 ptm180 -151.31 -167.2 2.73 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.025 -175.174 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -69.93 131.0 43.74 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 172.197 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.25 152.0 95.74 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.793 179.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -81.18 -178.89 4.63 Favored 'Trans proline' 0 N--CA 1.457 -0.649 0 C-N-CA 122.485 2.124 . . . . 0.0 111.722 178.07 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 5.2 p -99.18 130.99 45.52 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 120.962 0.411 . . . . 0.0 110.755 178.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 81.4 m95 -68.96 144.94 54.01 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.256 -178.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 21.1 p -123.34 154.71 65.75 Favored Pre-proline 0 C--N 1.318 -0.781 0 CA-C-N 115.245 -0.888 . . . . 0.0 108.828 175.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_exo -46.77 -34.87 16.59 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.935 2.423 . . . . 0.0 113.029 179.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -63.37 -55.11 27.1 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.049 0.452 . . . . 0.0 110.786 175.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -68.77 -31.05 69.8 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.628 -174.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -71.61 -34.18 69.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.849 0.357 . . . . 0.0 110.58 177.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.23 -32.07 71.05 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.49 0.662 . . . . 0.0 109.927 174.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.505 ' O ' ' HB3' ' B' ' 19' ' ' GLU . 19.0 t-160 -72.63 -25.72 61.4 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.112 -0.949 . . . . 0.0 110.105 175.07 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.426 ' CD2' ' HB2' ' B' ' 53' ' ' HIS . 28.4 tp -68.63 -49.64 57.59 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.671 177.291 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . 0.739 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 13.3 ptm180 -68.32 -32.63 72.88 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 173.694 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . 0.505 ' HB3' ' O ' ' B' ' 16' ' ' HIS . 14.3 tp10 -49.97 -47.32 52.75 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-O 121.433 0.635 . . . . 0.0 110.254 175.569 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.05 -43.14 93.28 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.436 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 91.1 t80 -70.24 -46.86 63.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.753 -174.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.739 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 48.0 mt -64.06 -25.67 68.21 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.105 -176.51 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.48 -44.35 14.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.822 0.344 . . . . 0.0 111.538 178.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' ASN . . . . . 0.51 ' O ' HG13 ' B' ' 27' ' ' VAL . 35.4 m-80 -92.72 7.51 43.25 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -173.002 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 14.8 ptmm? -84.86 -12.82 52.71 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.442 0.639 . . . . 0.0 109.463 172.201 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -81.25 -20.46 40.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.641 -178.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . 0.51 HG13 ' O ' ' B' ' 24' ' ' ASN . 12.9 p -89.4 138.73 18.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.275 -176.333 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -114.5 140.53 48.66 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.77 179.339 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.41 6.71 65.96 Favored Glycine 0 N--CA 1.449 -0.479 0 N-CA-C 111.315 -0.714 . . . . 0.0 111.315 -177.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -127.21 148.75 50.19 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.249 0.547 . . . . 0.0 111.053 -178.131 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -68.94 112.15 5.42 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.324 172.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . 0.709 ' O ' HG13 ' B' ' 36' ' ' ILE . 8.4 p -69.91 -42.52 79.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 C-N-CA 119.725 -0.79 . . . . 0.0 109.429 174.791 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . 0.743 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 4.9 t -57.54 -59.84 2.82 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.695 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.567 -179.209 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -67.88 -22.71 65.09 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.477 -174.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . 0.456 ' O ' ' HD2' ' B' ' 39' ' ' HIS . . . -62.3 -50.56 71.18 Favored 'General case' 0 CA--C 1.515 -0.4 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 172.39 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.709 HG13 ' O ' ' B' ' 32' ' ' VAL . 49.0 mt -60.9 -54.94 28.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 114.611 -1.177 . . . . 0.0 110.687 178.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.743 ' HG ' ' O ' ' B' ' 33' ' ' VAL . 7.2 mt -53.69 -29.98 41.44 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.033 -178.141 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.91 -41.98 12.1 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 -172.169 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' HIS . . . . . 0.456 ' HD2' ' O ' ' B' ' 35' ' ' ALA . 47.4 m-70 -74.47 -29.09 61.31 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-O 121.027 0.441 . . . . 0.0 110.348 -173.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.401 ' C ' ' H ' ' B' ' 42' ' ' THR . 11.9 mt -79.75 81.89 5.94 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.474 178.556 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 46.2 m-80 -88.18 36.28 0.77 Allowed 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.679 0.752 . . . . 0.0 109.037 175.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' THR . . . . . 0.401 ' H ' ' C ' ' B' ' 40' ' ' LEU . 5.5 t -109.05 -30.21 8.18 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.775 -1.102 . . . . 0.0 110.312 177.609 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . 0.403 ' HB ' ' HG3' ' B' ' 45' ' ' ARG . 3.1 m -124.13 104.18 32.55 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-N 116.175 -0.466 . . . . 0.0 112.006 -174.134 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -73.85 89.66 0.99 Allowed 'Trans proline' 0 N--CA 1.46 -0.461 0 C-N-CA 122.245 1.964 . . . . 0.0 111.06 172.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.403 ' HG3' ' HB ' ' B' ' 43' ' ' VAL . 48.9 mtp85 -133.85 176.22 8.76 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 -177.616 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' THR . . . . . 0.712 HG21 ' NE2' ' B' ' 49' ' ' GLN . 5.4 t -86.46 175.47 8.36 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.258 -0.577 . . . . 0.0 110.083 178.703 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . 0.416 ' HD2' HD12 ' B' ' 37' ' ' LEU . 15.0 mmt180 -65.6 -41.88 92.3 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.222 0.534 . . . . 0.0 110.276 -173.688 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.422 ' HG3' ' CD2' ' B' ' 52' ' ' HIS . 25.5 ttpt -58.1 -34.28 70.02 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.184 -0.916 . . . . 0.0 112.438 178.603 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.712 ' NE2' HG21 ' B' ' 46' ' ' THR . 1.0 OUTLIER -59.96 -48.3 82.26 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -173.391 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . 0.478 ' HB ' ' CD2' ' B' ' 37' ' ' LEU . 1.7 mp -61.52 -49.31 84.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.085 0.469 . . . . 0.0 110.282 176.177 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 77.2 mt -52.89 -44.45 49.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.082 -0.963 . . . . 0.0 111.401 -177.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' HIS . . . . . 0.422 ' CD2' ' HG3' ' B' ' 48' ' ' LYS . 2.0 m-70 -62.24 -46.95 86.55 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.457 -0.792 . . . . 0.0 112.489 -174.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' HIS . . . . . 0.481 ' O ' ' HB2' ' B' ' 57' ' ' MET . 90.2 m-70 -66.9 -23.02 65.94 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.484 -0.486 . . . . 0.0 111.307 -177.551 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . 0.4 HD21 HD13 ' B' ' 59' ' ' LEU . 90.2 mt -76.17 -52.35 10.26 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.128 0.489 . . . . 0.0 110.688 -177.473 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . 0.441 ' HA ' ' HB1' ' B' ' 60' ' ' ALA . 4.1 m -73.01 -24.61 21.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.58 -178.424 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -81.09 -18.56 46.14 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.017 177.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.535 ' SD ' ' HD2' ' B' ' 18' ' ' ARG . 30.8 ttm -88.58 -2.75 58.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.157 0.503 . . . . 0.0 110.367 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 79.56 6.65 88.93 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.919 -0.657 . . . . 0.0 113.063 176.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . 0.409 HD22 ' SD ' ' B' ' 57' ' ' MET . 4.2 pp -92.36 -20.51 21.0 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.189 0.519 . . . . 0.0 110.09 178.43 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . 0.441 ' HB1' ' HA ' ' B' ' 55' ' ' VAL . . . -114.92 162.2 17.25 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.572 174.285 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -77.9 -64.64 1.11 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.613 -178.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 77.7 p -156.67 175.94 13.39 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-O 121.06 0.457 . . . . 0.0 111.458 -178.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 47.3 t -65.95 -30.39 49.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.623 178.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . 0.45 ' HB2' ' NZ ' ' B' ' 64' ' ' LYS . 7.2 mtmp? -56.34 -39.6 73.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.45 -176.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -63.57 -23.19 67.28 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.641 -176.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -99.04 -48.17 4.97 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.747 177.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -144.7 104.75 4.06 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 114.864 -1.062 . . . . 0.0 110.347 -177.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 17.7 mmm180 -64.51 83.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.686 176.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -145.41 -55.9 0.31 Allowed 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 172.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -66.77 100.75 0.58 Allowed Glycine 0 N--CA 1.445 -0.714 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.422 174.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 12.2 p -57.12 150.73 16.73 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.867 0.365 . . . . 0.0 111.641 -179.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . 0.518 ' HE2' ' HA ' ' B' ' 113' ' ' ARG . 4.0 p-80 -71.59 -19.02 62.19 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 174.507 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . 0.52 HG22 ' O ' ' B' ' 74' ' ' VAL . 0.8 OUTLIER -64.19 118.51 6.54 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.072 0 CA-C-N 114.365 -1.289 . . . . 0.0 111.357 -178.028 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . 0.52 ' O ' HG22 ' B' ' 73' ' ' ILE . 0.7 OUTLIER -54.13 139.17 13.03 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-N 113.686 -1.597 . . . . 0.0 109.134 166.334 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -49.99 98.68 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.2 0.524 . . . . 0.0 111.295 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 76' ' ' TRP . . . . . 0.408 ' CD1' HD12 ' B' ' 73' ' ' ILE . 43.9 m95 -92.5 110.43 21.84 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.808 -178.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 76.6 p -93.22 167.0 12.04 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.523 174.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.54 -33.28 66.29 Favored Glycine 0 N--CA 1.454 -0.158 0 C-N-CA 120.78 -0.724 . . . . 0.0 111.829 179.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . 0.527 ' O ' ' HG3' ' B' ' 83' ' ' GLU . 14.5 m-20 -62.07 -52.99 61.67 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.797 0.332 . . . . 0.0 110.132 176.024 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -60.25 -41.44 93.21 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.376 -179.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 81' ' ' GLU . . . . . 0.461 ' O ' ' HB2' ' B' ' 85' ' ' GLN . 62.0 mt-10 -59.35 -46.48 88.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.305 -0.407 . . . . 0.0 109.943 178.681 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 6.8 tt -63.64 -35.25 79.9 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.093 178.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . 0.527 ' HG3' ' O ' ' B' ' 79' ' ' ASP . 59.4 mt-10 -56.12 -59.47 4.88 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-O 121.055 0.455 . . . . 0.0 111.274 178.684 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 6.3 tt -81.47 -26.52 35.17 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.709 -171.317 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . 0.461 ' HB2' ' O ' ' B' ' 81' ' ' GLU . 0.7 OUTLIER -53.45 -61.87 2.02 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.255 0.55 . . . . 0.0 109.763 176.848 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 31.7 mtp180 -65.71 -40.05 91.83 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.41 -0.813 . . . . 0.0 111.216 -178.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 11.0 tp -63.83 -40.34 96.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.737 -176.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.584 ' O ' ' HB2' ' B' ' 92' ' ' ARG . 0.8 OUTLIER -57.41 -42.54 82.5 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.048 177.62 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -70.07 -38.79 75.84 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.901 0.381 . . . . 0.0 110.796 178.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -59.05 -50.07 75.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.599 -176.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 91' ' ' PHE . . . . . 0.413 ' HB2' HG21 ' B' ' 97' ' ' VAL . 79.6 m-85 -100.4 13.54 34.15 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.79 0.328 . . . . 0.0 111.394 -177.035 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 92' ' ' ARG . . . . . 0.584 ' HB2' ' O ' ' B' ' 88' ' ' PHE . 54.0 ttt180 -68.1 -15.65 63.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.626 0.727 . . . . 0.0 110.648 178.344 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -85.43 6.25 27.5 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.214 -177.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 77.2 p -110.57 174.57 5.8 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.273 176.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -62.44 -48.01 81.53 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.996 0.427 . . . . 0.0 111.355 -178.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -126.33 100.87 6.47 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.911 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 97' ' ' VAL . . . . . 0.505 ' O ' HG13 ' B' ' 101' ' ' ILE . 3.9 p -71.4 -36.97 63.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.153 -178.364 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . 0.525 ' HB2' ' NH1' ' B' ' 111' ' ' ARG . 5.7 mp -67.67 -32.5 73.21 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 121.124 -0.231 . . . . 0.0 111.225 -175.149 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 99' ' ' GLY . . . . . 0.457 ' O ' ' HD3' ' B' ' 103' ' ' LYS . . . -62.37 -38.86 96.97 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.639 -0.791 . . . . 0.0 111.512 175.588 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 32.4 m170 -79.3 -28.72 42.24 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 101' ' ' ILE . . . . . 0.505 HG13 ' O ' ' B' ' 97' ' ' VAL . 44.0 mt -58.5 -56.68 14.89 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.403 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.283 172.774 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 102' ' ' MET . . . . . 0.484 ' HE3' ' O ' ' B' ' 109' ' ' ARG . 45.7 mtt -55.05 -39.25 68.98 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.227 0.454 . . . . 0.0 112.227 -176.267 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 103' ' ' LYS . . . . . 0.457 ' HD3' ' O ' ' B' ' 99' ' ' GLY . 1.7 mptm? -74.11 -24.45 59.46 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 111.957 0.354 . . . . 0.0 111.957 -179.629 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 -106.67 -4.71 19.22 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -177.4 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 105' ' ' ILE . . . . . 0.4 HG13 ' H ' ' B' ' 107' ' ' ALA . 10.5 tp -97.81 148.78 5.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.432 0.634 . . . . 0.0 111.233 -177.817 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 3.7 t -66.78 -35.54 80.32 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 114.868 -1.06 . . . . 0.0 111.664 -176.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . 0.4 ' H ' HG13 ' B' ' 105' ' ' ILE . . . -112.87 129.4 56.47 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 116.668 -0.242 . . . . 0.0 110.69 -178.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.32 101.09 6.14 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 176.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 109' ' ' ARG . . . . . 0.484 ' O ' ' HE3' ' B' ' 102' ' ' MET . 56.9 mtt180 -109.08 124.4 50.72 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.473 -175.521 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 110' ' ' SER . . . . . 0.572 ' O ' ' HG2' ' B' ' 113' ' ' ARG . 1.4 m -56.05 155.7 6.17 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 123.687 0.617 . . . . 0.0 111.536 -177.305 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 111' ' ' ARG . . . . . 0.525 ' NH1' ' HB2' ' B' ' 98' ' ' LEU . 11.9 mmt180 -56.13 -47.43 78.16 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.991 -175.687 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -61.15 -29.17 69.62 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 -175.107 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . 0.572 ' HG2' ' O ' ' B' ' 110' ' ' SER . 19.3 ptp180 -87.02 -29.0 22.29 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.198 -0.601 . . . . 0.0 111.03 -178.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 59.2 mt -69.17 -55.29 15.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.778 0.323 . . . . 0.0 110.75 173.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 115' ' ' VAL . . . . . 0.518 ' O ' HD21 ' B' ' 119' ' ' LEU . 32.6 m -59.96 -36.83 69.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.855 -173.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -73.24 -30.94 63.81 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.41 179.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . 0.428 ' O ' HD13 ' B' ' 121' ' ' LEU . 44.7 tptt -68.12 -37.2 80.86 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.235 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 7.3 mp -60.33 -43.12 96.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.364 176.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 119' ' ' LEU . . . . . 0.518 HD21 ' O ' ' B' ' 115' ' ' VAL . 4.4 mm? -67.26 -27.9 67.59 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.384 0.612 . . . . 0.0 110.403 179.197 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -74.69 -42.2 58.86 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.651 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 121' ' ' LEU . . . . . 0.428 HD13 ' O ' ' B' ' 117' ' ' LYS . 10.6 mp -68.86 -24.77 64.39 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.857 173.714 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 78.03 35.16 35.52 Favored Glycine 0 N--CA 1.443 -0.862 0 C-N-CA 120.457 -0.878 . . . . 0.0 110.965 -173.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 62.0 mt -79.24 -30.89 43.41 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-O 121.241 0.544 . . . . 0.0 109.99 179.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 124' ' ' VAL . . . . . 0.497 HG21 ' CD2' ' B' ' 130' ' ' LEU . 23.9 m -134.24 168.17 24.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.7 -178.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -81.95 -32.37 30.81 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.834 -1.075 . . . . 0.0 110.312 177.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 126' ' ' GLU . . . . . 0.404 ' HG3' ' HB3' ' B' ' 128' ' ' ARG . 7.8 pt-20 -169.47 177.98 4.41 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 114.457 -1.247 . . . . 0.0 108.768 -172.118 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 127' ' ' ARG . . . . . 0.598 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 12.2 mpt_? -65.63 -22.24 66.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.895 0.379 . . . . 0.0 111.043 -179.506 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 128' ' ' ARG . . . . . 0.404 ' HB3' ' HG3' ' B' ' 126' ' ' GLU . 8.7 ttm180 -59.0 -39.0 80.48 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.761 -179.131 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -72.0 -8.93 57.37 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.982 -0.554 . . . . 0.0 112.401 -170.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 130' ' ' LEU . . . . . 0.598 ' HG ' ' O ' ' B' ' 127' ' ' ARG . 0.1 OUTLIER -107.67 12.23 27.72 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.715 0.293 . . . . 0.0 111.347 179.528 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 131' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -132.78 107.53 8.41 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 175.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 52.3 mttt -67.92 112.29 4.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.701 0.763 . . . . 0.0 111.953 -176.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -130.41 172.65 11.64 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 114.524 -1.216 . . . . 0.0 108.687 175.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 134' ' ' ARG . . . . . 0.617 ' O ' ' HG2' ' B' ' 134' ' ' ARG . 0.3 OUTLIER -65.91 80.73 0.08 Allowed 'General case' 0 CA--C 1.544 0.712 0 CA-C-O 122.748 1.261 . . . . 0.0 110.37 172.871 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -80.83 169.81 17.09 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 114.95 -1.023 . . . . 0.0 111.139 -177.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 52.1 pttt -89.81 -162.38 0.88 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.123 174.195 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 52.0 tptt -57.39 133.43 55.15 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 174.196 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 34.3 tp -72.79 80.95 1.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.17 0.509 . . . . 0.0 110.833 -177.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . -111.3 39.04 2.39 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.778 0.799 . . . . 0.0 108.845 173.066 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 5.4 p -130.51 167.49 18.57 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.467 -1.242 . . . . 0.0 108.931 178.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 141' ' ' SER . . . . . . . . . . . . . 39.5 t . . . . . 0 C--O 1.247 0.96 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 -175.253 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 . . . . . 0 N--CA 1.482 1.165 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -63.86 -69.06 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 123.01 2.473 . . . . 0.0 113.05 -176.207 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 48.2 t -98.97 -55.01 2.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.182 0.515 . . . . 0.0 109.813 -179.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -131.37 -169.81 2.25 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 173.123 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 38.8 ttm180 -61.28 140.75 57.91 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.224 -0.59 . . . . 0.0 110.407 177.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.13 118.86 11.21 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 115.079 -0.964 . . . . 0.0 111.257 175.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -60.09 130.27 33.72 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 122.427 2.085 . . . . 0.0 111.469 174.19 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 11.2 m -71.58 123.89 23.47 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 176.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' TRP . . . . . 0.517 ' CH2' HG23 ' B' ' 43' ' ' VAL . 70.5 m95 -66.32 120.72 13.78 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.763 -178.018 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 36.6 p -79.42 158.54 73.79 Favored Pre-proline 0 C--N 1.322 -0.601 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 176.062 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_endo -51.18 -34.44 48.39 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.723 2.282 . . . . 0.0 112.133 177.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -74.91 -31.35 61.53 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.61 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.435 ' CD ' HG21 ' B' ' 42' ' ' THR . 6.5 tp10 -78.74 -35.99 43.89 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.366 -179.368 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -64.74 -37.65 88.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.938 0.399 . . . . 0.0 110.448 177.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.7 -32.02 72.38 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.085 0.469 . . . . 0.0 110.494 175.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.496 ' O ' ' HB3' ' B' ' 19' ' ' GLU . 11.5 t-160 -74.7 -26.76 60.04 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.35 176.173 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.431 HD22 ' HB2' ' B' ' 53' ' ' HIS . 32.4 tp -67.59 -47.25 70.28 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 177.631 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . 0.754 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 30.7 ptt180 -73.26 -30.49 63.48 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 174.814 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . 0.496 ' HB3' ' O ' ' B' ' 16' ' ' HIS . 10.3 tp10 -48.53 -51.87 25.39 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 121.665 0.745 . . . . 0.0 110.503 177.232 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.431 HD11 ' HA ' ' B' ' 36' ' ' ILE . 0.4 OUTLIER -73.69 -28.43 61.74 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.076 -0.966 . . . . 0.0 111.223 -177.047 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -70.55 -49.6 46.36 Favored 'General case' 0 CA--C 1.514 -0.43 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 178.048 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.754 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 39.3 mt -63.2 -20.34 65.33 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.623 -177.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.91 -43.29 22.46 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.837 179.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -109.25 3.18 21.43 Favored 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 -173.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 12.5 ptmm? -62.38 -35.92 80.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.691 0.281 . . . . 0.0 111.67 -177.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -94.6 10.69 33.8 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.179 -176.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 49.4 t -89.35 106.89 17.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 173.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -82.84 138.41 33.95 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.986 -173.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.64 -18.78 55.8 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.951 -0.642 . . . . 0.0 113.041 177.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -97.05 147.28 24.18 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.919 0.359 . . . . 0.0 110.822 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -63.28 100.15 0.23 Allowed 'General case' 0 CA--C 1.516 -0.327 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.443 168.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . 0.512 ' O ' HG13 ' B' ' 36' ' ' ILE . 10.3 p -59.89 -36.74 68.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 120.901 0.381 . . . . 0.0 110.212 178.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . 0.792 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 8.0 p -73.35 -38.55 53.87 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.868 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.201 -174.21 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.412 ' HA ' ' CD1' ' B' ' 37' ' ' LEU . 24.4 mt-10 -69.38 -24.74 63.91 Favored 'General case' 0 CA--C 1.514 -0.404 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.469 179.295 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.89 -44.8 91.94 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.621 0.724 . . . . 0.0 109.054 170.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.588 ' O ' ' HG ' ' B' ' 40' ' ' LEU . 44.8 mt -72.45 -64.45 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.587 -177.247 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.792 ' HG ' ' O ' ' B' ' 33' ' ' VAL . 2.4 pp -65.74 -20.07 66.13 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 -170.124 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -90.0 -31.1 17.36 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.58 -0.448 . . . . 0.0 112.007 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 18.6 m-70 -80.79 -29.92 36.01 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.6 -0.44 . . . . 0.0 111.958 -175.031 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.588 ' HG ' ' O ' ' B' ' 36' ' ' ILE . 0.5 OUTLIER -89.6 86.49 6.74 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.743 0.782 . . . . 0.0 111.417 178.402 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -84.0 38.62 0.66 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.641 0.734 . . . . 0.0 110.188 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' THR . . . . . 0.435 HG21 ' CD ' ' B' ' 13' ' ' GLU . 2.3 t -104.82 -13.0 16.01 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 114.934 -1.03 . . . . 0.0 109.383 179.354 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . 0.517 HG23 ' CH2' ' B' ' 9' ' ' TRP . 2.4 m -133.14 100.45 14.2 Favored Pre-proline 0 N--CA 1.453 -0.315 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.738 -179.334 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -73.24 88.73 0.96 Allowed 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 121.987 1.792 . . . . 0.0 110.214 169.382 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 24.0 mtp180 -138.04 170.89 15.25 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.193 -176.011 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' THR . . . . . 0.415 HG22 ' HG2' ' B' ' 49' ' ' GLN . 5.8 t -74.59 155.78 37.48 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 176.694 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 28.4 mmt180 -63.08 -31.99 73.25 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.015 0.436 . . . . 0.0 111.244 -172.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -56.41 -31.87 64.3 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.348 -0.842 . . . . 0.0 112.186 -179.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.415 ' HG2' HG22 ' B' ' 46' ' ' THR . 17.8 mm-40 -68.38 -40.0 81.55 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 111.898 0.332 . . . . 0.0 111.898 -172.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 2.0 mp -66.18 -47.73 83.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 177.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 87.4 mt -52.57 -50.58 39.67 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 CA-C-O 121.707 0.765 . . . . 0.0 110.51 177.116 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' HIS . . . . . 0.453 ' HB3' ' NE2' ' B' ' 56' ' ' GLN . 0.9 OUTLIER -60.21 -53.51 56.83 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.568 -1.196 . . . . 0.0 112.838 -172.896 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' HIS . . . . . 0.431 ' HB2' HD22 ' B' ' 17' ' ' LEU . 37.8 m-70 -59.97 -32.2 70.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.839 0.352 . . . . 0.0 111.78 -175.139 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . 0.458 ' O ' ' HG ' ' B' ' 59' ' ' LEU . 80.1 mt -68.67 -45.82 70.72 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.208 -178.008 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 5.4 m -75.93 -20.48 15.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.254 0.55 . . . . 0.0 109.813 178.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' GLN . . . . . 0.453 ' NE2' ' HB3' ' B' ' 52' ' ' HIS . 45.5 mt-30 -72.49 -35.35 68.15 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.915 175.723 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 66.6 mtm -82.51 6.28 17.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.451 179.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 69.63 4.18 44.84 Favored Glycine 0 C--N 1.33 0.2 0 C-N-CA 121.234 -0.507 . . . . 0.0 113.045 175.328 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' B' ' 54' ' ' LEU . 4.5 pp -82.6 -17.69 43.89 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.35 0.595 . . . . 0.0 109.61 -179.603 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -115.61 170.2 8.62 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.379 174.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -75.7 -68.08 0.61 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.235 0.54 . . . . 0.0 110.449 179.093 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 72.3 p -165.34 176.27 8.46 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 115.216 -0.902 . . . . 0.0 109.918 -178.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 73.8 t -62.98 -27.41 43.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.254 0.55 . . . . 0.0 110.151 178.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 30.7 mtmm -68.6 -24.49 64.59 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.476 -176.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -74.68 -31.92 62.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.299 0.571 . . . . 0.0 109.963 179.098 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -80.02 -47.51 14.8 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.442 176.09 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -148.72 96.76 2.63 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.284 -1.325 . . . . 0.0 109.555 -173.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 33.8 ttp180 -75.16 79.28 2.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.824 0.821 . . . . 0.0 110.419 -179.257 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . 0.462 ' O ' ' HG2' ' B' ' 69' ' ' LYS . 56.1 tttm -155.1 16.26 0.41 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.032 -1.44 . . . . 0.0 108.053 171.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -115.33 41.99 2.02 Favored Glycine 0 N--CA 1.44 -1.088 0 CA-C-N 115.165 -0.925 . . . . 0.0 112.436 -170.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 3.5 p -82.01 92.18 6.74 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-O 121.175 0.512 . . . . 0.0 110.116 174.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 28.6 p-80 -54.45 138.4 40.2 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 106.921 -1.511 . . . . 0.0 106.921 170.109 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . 0.496 HG21 ' O ' ' B' ' 74' ' ' VAL . 0.4 OUTLIER -137.36 145.77 28.95 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.451 0 C-N-CA 118.879 -1.128 . . . . 0.0 113.557 -165.409 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . 0.496 ' O ' HG21 ' B' ' 73' ' ' ILE . 0.7 OUTLIER -72.64 150.04 8.49 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.606 0 CA-C-N 113.838 -1.528 . . . . 0.0 108.407 177.268 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 20.8 tp -57.84 100.98 0.06 Allowed 'General case' 0 C--N 1.312 -1.048 0 CA-C-O 121.277 0.56 . . . . 0.0 111.071 -177.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 76' ' ' TRP . . . . . 0.589 ' CE2' ' HG3' ' B' ' 117' ' ' LYS . 92.5 m95 -100.75 110.09 22.16 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.416 178.483 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 76.0 p -103.91 178.87 4.43 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 173.181 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.3 -45.98 87.46 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.53 -0.843 . . . . 0.0 112.154 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -71.93 -40.62 68.62 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.862 0.363 . . . . 0.0 110.5 -179.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 80' ' ' GLN . . . . . 0.49 ' O ' ' HB3' ' B' ' 83' ' ' GLU . 0.0 OUTLIER -65.83 -37.3 85.85 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.254 -177.624 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 81' ' ' GLU . . . . . 0.456 ' HA ' ' CE3' ' B' ' 76' ' ' TRP . 36.1 tt0 -72.01 -35.62 69.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.99 0.424 . . . . 0.0 110.399 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 25.6 tp -61.59 -37.02 82.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.087 175.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . 0.49 ' HB3' ' O ' ' B' ' 80' ' ' GLN . 40.5 tt0 -53.29 -49.57 66.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.668 177.266 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . 0.404 ' HB2' ' CH2' ' B' ' 76' ' ' TRP . 53.5 tp -60.37 -48.53 81.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.484 178.011 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.71 -48.3 72.66 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.976 -178.267 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 44.0 mtp180 -66.93 -49.49 65.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.154 -178.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 12.5 tp -63.75 -40.5 96.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.096 -175.275 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.593 ' CE2' HD23 ' B' ' 118' ' ' LEU . 53.5 t80 -51.14 -48.47 61.79 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 122.683 0.393 . . . . 0.0 111.79 174.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -68.74 -24.25 64.43 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.371 0.605 . . . . 0.0 111.241 -178.105 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -77.21 -37.81 52.66 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.036 -0.984 . . . . 0.0 111.928 -176.2 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -107.36 4.41 26.37 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -175.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 92' ' ' ARG . . . . . 0.545 ' O ' ' HD3' ' B' ' 134' ' ' ARG . 16.5 ptm180 -73.79 -11.07 60.27 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.956 -0.297 . . . . 0.0 111.662 -176.452 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -74.39 -0.33 16.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.913 0.387 . . . . 0.0 110.99 176.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 9.4 t -105.32 175.05 5.62 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 177.094 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -76.93 -33.51 57.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.912 0.386 . . . . 0.0 111.179 -176.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -124.86 97.47 5.28 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 178.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 97' ' ' VAL . . . . . 0.596 ' O ' HG12 ' B' ' 101' ' ' ILE . 8.9 p -76.81 -36.88 27.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.071 -176.47 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . 0.564 ' O ' ' HG3' ' B' ' 102' ' ' MET . 1.0 OUTLIER -66.05 -42.0 90.07 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.107 -0.497 . . . . 0.0 112.113 -171.891 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -63.6 -31.73 81.78 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.556 -0.83 . . . . 0.0 112.137 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 13.1 m170 -75.23 -31.44 60.85 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 101' ' ' ILE . . . . . 0.653 ' O ' ' HB ' ' B' ' 105' ' ' ILE . 51.3 mm -59.61 -53.29 50.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.766 173.02 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 102' ' ' MET . . . . . 0.564 ' HG3' ' O ' ' B' ' 98' ' ' LEU . 27.5 mtp -67.09 -36.96 83.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.152 -173.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 5.3 tptm -80.08 -18.29 50.37 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.58 -172.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -117.85 10.88 13.35 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.838 0.351 . . . . 0.0 111.702 -177.275 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 105' ' ' ILE . . . . . 0.653 ' HB ' ' O ' ' B' ' 101' ' ' ILE . 10.7 tp -98.25 159.59 3.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.563 0.697 . . . . 0.0 111.964 -172.325 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 106' ' ' THR . . . . . 0.466 ' N ' HG13 ' B' ' 105' ' ' ILE . 3.7 t -79.58 -24.14 42.25 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.84 -1.073 . . . . 0.0 111.493 -179.307 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . 0.417 ' O ' HG22 ' B' ' 105' ' ' ILE . . . -102.2 169.96 8.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.257 -174.021 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 6.2 mmpt? -92.48 102.86 15.32 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 171.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.84 122.6 46.83 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.615 -175.058 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 62.1 p -97.23 151.09 20.19 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 167.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -59.92 -33.97 72.59 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -171.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -54.38 -38.14 65.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.977 0.418 . . . . 0.0 111.239 177.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . 0.41 ' HD2' HG12 ' B' ' 74' ' ' VAL . 21.4 mtt180 -84.33 -29.36 26.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.142 0.496 . . . . 0.0 110.227 -176.248 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 85.6 mt -71.31 -47.74 58.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.63 -178.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 115' ' ' VAL . . . . . 0.515 ' O ' HD12 ' B' ' 119' ' ' LEU . 17.8 m -65.47 -36.84 78.63 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.542 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.331 -177.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -55.7 -45.63 77.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.897 0.38 . . . . 0.0 110.345 175.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . 0.589 ' HG3' ' CE2' ' B' ' 76' ' ' TRP . 37.7 mmtt -73.55 -37.16 65.67 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.66 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . 0.593 HD23 ' CE2' ' B' ' 88' ' ' PHE . 2.3 tp -62.18 -46.15 90.21 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.066 0.46 . . . . 0.0 110.854 -179.127 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 119' ' ' LEU . . . . . 0.515 HD12 ' O ' ' B' ' 115' ' ' VAL . 10.0 mp -71.8 -18.82 62.07 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.64 179.728 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -83.49 -35.34 24.95 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.298 -179.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 121' ' ' LEU . . . . . 0.547 HD11 ' O ' ' B' ' 117' ' ' LYS . 10.5 mp -69.77 -24.63 63.54 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.238 167.359 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 75.88 33.02 52.05 Favored Glycine 0 N--CA 1.444 -0.825 0 CA-C-N 114.76 -1.109 . . . . 0.0 111.899 -178.384 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . 0.529 HD12 ' CD1' ' B' ' 88' ' ' PHE . 90.0 mt -74.41 -25.16 59.29 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.934 0.873 . . . . 0.0 108.705 177.419 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 124' ' ' VAL . . . . . 0.5 HG23 ' CD2' ' B' ' 130' ' ' LEU . 24.0 m -141.88 163.23 19.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 113.964 -1.471 . . . . 0.0 109.367 175.821 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . 0.499 ' HB2' ' O ' ' B' ' 141' ' ' SER . . . -102.65 -13.17 17.22 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.114 0.483 . . . . 0.0 110.51 177.08 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 126' ' ' GLU . . . . . 0.461 ' OE2' ' HB3' ' B' ' 141' ' ' SER . 15.3 pt-20 -153.44 172.21 17.46 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.263 -179.093 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 127' ' ' ARG . . . . . 0.737 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 0.6 OUTLIER -79.59 -21.76 44.59 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.074 0.464 . . . . 0.0 111.029 -177.802 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 128' ' ' ARG . . . . . . . . . . . . . 28.6 ttm180 -56.1 -38.0 70.15 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -176.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -74.05 -17.41 60.97 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 -173.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 130' ' ' LEU . . . . . 0.737 ' HG ' ' O ' ' B' ' 127' ' ' ARG . 0.1 OUTLIER -92.54 -8.85 43.27 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.141 0.496 . . . . 0.0 110.595 -178.549 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 131' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -122.27 46.98 2.0 Allowed 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 107.667 -1.235 . . . . 0.0 107.667 173.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 18.7 tptm -123.5 147.94 46.73 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.625 -168.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 46.2 mtpt -74.32 151.02 39.88 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 171.314 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 134' ' ' ARG . . . . . 0.545 ' HD3' ' O ' ' B' ' 92' ' ' ARG . 0.0 OUTLIER -76.78 85.38 3.38 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.648 0.737 . . . . 0.0 111.287 -177.773 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 30.0 pt20 -75.94 139.84 41.79 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 114.99 -1.005 . . . . 0.0 110.044 175.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 136' ' ' LYS . . . . . 0.422 ' HD2' ' N ' ' B' ' 136' ' ' LYS . 0.4 OUTLIER -99.61 72.71 1.78 Allowed 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 174.299 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -149.08 146.21 27.61 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.902 -1.045 . . . . 0.0 109.339 -174.795 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 58.6 tp -73.38 93.78 1.98 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.91 0.386 . . . . 0.0 110.756 178.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . -124.95 141.43 52.13 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.697 178.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 47.6 m -127.74 84.88 2.29 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 174.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 141' ' ' SER . . . . . 0.499 ' O ' ' HB2' ' B' ' 125' ' ' ALA . 4.0 m . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.509 -0.758 . . . . 0.0 110.081 -176.154 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 . . . . . 0 N--CA 1.483 1.198 0 CA-C-O 120.436 0.16 . . . . 0.0 110.718 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -77.91 -4.05 14.09 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.704 2.27 . . . . 0.0 111.94 175.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 15.8 p -77.27 46.43 0.51 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.626 -0.715 . . . . 0.0 112.061 -176.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 26.0 mtm180 -85.84 -162.66 0.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 176.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 11.3 tpp180 -39.67 110.9 0.16 Allowed 'General case' 0 N--CA 1.466 0.36 0 O-C-N 123.385 0.428 . . . . 0.0 110.905 176.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.13 121.86 38.94 Favored Pre-proline 0 N--CA 1.452 -0.372 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.029 -178.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_exo -53.67 122.32 11.1 Favored 'Trans proline' 0 N--CA 1.463 -0.301 0 C-N-CA 122.778 2.319 . . . . 0.0 112.29 -179.127 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 35.6 m -61.83 114.77 3.52 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 173.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' TRP . . . . . 0.459 ' CH2' HG22 ' B' ' 43' ' ' VAL . 56.0 m95 -54.04 125.87 20.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.588 -173.49 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' SER . . . . . 0.512 ' OG ' ' HB2' ' B' ' 13' ' ' GLU . 15.8 p -75.15 159.93 81.42 Favored Pre-proline 0 C--N 1.318 -0.774 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.196 173.443 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -50.67 -43.97 43.05 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.532 2.155 . . . . 0.0 112.275 179.026 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -68.78 -27.59 66.02 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.707 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.512 ' HB2' ' OG ' ' B' ' 10' ' ' SER . 3.1 tt0 -74.09 -44.19 54.89 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.614 -175.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -68.73 -28.63 66.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.058 0.456 . . . . 0.0 109.924 175.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . 0.444 ' O ' ' HB2' ' B' ' 19' ' ' GLU . . . -64.78 -36.74 85.29 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.172 174.346 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.445 ' HA ' ' CB ' ' B' ' 19' ' ' GLU . 8.9 t-160 -76.3 -30.82 57.9 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.833 176.67 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 25.6 tp -63.58 -47.88 79.68 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 178.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . 0.771 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 10.5 ptm180 -70.97 -35.71 72.26 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 174.695 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . 0.445 ' CB ' ' HA ' ' B' ' 16' ' ' HIS . 11.5 tp10 -49.1 -55.16 13.07 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.96 0.886 . . . . 0.0 110.589 -178.636 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.451 ' CD1' ' HB2' ' B' ' 39' ' ' HIS . 1.0 OUTLIER -66.54 -35.99 81.6 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.598 -1.183 . . . . 0.0 111.827 -178.885 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 68.8 t80 -70.64 -39.41 73.69 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.617 -175.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.771 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 49.1 mt -64.63 -25.17 67.84 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.328 179.348 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.43 -56.68 3.61 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.975 178.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' ASN . . . . . 0.466 ' N ' HD21 ' B' ' 24' ' ' ASN . 0.9 OUTLIER -79.83 -1.57 39.56 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -170.946 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.08 -21.21 64.98 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 120.656 -0.417 . . . . 0.0 110.935 177.009 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -98.87 3.56 47.3 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.015 -179.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 50.0 t -97.86 107.23 19.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 176.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -101.48 148.54 25.07 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.173 -179.351 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.35 1.26 66.73 Favored Glycine 0 N--CA 1.445 -0.709 0 N-CA-C 110.256 -1.138 . . . . 0.0 110.256 -171.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -129.6 149.33 51.41 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.948 -0.626 . . . . 0.0 109.614 177.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -70.34 129.27 38.87 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 172.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . 0.672 ' O ' HG12 ' B' ' 36' ' ' ILE . 2.2 p -79.49 -45.33 23.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 C-N-CA 119.832 -0.747 . . . . 0.0 111.032 -178.291 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . 0.691 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 14.4 p -70.34 -42.89 78.72 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.401 0 C-N-CA 120.985 -0.286 . . . . 0.0 110.397 -174.147 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.446 ' HA ' HD13 ' B' ' 37' ' ' LEU . 1.3 tm-20 -62.79 -40.17 96.49 Favored 'General case' 0 N--CA 1.444 -0.753 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 178.441 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . 0.528 ' O ' ' HD2' ' B' ' 39' ' ' HIS . . . -54.24 -51.17 65.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.017 175.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.672 HG12 ' O ' ' B' ' 32' ' ' VAL . 11.7 mm -57.25 -63.61 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.177 -178.083 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.691 ' HG ' ' O ' ' B' ' 33' ' ' VAL . 2.1 pp -65.43 -20.75 66.5 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.506 -175.426 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.63 -48.12 64.86 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.914 0.388 . . . . 0.0 111.211 176.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' HIS . . . . . 0.528 ' HD2' ' O ' ' B' ' 35' ' ' ALA . 50.2 m-70 -80.7 -21.47 41.22 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.678 -175.342 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.8 81.16 3.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.878 0.371 . . . . 0.0 110.164 172.266 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 -87.28 35.0 0.69 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.708 0.766 . . . . 0.0 109.334 177.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 8.0 t -108.34 -20.5 13.11 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.817 -179.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . 0.459 HG22 ' CH2' ' B' ' 9' ' ' TRP . 6.8 m -134.77 117.25 12.87 Favored Pre-proline 0 C--O 1.234 0.246 0 CA-C-O 121.016 0.436 . . . . 0.0 112.073 -175.207 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo -76.02 89.94 1.2 Allowed 'Trans proline' 0 N--CA 1.463 -0.318 0 C-N-CA 122.813 2.342 . . . . 0.0 110.567 169.047 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 23.5 mtp180 -139.34 173.71 11.26 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.793 -174.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 15.2 t -96.99 168.21 10.61 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.835 -179.092 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . 0.538 ' HA ' ' CD2' ' B' ' 37' ' ' LEU . 0.3 OUTLIER -56.97 -44.13 82.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.45 -0.796 . . . . 0.0 111.538 -177.233 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 31.6 ttpt -53.85 -33.76 57.28 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.538 -0.755 . . . . 0.0 112.215 -176.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -74.82 -40.03 61.31 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.949 -171.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . 0.47 ' CD1' ' HB3' ' B' ' 37' ' ' LEU . 2.5 mp -69.43 -45.27 79.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 177.112 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . 0.501 HG22 HG13 ' B' ' 63' ' ' VAL . 81.1 mt -48.66 -47.23 15.52 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-O 121.563 0.697 . . . . 0.0 110.921 178.792 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' HIS . . . . . 0.473 ' HB3' ' NE2' ' B' ' 56' ' ' GLN . 3.0 m-70 -65.49 -53.39 43.23 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 114.919 -1.037 . . . . 0.0 112.894 -172.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 73.4 m-70 -58.38 -36.89 74.21 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 112.038 0.385 . . . . 0.0 112.038 -173.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . 0.441 ' O ' ' HG ' ' B' ' 59' ' ' LEU . 79.5 mt -67.8 -43.33 79.93 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.219 -176.301 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . 0.42 HG11 ' C ' ' B' ' 62' ' ' SER . 13.3 m -78.84 -25.19 13.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.251 0.548 . . . . 0.0 109.984 178.014 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' GLN . . . . . 0.473 ' NE2' ' HB3' ' B' ' 52' ' ' HIS . 59.2 mt-30 -70.14 -32.73 70.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.752 175.518 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 73.6 mtm -82.23 3.23 28.24 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.982 177.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 67.95 10.17 58.26 Favored Glycine 0 N--CA 1.451 -0.345 0 CA-C-N 116.01 -0.541 . . . . 0.0 113.058 174.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' B' ' 54' ' ' LEU . 4.5 pp -91.69 -16.89 26.3 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.32 0.581 . . . . 0.0 109.701 179.476 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -118.97 153.95 33.82 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.279 175.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -64.64 -69.62 0.28 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.633 -176.187 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' SER . . . . . 0.488 ' HB2' ' NZ ' ' B' ' 64' ' ' LYS . 25.2 m -158.69 175.21 13.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.685 -0.688 . . . . 0.0 109.746 -176.572 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' VAL . . . . . 0.501 HG13 HG22 ' B' ' 51' ' ' ILE . 16.3 m -69.23 -24.31 27.75 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.617 0 CA-C-O 121.357 0.599 . . . . 0.0 111.554 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . 0.552 ' HA ' ' HB3' ' B' ' 68' ' ' ARG . 15.6 mtmm -44.62 -50.36 9.79 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.51 -1.223 . . . . 0.0 110.853 174.68 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -71.51 -6.84 43.55 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 113.498 -1.683 . . . . 0.0 111.062 -171.372 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -107.51 -51.53 2.9 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.142 177.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' GLN . . . . . 0.444 ' HG3' HG13 ' B' ' 33' ' ' VAL . 31.1 mt-30 -154.04 -20.43 0.13 Allowed 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 115.128 1.529 . . . . 0.0 115.128 -170.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' ARG . . . . . 0.552 ' HB3' ' HA ' ' B' ' 64' ' ' LYS . 0.6 OUTLIER -74.0 92.47 2.13 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 119.927 -0.709 . . . . 0.0 110.549 -174.687 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . 0.566 ' HD3' ' O ' ' B' ' 69' ' ' LYS . 13.3 tmtt? -71.27 -11.85 61.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.308 179.411 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -71.37 52.03 1.09 Allowed Glycine 0 N--CA 1.45 -0.392 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 168.057 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' THR . . . . . 0.495 HG21 ' HB3' ' B' ' 64' ' ' LYS . 0.2 OUTLIER -87.2 125.66 34.32 Favored 'General case' 0 N--CA 1.437 -1.107 0 CA-C-O 121.129 0.49 . . . . 0.0 111.105 -174.317 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . 0.402 ' CE1' ' HG2' ' B' ' 113' ' ' ARG . 0.5 OUTLIER -83.88 12.79 5.59 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.754 174.171 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . 0.438 ' HA ' ' HD2' ' B' ' 113' ' ' ARG . 1.7 mm -67.5 117.44 8.96 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.535 0 CA-C-O 121.999 0.904 . . . . 0.0 110.861 -178.799 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 3.1 m -77.84 141.51 15.43 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.351 0 CA-C-N 113.678 -1.601 . . . . 0.0 106.71 169.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.16 93.01 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 -171.535 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 76' ' ' TRP . . . . . 0.564 ' CZ3' ' HG2' ' B' ' 80' ' ' GLN . 60.2 m95 -92.5 108.97 20.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.271 0.557 . . . . 0.0 111.076 -174.647 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 56.9 p -106.9 166.49 10.56 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.421 176.097 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -55.66 -30.64 56.62 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.276 178.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -77.0 -46.66 23.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 122.923 -0.163 . . . . 0.0 111.013 177.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 80' ' ' GLN . . . . . 0.564 ' HG2' ' CZ3' ' B' ' 76' ' ' TRP . 29.6 tt0 -67.7 -36.66 81.06 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 120.504 -0.478 . . . . 0.0 111.01 -177.786 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -65.99 -37.28 85.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.928 0.394 . . . . 0.0 110.208 178.461 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 19.1 tp -70.51 -35.57 73.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.209 174.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . 0.475 ' CD ' HH21 ' B' ' 86' ' ' ARG . 6.1 tp10 -62.44 -39.21 92.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.105 179.729 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . 0.479 HD21 ' CH2' ' B' ' 76' ' ' TRP . 52.4 tp -63.79 -36.94 85.53 Favored 'General case' 0 C--O 1.225 -0.212 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.267 177.133 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . 0.5 ' O ' ' HG3' ' B' ' 89' ' ' GLU . 17.0 tt0 -62.3 -56.04 22.37 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.141 178.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 86' ' ' ARG . . . . . 0.475 HH21 ' CD ' ' B' ' 83' ' ' GLU . 20.1 mtm180 -56.63 -41.75 77.66 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.286 0.565 . . . . 0.0 110.831 179.613 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . 0.499 ' CD2' HG22 ' B' ' 101' ' ' ILE . 16.7 tp -64.91 -48.53 73.85 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.02 -179.761 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.543 ' CE1' HD23 ' B' ' 118' ' ' LEU . 2.1 t80 -62.58 -43.25 99.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.231 -177.148 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.5 ' HG3' ' O ' ' B' ' 85' ' ' GLN . 52.5 mt-10 -62.16 -37.85 86.79 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.281 0.563 . . . . 0.0 111.039 -178.715 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -79.21 -33.23 43.97 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.398 -0.819 . . . . 0.0 112.285 -174.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -90.4 -8.41 50.7 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -177.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 92' ' ' ARG . . . . . 0.49 ' HG2' ' O ' ' B' ' 89' ' ' GLU . 12.9 ptm180 -75.98 -11.19 59.91 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.33 0.586 . . . . 0.0 109.993 177.06 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -79.44 -1.34 36.89 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.786 173.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 23.2 m -104.94 -164.23 1.02 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.504 178.087 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 20.2 p-10 -84.01 -49.83 8.57 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -175.332 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 96' ' ' ASP . . . . . 0.546 ' O ' ' HD2' ' B' ' 100' ' ' HIS . 11.0 t0 -124.28 98.95 5.99 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 176.697 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 97' ' ' VAL . . . . . 0.478 ' O ' HG13 ' B' ' 101' ' ' ILE . 7.4 p -56.58 -43.69 79.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.786 -175.187 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . 0.643 ' O ' ' HG3' ' B' ' 102' ' ' MET . 5.8 mp -76.72 -41.21 46.01 Favored 'General case' 0 CA--C 1.516 -0.349 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -172.478 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -56.57 -39.06 84.32 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.628 -0.796 . . . . 0.0 111.749 177.222 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . 0.546 ' HD2' ' O ' ' B' ' 96' ' ' ASP . 45.6 m-70 -76.46 -33.91 58.71 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 -179.717 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 101' ' ' ILE . . . . . 0.521 ' O ' HG21 ' B' ' 105' ' ' ILE . 18.9 mt -56.05 -59.27 2.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.741 172.691 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 102' ' ' MET . . . . . 0.643 ' HG3' ' O ' ' B' ' 98' ' ' LEU . 59.6 mtp -60.17 -30.19 69.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.783 -170.459 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -92.39 -27.1 17.73 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 121.033 -0.267 . . . . 0.0 111.516 -175.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -93.79 -23.18 18.27 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -174.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 105' ' ' ILE . . . . . 0.521 HG21 ' O ' ' B' ' 101' ' ' ILE . 10.8 tp -90.04 154.83 3.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 121.64 0.734 . . . . 0.0 111.153 -174.132 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 106' ' ' THR . . . . . 0.45 ' N ' HG13 ' B' ' 105' ' ' ILE . 12.6 t -55.49 -29.24 58.44 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.257 -1.338 . . . . 0.0 112.682 -177.21 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . 0.422 ' O ' HG23 ' B' ' 105' ' ' ILE . . . -112.73 128.79 56.51 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.331 -177.202 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 108' ' ' LYS . . . . . 0.499 ' N ' ' HE3' ' B' ' 108' ' ' LYS . 0.2 OUTLIER -75.89 101.55 5.2 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 174.043 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 109' ' ' ARG . . . . . 0.565 ' O ' ' HE3' ' B' ' 102' ' ' MET . 44.7 mtt180 -112.07 137.68 49.77 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.845 -176.189 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 15.3 m -75.28 159.63 31.28 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.265 -175.451 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 10.2 mmt180 -57.98 -51.21 70.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.098 -177.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -64.55 -22.11 66.88 Favored 'General case' 0 C--O 1.224 -0.24 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.169 -179.377 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . 0.535 ' NE ' ' HE1' ' B' ' 76' ' ' TRP . 0.0 OUTLIER -80.41 -48.99 12.06 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.49 0.662 . . . . 0.0 109.796 179.59 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 89.4 mt -59.59 -48.94 85.54 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.007 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.439 -177.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 115' ' ' VAL . . . . . 0.646 ' O ' HD22 ' B' ' 119' ' ' LEU . 9.8 m -65.08 -37.48 80.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.574 -178.156 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -59.18 -37.3 77.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.377 0.608 . . . . 0.0 110.526 177.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . 0.509 ' HB2' HH21 ' B' ' 113' ' ' ARG . 15.4 tppt? -77.98 -37.46 47.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.592 -179.57 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . 0.543 HD23 ' CE1' ' B' ' 88' ' ' PHE . 0.9 OUTLIER -58.85 -42.61 89.76 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.418 0.628 . . . . 0.0 110.208 175.59 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 119' ' ' LEU . . . . . 0.646 HD22 ' O ' ' B' ' 115' ' ' VAL . 3.7 mm? -67.0 -26.99 67.07 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.648 -1.16 . . . . 0.0 110.919 178.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -80.52 -36.45 33.18 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.671 -177.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 10.9 mp -69.76 -24.18 63.49 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-O 121.34 0.591 . . . . 0.0 109.971 170.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 72.8 34.96 58.87 Favored Glycine 0 N--CA 1.441 -1.019 0 CA-C-N 115.116 -0.947 . . . . 0.0 111.487 -175.018 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 76.7 mt -71.75 -28.42 63.64 Favored 'General case' 0 CA--C 1.512 -0.482 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 175.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 124' ' ' VAL . . . . . 0.525 HG21 ' CD2' ' B' ' 130' ' ' LEU . 25.3 m -140.8 173.77 8.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 114.147 -1.388 . . . . 0.0 109.502 177.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -115.51 -10.92 11.85 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.385 0.612 . . . . 0.0 110.313 178.255 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 126' ' ' GLU . . . . . 0.494 ' OE2' ' HB3' ' B' ' 128' ' ' ARG . 9.3 pt-20 -150.49 167.89 25.82 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.364 -0.835 . . . . 0.0 109.664 -179.406 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 127' ' ' ARG . . . . . 0.714 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 0.9 OUTLIER -78.23 -21.79 49.41 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.983 0.42 . . . . 0.0 110.328 177.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 128' ' ' ARG . . . . . 0.494 ' HB3' ' OE2' ' B' ' 126' ' ' GLU . 66.8 ttt180 -63.8 -23.51 67.39 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.937 -175.779 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 129' ' ' GLU . . . . . 0.453 ' HG3' ' CG ' ' B' ' 126' ' ' GLU . 40.4 mt-10 -78.93 -25.49 43.67 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.211 0.449 . . . . 0.0 112.211 -175.543 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 130' ' ' LEU . . . . . 0.714 ' HG ' ' O ' ' B' ' 127' ' ' ARG . 0.0 OUTLIER -82.76 13.91 3.54 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.73 0.776 . . . . 0.0 110.222 -176.864 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 131' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -123.03 131.89 53.89 Favored 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 176.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 34.3 tptt -35.45 -128.77 0.0 OUTLIER 'General case' 0 CA--C 1.558 1.256 0 C-N-CA 126.682 1.993 . . . . 0.0 114.931 -171.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . 0.561 ' O ' ' HG3' ' B' ' 135' ' ' GLN . 40.3 mtmt -52.11 171.65 0.05 OUTLIER 'General case' 0 N--CA 1.47 0.571 0 O-C-N 121.338 -0.851 . . . . 0.0 111.184 -176.441 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 134' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.22 79.8 0.05 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.724 0.773 . . . . 0.0 111.538 -177.835 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 135' ' ' GLN . . . . . 0.561 ' HG3' ' O ' ' B' ' 133' ' ' LYS . 0.0 OUTLIER -78.34 168.69 19.43 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 114.365 -1.288 . . . . 0.0 112.48 176.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt -127.04 -149.12 0.4 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.808 -1.087 . . . . 0.0 108.362 174.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 137' ' ' LYS . . . . . 0.528 ' HG2' ' O ' ' B' ' 137' ' ' LYS . 0.0 OUTLIER -77.09 83.74 3.59 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 122.292 1.044 . . . . 0.0 111.122 178.052 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 138' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' B' ' 139' ' ' ALA . 2.6 pt? -141.7 172.72 12.3 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.286 -0.87 . . . . 0.0 108.903 174.601 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 139' ' ' ALA . . . . . 0.45 ' O ' ' HG ' ' B' ' 138' ' ' LEU . . . -62.22 163.3 8.44 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 175.567 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 18.3 t -57.49 105.86 0.28 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.989 0.423 . . . . 0.0 110.613 -177.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 141' ' ' SER . . . . . . . . . . . . . 4.9 t . . . . . 0 C--O 1.248 0.999 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 -176.046 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . 0.437 ' OD2' ' HA ' ' B' ' 45' ' ' ARG . 8.9 p-10 . . . . . 0 N--CA 1.48 1.027 0 CA-C-O 120.748 0.309 . . . . 0.0 110.315 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -96.92 15.74 0.75 Allowed 'Trans proline' 0 N--CA 1.45 -1.058 0 C-N-CA 123.074 2.516 . . . . 0.0 111.488 171.076 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' SER . . . . . 0.436 ' HB2' ' OD1' ' B' ' 1' ' ' ASP . 74.6 m -75.55 -55.57 5.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.619 -173.578 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . 0.478 ' HD3' ' HG2' ' B' ' 44' ' ' PRO . 9.4 ptm180 -151.67 -171.65 3.99 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 -179.748 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 4.8 ptp180 -77.76 166.04 23.44 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 172.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . 0.626 ' HB3' ' NH2' ' B' ' 45' ' ' ARG . . . -71.49 123.0 88.7 Favored Pre-proline 0 C--N 1.316 -0.886 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.214 179.799 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . 0.449 ' HG2' ' HD2' ' B' ' 44' ' ' PRO . 37.3 Cg_exo -60.79 142.48 97.82 Favored 'Trans proline' 0 C--O 1.236 0.423 0 C-N-CA 122.902 2.402 . . . . 0.0 111.866 175.254 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 10.7 p -75.13 136.09 41.11 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.816 0.341 . . . . 0.0 110.686 178.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 83.6 m95 -80.79 122.95 27.81 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.922 -175.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 37.6 t -76.61 149.41 80.98 Favored Pre-proline 0 C--N 1.322 -0.629 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 169.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -53.71 -29.86 53.52 Favored 'Trans proline' 0 CA--C 1.531 0.346 0 C-N-CA 122.495 2.13 . . . . 0.0 111.549 176.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -70.04 -31.05 68.5 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.627 177.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -84.66 -38.08 20.23 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.738 -176.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -64.9 -33.33 75.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.203 0.525 . . . . 0.0 110.283 177.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.88 -33.15 71.85 Favored 'General case' 0 C--O 1.221 -0.418 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.953 174.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.439 ' HA ' ' HB3' ' B' ' 19' ' ' GLU . 12.4 t-160 -71.55 -28.32 63.78 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.326 175.806 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 20.1 tp -66.42 -46.91 74.94 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.517 177.382 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . 0.724 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 13.8 ptp180 -73.65 -29.91 62.62 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 175.745 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . 0.439 ' HB3' ' HA ' ' B' ' 16' ' ' HIS . 16.0 tp10 -52.74 -55.38 23.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.417 0.627 . . . . 0.0 110.455 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.442 ' HB3' HG12 ' B' ' 36' ' ' ILE . 0.3 OUTLIER -68.16 -27.62 66.58 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.06 -0.973 . . . . 0.0 111.006 -178.561 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -73.29 -52.82 12.55 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.297 179.207 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.724 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 52.4 mt -60.9 -25.47 66.76 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.468 -178.089 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.42 -56.68 4.58 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.172 176.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' ASN . . . . . 0.579 ' O ' HG22 ' B' ' 27' ' ' VAL . 40.3 m-80 -97.54 20.23 12.12 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -171.115 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.579 ' HG3' ' OD1' ' B' ' 26' ' ' ASP . 12.8 ptmm? -79.93 -23.15 41.93 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 122.014 -0.428 . . . . 0.0 110.779 178.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . 0.579 ' OD1' ' HG3' ' B' ' 25' ' ' LYS . 1.4 m-20 -100.78 13.17 35.81 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.628 -174.616 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . 0.579 HG22 ' O ' ' B' ' 24' ' ' ASN . 22.1 m -90.94 141.21 14.75 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.791 0 CA-C-O 120.977 0.418 . . . . 0.0 110.079 177.512 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -120.91 136.61 54.91 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 -179.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.26 -0.83 69.1 Favored Glycine 0 N--CA 1.45 -0.387 0 N-CA-C 110.494 -1.042 . . . . 0.0 110.494 -172.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -136.81 148.79 47.38 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 114.633 -0.783 . . . . 0.0 109.577 179.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -86.17 136.1 33.33 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.176 173.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . 0.624 ' O ' HG13 ' B' ' 36' ' ' ILE . 13.4 p -67.12 -37.32 79.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 172.696 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . 0.744 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 0.2 OUTLIER -56.63 -57.1 10.57 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 CA-C-N 115.052 -0.976 . . . . 0.0 110.495 178.872 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -53.25 -38.04 62.65 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.404 -177.125 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.52 -53.12 59.52 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.591 176.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.624 HG13 ' O ' ' B' ' 32' ' ' VAL . 36.2 mt -62.61 -59.47 4.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.128 -177.252 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.744 ' HG ' ' O ' ' B' ' 33' ' ' VAL . 8.8 mt -49.04 -41.6 35.56 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 123.922 0.764 . . . . 0.0 111.553 -173.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.79 -34.84 16.94 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.437 -0.801 . . . . 0.0 113.069 -170.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 31.8 m-70 -78.11 -29.54 49.02 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -172.278 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' B' ' 36' ' ' ILE . 0.7 OUTLIER -93.32 81.07 4.42 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.893 0.854 . . . . 0.0 111.478 178.735 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 51.5 m-80 -81.41 42.94 0.7 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.704 177.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' THR . . . . . 0.439 HG22 ' HB2' ' B' ' 40' ' ' LEU . 3.5 t -105.63 -18.6 14.03 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 114.798 -1.092 . . . . 0.0 109.882 -178.706 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . 0.439 ' HB ' HH11 ' B' ' 45' ' ' ARG . 3.4 m -133.18 107.08 12.33 Favored Pre-proline 0 N--CA 1.454 -0.259 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.969 -178.307 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . 0.478 ' HG2' ' HD3' ' B' ' 4' ' ' ARG . 10.1 Cg_exo -65.88 99.98 0.41 Allowed 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 122.464 2.109 . . . . 0.0 111.048 169.771 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.626 ' NH2' ' HB3' ' B' ' 6' ' ' ALA . 4.7 ptm180 -156.29 169.83 23.66 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-O 120.922 0.392 . . . . 0.0 110.983 179.777 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 14.7 t -75.8 162.23 28.35 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.907 175.478 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . 0.542 ' N ' ' HD3' ' B' ' 47' ' ' ARG . 0.3 OUTLIER -74.18 -25.35 59.66 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.327 -172.646 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -55.18 -35.25 64.61 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.207 175.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -64.78 -43.5 93.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.248 -176.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . 0.426 ' HB ' ' CD2' ' B' ' 37' ' ' LEU . 3.0 mp -61.87 -51.7 69.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.389 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . 0.436 HG22 ' CG ' ' B' ' 66' ' ' PHE . 68.7 mt -56.71 -42.36 76.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.653 179.181 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -63.59 -46.17 87.07 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.202 -0.908 . . . . 0.0 112.607 -174.779 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 85.6 m-70 -68.67 -27.33 65.89 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 120.299 -0.56 . . . . 0.0 111.559 -178.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 70.0 mt -72.82 -46.02 55.32 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.235 0.541 . . . . 0.0 110.501 -176.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . 0.492 HG11 ' C ' ' B' ' 62' ' ' SER . 20.3 m -74.5 -24.78 18.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 121.416 0.627 . . . . 0.0 110.414 179.634 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -83.72 -17.84 39.91 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.098 178.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 7.1 ttp -90.55 5.51 47.5 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.455 0.645 . . . . 0.0 110.288 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 77.41 2.41 79.56 Favored Glycine 0 N--CA 1.453 -0.232 0 CA-C-N 115.859 -0.61 . . . . 0.0 113.651 172.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 4.4 pp -90.55 -13.32 34.78 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.113 0.482 . . . . 0.0 110.256 178.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -137.14 166.2 24.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.862 174.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -83.74 -67.62 0.78 Allowed 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -176.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' SER . . . . . 0.492 ' C ' HG11 ' B' ' 55' ' ' VAL . 52.4 m -151.31 171.77 16.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.992 -173.307 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 38.7 t -58.02 -30.65 39.33 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.386 0 CA-C-O 121.484 0.659 . . . . 0.0 109.503 173.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . 0.516 ' HD3' ' N ' ' B' ' 72' ' ' HIS . 36.0 mttp -65.29 -21.76 66.76 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.77 -1.105 . . . . 0.0 111.025 -178.734 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -80.01 -31.09 39.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.38 0.61 . . . . 0.0 110.008 -179.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' PHE . . . . . 0.436 ' CG ' HG22 ' B' ' 51' ' ' ILE . 20.2 m-85 -84.22 -48.05 10.19 Favored 'General case' 0 CA--C 1.511 -0.53 0 CA-C-O 122.132 0.968 . . . . 0.0 109.931 174.571 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -134.67 85.25 2.17 Favored 'General case' 0 N--CA 1.439 -0.987 0 CA-C-N 113.617 -1.628 . . . . 0.0 110.033 -172.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 10.9 ptt180 -66.32 81.35 0.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 122.249 1.023 . . . . 0.0 110.609 174.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -111.81 -35.38 5.74 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.108 -1.405 . . . . 0.0 108.87 179.203 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -135.79 85.17 0.25 Allowed Glycine 0 N--CA 1.446 -0.697 0 N-CA-C 109.775 -1.33 . . . . 0.0 109.775 170.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 71' ' ' THR . . . . . 0.432 ' C ' ' H ' ' B' ' 73' ' ' ILE . 0.9 OUTLIER -68.41 168.34 12.85 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 113.205 0.817 . . . . 0.0 113.205 -170.369 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . 0.516 ' N ' ' HD3' ' B' ' 64' ' ' LYS . 13.3 p-80 -79.51 6.3 10.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 114.923 -1.035 . . . . 0.0 109.109 175.113 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . 0.5 HG22 ' O ' ' B' ' 74' ' ' VAL . 0.6 OUTLIER -81.97 126.81 39.97 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.998 0 CA-C-O 122.412 1.101 . . . . 0.0 112.69 -167.129 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . 0.5 ' O ' HG22 ' B' ' 73' ' ' ILE . 0.9 OUTLIER -55.3 133.84 18.89 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.875 0 CA-C-N 112.946 -1.934 . . . . 0.0 109.673 166.271 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . 0.521 ' O ' ' HG ' ' B' ' 75' ' ' LEU . 0.7 OUTLIER -49.02 108.15 0.17 Allowed 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 121.287 0.565 . . . . 0.0 111.15 -178.185 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 76' ' ' TRP . . . . . 0.554 ' CH2' HD22 ' B' ' 84' ' ' LEU . 64.4 m95 -101.64 112.32 24.86 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.298 -177.616 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 77' ' ' THR . . . . . 0.588 ' O ' ' HG3' ' B' ' 81' ' ' GLU . 73.9 p -97.99 153.93 18.04 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 172.34 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -53.39 -34.76 49.22 Favored Glycine 0 C--N 1.329 0.176 0 C-N-CA 121.004 -0.617 . . . . 0.0 112.247 -178.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -67.27 -50.11 61.74 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.497 -0.352 . . . . 0.0 110.746 176.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -65.66 -33.3 75.56 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.819 -178.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 81' ' ' GLU . . . . . 0.588 ' HG3' ' O ' ' B' ' 77' ' ' THR . 78.7 mt-10 -62.62 -40.43 96.93 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.079 0.466 . . . . 0.0 109.927 177.186 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 41.3 tp -66.73 -40.84 88.52 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.593 176.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -58.96 -36.52 74.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.48 177.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . 0.554 HD22 ' CH2' ' B' ' 76' ' ' TRP . 58.7 tp -64.56 -50.49 67.1 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.862 173.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -55.58 -53.52 55.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.837 -177.6 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 55.0 mtm180 -63.91 -40.33 96.23 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.731 -174.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . 0.485 ' O ' ' HB2' ' B' ' 90' ' ' GLU . 1.4 mp -73.13 -30.35 63.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.15 0.5 . . . . 0.0 110.613 178.346 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.596 ' O ' ' HB2' ' B' ' 92' ' ' ARG . 12.9 t80 -59.98 -36.2 76.65 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.257 174.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -80.14 -32.75 38.91 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.016 0.436 . . . . 0.0 110.695 177.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . 0.485 ' HB2' ' O ' ' B' ' 87' ' ' LEU . 12.5 mm-40 -49.39 -52.73 26.56 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.254 -0.884 . . . . 0.0 112.236 178.262 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -109.28 17.5 21.46 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.091 0.472 . . . . 0.0 111.13 -175.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 92' ' ' ARG . . . . . 0.596 ' HB2' ' O ' ' B' ' 88' ' ' PHE . 37.8 ttt85 -66.91 -27.63 67.65 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.354 -177.671 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -89.28 12.42 16.12 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.176 0.512 . . . . 0.0 110.816 -179.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 15.2 m -103.71 176.25 5.21 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 176.119 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -77.59 -26.95 51.13 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.591 -179.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 96' ' ' ASP . . . . . 0.418 ' HA ' ' HB2' ' B' ' 131' ' ' TYR . 21.2 t70 -135.91 105.94 6.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.042 0.448 . . . . 0.0 110.277 176.736 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 97' ' ' VAL . . . . . 0.615 ' O ' HG13 ' B' ' 101' ' ' ILE . 11.8 p -77.5 -40.18 28.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.388 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . 0.416 ' O ' ' HG3' ' B' ' 102' ' ' MET . 3.1 mp -68.81 -44.86 72.65 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 -167.73 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 99' ' ' GLY . . . . . 0.522 ' O ' ' HD3' ' B' ' 103' ' ' LYS . . . -62.63 -28.43 71.45 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.313 -0.946 . . . . 0.0 112.07 -178.074 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 55.7 m-70 -84.67 -27.54 27.02 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -178.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 101' ' ' ILE . . . . . 0.615 HG13 ' O ' ' B' ' 97' ' ' VAL . 78.2 mt -62.75 -54.12 37.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 171.811 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 102' ' ' MET . . . . . 0.416 ' HG3' ' O ' ' B' ' 98' ' ' LEU . 49.0 mtp -59.47 -37.08 77.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.858 -172.718 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 103' ' ' LYS . . . . . 0.522 ' HD3' ' O ' ' B' ' 99' ' ' GLY . 14.3 mptt -84.87 -16.56 40.84 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 -178.027 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -110.97 10.31 22.21 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -177.105 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 105' ' ' ILE . . . . . 0.446 HG21 ' O ' ' B' ' 107' ' ' ALA . 9.7 tp -113.7 154.16 15.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.158 0.504 . . . . 0.0 111.016 179.446 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 106' ' ' THR . . . . . 0.419 ' N ' HG13 ' B' ' 105' ' ' ILE . 13.4 t -61.35 -32.56 72.45 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.312 -0.858 . . . . 0.0 112.164 -176.579 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . 0.446 ' O ' HG21 ' B' ' 105' ' ' ILE . . . -111.54 127.0 55.58 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.998 -0.281 . . . . 0.0 110.432 179.308 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.65 101.44 11.52 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.33 0.586 . . . . 0.0 109.934 179.001 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 109' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' B' ' 109' ' ' ARG . 40.7 mtt180 -97.11 175.46 6.29 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.266 -176.14 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 46.9 t -100.9 155.97 17.64 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.441 177.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 22.2 mmt85 -58.76 -51.22 70.89 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.005 -178.06 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -64.82 -19.71 66.0 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.861 0.362 . . . . 0.0 111.923 -175.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -83.56 -36.26 24.11 Favored 'General case' 0 CA--C 1.511 -0.528 0 CA-C-O 121.188 0.518 . . . . 0.0 110.162 177.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 74.0 mt -71.16 -49.03 51.43 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.779 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.659 -176.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 115' ' ' VAL . . . . . 0.522 ' O ' HD23 ' B' ' 119' ' ' LEU . 26.8 m -64.02 -38.77 83.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.686 179.587 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -58.56 -43.87 89.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.191 0.519 . . . . 0.0 110.48 177.356 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . 0.444 ' HD3' ' CD1' ' B' ' 76' ' ' TRP . 50.7 tptt -67.66 -40.2 84.5 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.882 179.754 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 2.6 mp -57.69 -47.31 82.7 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.847 0.356 . . . . 0.0 111.531 178.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 119' ' ' LEU . . . . . 0.522 HD23 ' O ' ' B' ' 115' ' ' VAL . 4.5 mm? -68.1 -26.2 65.7 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.765 -178.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -81.47 -38.2 26.74 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.321 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 96.6 mt -69.98 -24.18 63.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.364 175.089 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 78.56 34.9 34.11 Favored Glycine 0 N--CA 1.441 -0.988 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 -175.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 74.5 mt -79.19 -24.17 43.36 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.458 0.647 . . . . 0.0 109.383 177.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 124' ' ' VAL . . . . . 0.416 HG23 ' CD2' ' B' ' 130' ' ' LEU . 16.0 m -144.89 176.81 2.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 114.716 -1.129 . . . . 0.0 109.652 179.218 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -115.17 -18.16 11.21 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.198 0.523 . . . . 0.0 110.048 177.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 126' ' ' GLU . . . . . 0.42 ' CG ' ' HG3' ' B' ' 129' ' ' GLU . 14.4 pt-20 -147.32 170.43 17.33 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.206 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 127' ' ' ARG . . . . . 0.501 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 0.3 OUTLIER -77.84 -20.56 52.89 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 179.71 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 128' ' ' ARG . . . . . 0.449 ' HA ' ' HB3' ' B' ' 132' ' ' LYS . 13.5 ttm-85 -61.02 -43.93 98.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.949 0.405 . . . . 0.0 112.043 -178.005 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 129' ' ' GLU . . . . . 0.42 ' HG3' ' CG ' ' B' ' 126' ' ' GLU . 40.2 mt-10 -60.3 -29.56 68.92 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 -169.408 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 130' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' B' ' 127' ' ' ARG . 0.1 OUTLIER -84.6 -40.49 17.44 Favored 'General case' 0 C--N 1.314 -0.945 0 C-N-CA 120.725 -0.39 . . . . 0.0 111.418 -173.597 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 131' ' ' TYR . . . . . 0.418 ' HB2' ' HA ' ' B' ' 96' ' ' ASP . 0.0 OUTLIER -158.83 39.96 0.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 119.325 -0.95 . . . . 0.0 113.492 -174.882 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . 0.449 ' HB3' ' HA ' ' B' ' 128' ' ' ARG . 15.5 tppt? -134.43 72.09 1.46 Allowed 'General case' 0 C--N 1.311 -1.097 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 166.059 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . 0.4 ' HD2' ' N ' ' B' ' 133' ' ' LYS . 0.7 OUTLIER -75.04 78.39 2.22 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 122.01 0.91 . . . . 0.0 110.682 -177.186 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 134' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -130.27 78.15 1.83 Allowed 'General case' 0 N--CA 1.441 -0.885 0 CA-C-N 114.204 -1.362 . . . . 0.0 107.996 171.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -117.17 103.75 10.51 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 114.286 -1.325 . . . . 0.0 110.147 -178.174 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -91.37 49.29 1.58 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 122.997 1.379 . . . . 0.0 108.608 174.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 137' ' ' LYS . . . . . 0.537 ' HD3' ' N ' ' B' ' 138' ' ' LEU . 11.6 tmtt? -152.11 141.71 21.76 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 112.471 -2.15 . . . . 0.0 106.537 175.007 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 138' ' ' LEU . . . . . 0.537 ' N ' ' HD3' ' B' ' 137' ' ' LYS . 8.4 mp -71.37 90.42 0.95 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 118.146 0.43 . . . . 0.0 110.375 178.557 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . -125.11 -177.28 3.81 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.102 -176.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 25.2 t -112.88 83.65 1.86 Allowed 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 173.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 141' ' ' SER . . . . . . . . . . . . . 58.6 m . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.467 -0.778 . . . . 0.0 109.554 178.187 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . 0.466 ' H2 ' ' HD2' ' B' ' 2' ' ' PRO . 0.9 OUTLIER . . . . . 0 N--CA 1.485 1.313 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . 0.466 ' HD2' ' H2 ' ' B' ' 1' ' ' ASP . 85.8 Cg_endo -75.58 -2.66 12.85 Favored 'Trans proline' 0 C--N 1.358 1.049 0 C-N-CA 121.552 1.502 . . . . 0.0 113.126 -175.128 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 2.9 p -84.39 27.71 0.68 Allowed 'General case' 0 C--O 1.235 0.294 0 CA-C-O 122.041 0.924 . . . . 0.0 110.439 176.326 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . 0.429 ' H ' ' C ' ' B' ' 2' ' ' PRO . 14.7 ptm180 -87.72 -161.35 0.7 Allowed 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.173 -1.376 . . . . 0.0 108.452 175.333 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . 0.411 ' HD2' ' C ' ' B' ' 5' ' ' ARG . 2.2 tmm_? -49.28 107.7 0.16 Allowed 'General case' 0 C--O 1.231 0.095 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 168.76 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . 0.548 ' CB ' ' HB3' ' B' ' 45' ' ' ARG . . . -79.04 152.1 76.54 Favored Pre-proline 0 C--N 1.319 -0.751 0 CA-C-N 115.244 -0.889 . . . . 0.0 112.439 -163.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -43.73 134.34 7.55 Favored 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 124.482 3.455 . . . . 0.0 113.188 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 23.8 m -63.98 131.8 48.73 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.935 178.304 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 66.8 m95 -68.94 141.83 54.88 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.284 0.564 . . . . 0.0 111.796 -175.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 45.0 p -96.66 151.86 38.18 Favored Pre-proline 0 C--N 1.316 -0.879 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 168.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_exo -56.93 -28.98 80.43 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 121.92 1.747 . . . . 0.0 111.345 178.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -65.27 -42.87 92.8 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.361 176.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -75.72 -35.58 60.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.524 -178.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -67.15 -31.59 72.12 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.1 0.476 . . . . 0.0 110.204 176.259 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.41 -34.13 77.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.124 0.488 . . . . 0.0 110.158 173.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.504 ' HA ' ' CB ' ' B' ' 19' ' ' GLU . 12.0 t-160 -76.24 -27.84 56.92 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.349 176.371 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.423 ' CD2' ' HB2' ' B' ' 53' ' ' HIS . 27.4 tp -64.48 -47.93 77.14 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 176.379 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . 0.686 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 13.1 ptt180 -75.13 -27.57 59.83 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.001 175.692 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . 0.504 ' CB ' ' HA ' ' B' ' 16' ' ' HIS . 11.1 tp10 -50.37 -52.2 39.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.508 0.671 . . . . 0.0 110.038 176.428 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.415 HD12 ' HA ' ' B' ' 36' ' ' ILE . 0.3 OUTLIER -70.53 -32.72 70.29 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 114.889 -1.05 . . . . 0.0 111.437 -178.48 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 65.8 t80 -71.36 -51.55 23.54 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-O 120.823 0.344 . . . . 0.0 110.328 -178.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.686 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 49.1 mt -59.46 -28.54 67.07 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.4 -178.444 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.73 -46.26 38.6 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.731 179.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 -97.68 -2.32 41.65 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -171.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 14.6 ptmm? -71.71 -12.41 61.3 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.07 0.462 . . . . 0.0 110.961 -179.331 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -96.94 6.69 48.17 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.338 0.589 . . . . 0.0 110.488 -176.193 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 42.6 t -112.94 108.3 25.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.092 -176.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -80.28 141.21 35.74 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.841 -179.038 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 92.93 -19.34 52.51 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.521 178.165 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -91.88 144.13 25.79 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-O 120.959 0.409 . . . . 0.0 110.356 178.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -69.16 95.72 0.77 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.686 172.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . 0.578 ' O ' HG13 ' B' ' 36' ' ' ILE . 9.8 p -62.32 -39.06 82.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 C-N-CA 120.605 -0.438 . . . . 0.0 109.973 179.325 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . 0.838 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 1.8 m -65.01 -49.18 80.9 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.542 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.104 -179.578 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 47.5 tp10 -66.37 -32.5 73.92 Favored 'General case' 0 CA--C 1.521 -0.138 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 -178.169 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.35 -49.5 74.2 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.696 173.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.578 HG13 ' O ' ' B' ' 32' ' ' VAL . 48.1 mt -68.39 -57.45 9.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.839 -179.519 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.838 ' HG ' ' O ' ' B' ' 33' ' ' VAL . 14.9 mt -48.09 -40.14 22.42 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 123.557 0.536 . . . . 0.0 111.466 -175.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -89.06 -40.29 13.06 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 -171.496 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 39.6 m-70 -74.9 -24.98 58.61 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.726 -0.39 . . . . 0.0 111.904 -171.189 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' B' ' 36' ' ' ILE . 0.8 OUTLIER -99.04 80.64 2.49 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-O 121.948 0.88 . . . . 0.0 110.224 172.464 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -85.89 39.34 0.8 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 122.206 1.003 . . . . 0.0 108.876 -179.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' THR . . . . . 0.426 ' H ' ' C ' ' B' ' 40' ' ' LEU . 2.7 t -100.42 -17.26 17.28 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.226 -1.352 . . . . 0.0 109.756 -178.345 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . 0.499 ' HB ' HH11 ' B' ' 45' ' ' ARG . 2.8 m -131.56 105.69 14.39 Favored Pre-proline 0 N--CA 1.449 -0.503 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.521 -178.184 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . 0.461 ' HG2' ' HB2' ' B' ' 2' ' ' PRO . 7.1 Cg_exo -73.19 101.31 1.33 Allowed 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.758 2.305 . . . . 0.0 110.531 172.046 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.548 ' HB3' ' CB ' ' B' ' 6' ' ' ALA . 0.3 OUTLIER -155.97 176.76 12.23 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.173 0.511 . . . . 0.0 111.814 -174.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' THR . . . . . 0.522 ' OG1' ' HG3' ' B' ' 49' ' ' GLN . 71.3 p -75.3 147.38 40.24 Favored 'General case' 0 N--CA 1.441 -0.925 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.545 178.457 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 8.8 mmt180 -68.68 -29.45 67.91 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.144 0.497 . . . . 0.0 109.795 -173.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -51.36 -35.99 41.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.064 -0.971 . . . . 0.0 111.487 176.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.522 ' HG3' ' OG1' ' B' ' 46' ' ' THR . 52.9 mt-30 -64.59 -45.12 88.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.263 -175.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 1.8 mp -56.24 -51.73 59.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 O-C-N 123.175 0.297 . . . . 0.0 110.791 -179.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . 0.488 HG22 ' CD1' ' B' ' 66' ' ' PHE . 2.9 mp -59.51 -43.99 91.98 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 CA-C-O 121.176 0.513 . . . . 0.0 110.282 179.285 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -64.38 -45.52 87.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.614 -176.034 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' HIS . . . . . 0.423 ' HB2' ' CD2' ' B' ' 17' ' ' LEU . 74.8 m-70 -67.31 -26.55 66.58 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 120.741 -0.384 . . . . 0.0 111.065 -176.567 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . 0.446 ' HB3' HD12 ' B' ' 59' ' ' LEU . 65.1 mt -74.43 -46.92 36.86 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.723 -179.357 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 21.1 m -73.07 -19.73 18.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.284 0.564 . . . . 0.0 110.539 178.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -84.05 -18.62 36.4 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.912 175.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 6.1 ttp -94.01 10.9 31.67 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.333 0.587 . . . . 0.0 111.1 -175.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 68.84 21.63 75.19 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.978 -0.629 . . . . 0.0 113.452 173.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . 0.446 HD12 ' HB3' ' B' ' 54' ' ' LEU . 3.8 pp -109.57 -16.11 14.03 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.428 0.632 . . . . 0.0 109.829 176.38 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -134.99 150.19 50.3 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.112 -0.949 . . . . 0.0 109.131 175.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -78.11 -56.57 4.37 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -175.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 13.2 m -149.21 172.07 15.44 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.797 -0.361 . . . . 0.0 111.548 -174.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 39.8 t -57.45 -28.16 30.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.933 179.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 28.8 mttm -61.54 -21.49 64.31 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.579 -176.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -66.9 -27.79 67.78 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.719 0.771 . . . . 0.0 109.995 178.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' PHE . . . . . 0.488 ' CD1' HG22 ' B' ' 51' ' ' ILE . 73.5 m-85 -110.43 -47.22 3.3 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.865 -1.061 . . . . 0.0 110.671 -177.05 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -127.92 83.6 2.17 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.096 -0.957 . . . . 0.0 110.16 -176.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 28.4 ttp180 -69.52 85.87 0.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.334 0.587 . . . . 0.0 110.379 175.331 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -109.74 -24.87 10.67 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.589 177.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -149.29 118.44 0.95 Allowed Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.38 -0.914 . . . . 0.0 112.724 -177.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 71' ' ' THR . . . . . 0.454 ' OG1' ' HB3' ' B' ' 110' ' ' SER . 1.9 p -124.19 100.36 6.67 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.149 0.499 . . . . 0.0 111.21 174.584 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . 0.784 ' CE1' ' HB ' ' B' ' 73' ' ' ILE . 12.6 p80 -54.03 -40.66 67.28 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.141 -0.936 . . . . 0.0 108.507 170.13 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . 0.784 ' HB ' ' CE1' ' B' ' 72' ' ' HIS . 0.6 OUTLIER -165.93 149.31 1.92 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.713 0 CA-C-N 113.242 -1.799 . . . . 0.0 107.373 -174.631 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 27.9 m -109.91 149.92 12.73 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.522 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 168.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -48.51 95.57 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.687 0.756 . . . . 0.0 111.37 -172.365 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 76' ' ' TRP . . . . . 0.444 ' HE1' ' HD2' ' B' ' 113' ' ' ARG . 18.2 m95 -91.35 108.71 20.07 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.205 -171.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 65.1 p -112.16 168.09 9.89 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.431 176.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.51 -38.41 80.41 Favored Glycine 0 CA--C 1.517 0.176 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.226 178.197 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . 0.43 ' O ' ' HG3' ' B' ' 83' ' ' GLU . 3.0 m-20 -63.05 -57.05 11.96 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.935 0.398 . . . . 0.0 110.632 178.284 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 80' ' ' GLN . . . . . 0.42 ' HG3' HH21 ' B' ' 109' ' ' ARG . 24.8 tt0 -61.11 -34.97 75.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.574 -177.076 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -66.93 -44.16 81.4 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.159 178.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 3.2 tt -61.42 -31.54 71.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.779 177.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . 0.43 ' HG3' ' O ' ' B' ' 79' ' ' ASP . 53.5 mt-10 -61.48 -56.41 20.46 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.885 0.374 . . . . 0.0 110.644 176.515 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 45.6 tp -59.11 -40.81 86.52 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.252 -173.031 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -55.64 -52.11 64.92 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 123.344 0.403 . . . . 0.0 110.889 179.198 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 86' ' ' ARG . . . . . 0.438 ' O ' ' HG2' ' B' ' 90' ' ' GLU . 50.0 mtm105 -60.55 -54.95 39.31 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.811 -175.635 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 7.5 mp -61.89 -38.05 86.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.54 -176.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.627 ' CE1' ' HB3' ' B' ' 123' ' ' LEU . 11.5 t80 -54.79 -45.03 74.26 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.323 178.395 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -71.55 -35.17 70.54 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.596 -0.274 . . . . 0.0 111.498 -176.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . 0.438 ' HG2' ' O ' ' B' ' 86' ' ' ARG . 8.7 pt-20 -88.42 -19.58 26.37 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.649 -0.421 . . . . 0.0 111.951 -171.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -104.6 8.67 35.38 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.206 0.527 . . . . 0.0 110.27 173.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 92' ' ' ARG . . . . . 0.443 ' HB2' ' O ' ' B' ' 88' ' ' PHE . 53.3 ttt180 -67.89 -22.7 65.08 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.838 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -95.65 10.76 35.68 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.162 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 38.7 m -102.9 177.48 4.83 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.279 -177.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -67.68 -38.88 84.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.959 -174.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -143.84 108.3 4.83 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 173.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 97' ' ' VAL . . . . . 0.563 ' O ' HG13 ' B' ' 101' ' ' ILE . 3.5 p -63.31 -41.83 94.16 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.268 -175.223 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . 0.421 ' O ' ' HB ' ' B' ' 101' ' ' ILE . 4.7 mp -67.28 -43.14 82.54 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 111.706 0.261 . . . . 0.0 111.706 -175.647 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 99' ' ' GLY . . . . . 0.619 ' O ' ' HD3' ' B' ' 103' ' ' LYS . . . -63.26 -42.41 99.31 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 121.08 -0.581 . . . . 0.0 112.074 179.796 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 31.5 m-70 -71.2 -30.57 66.55 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 101' ' ' ILE . . . . . 0.563 HG13 ' O ' ' B' ' 97' ' ' VAL . 48.6 mt -57.64 -56.8 13.32 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.237 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.772 170.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 102' ' ' MET . . . . . 0.556 ' HE1' ' O ' ' B' ' 109' ' ' ARG . 50.9 mtt -55.1 -40.95 71.02 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.094 -0.503 . . . . 0.0 112.349 -175.572 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 103' ' ' LYS . . . . . 0.619 ' HD3' ' O ' ' B' ' 99' ' ' GLY . 5.1 mptp? -69.94 -34.97 74.14 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.531 -178.676 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 48.6 m-80 -100.72 3.09 42.02 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -174.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 105' ' ' ILE . . . . . 0.45 HG13 ' H ' ' B' ' 107' ' ' ALA . 10.8 tp -104.09 148.09 9.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.156 0.503 . . . . 0.0 111.005 -178.159 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.0 -37.52 64.38 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.701 -178.723 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . 0.45 ' H ' HG13 ' B' ' 105' ' ' ILE . . . -86.88 128.71 35.05 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-O 120.789 0.328 . . . . 0.0 110.765 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.91 101.05 13.67 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 176.68 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 109' ' ' ARG . . . . . 0.556 ' O ' ' HE1' ' B' ' 102' ' ' MET . 33.2 mtt180 -111.82 166.01 11.57 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.438 -175.696 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 110' ' ' SER . . . . . 0.475 ' O ' HG13 ' B' ' 114' ' ' ILE . 42.8 t -98.68 154.58 17.85 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 176.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 73.6 mtt180 -63.75 -38.12 89.92 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -175.071 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -55.53 -38.4 69.19 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.362 0.601 . . . . 0.0 111.11 178.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . 0.695 ' O ' ' HD3' ' B' ' 113' ' ' ARG . 6.8 tpp180 -84.65 -24.12 29.19 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.506 -178.468 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 114' ' ' ILE . . . . . 0.475 HG13 ' O ' ' B' ' 110' ' ' SER . 87.2 mt -73.86 -49.78 32.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 122.036 -0.415 . . . . 0.0 110.837 175.312 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 115' ' ' VAL . . . . . 0.485 ' O ' HD22 ' B' ' 119' ' ' LEU . 30.1 m -62.28 -38.83 82.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.18 -175.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 116' ' ' ASP . . . . . 0.411 ' HB3' ' NH1' ' B' ' 113' ' ' ARG . 20.5 t70 -67.21 -34.8 78.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.209 0.528 . . . . 0.0 110.297 179.14 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 52.3 tptt -70.03 -33.67 72.27 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.022 -176.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 17.1 mt -60.63 -44.88 95.84 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 121.012 0.434 . . . . 0.0 110.289 176.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 119' ' ' LEU . . . . . 0.485 HD22 ' O ' ' B' ' 115' ' ' VAL . 4.4 mm? -60.89 -28.93 69.25 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.942 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.96 -38.93 52.34 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.031 -177.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 11.0 mp -75.21 -25.34 58.09 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.764 175.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 80.55 32.8 32.92 Favored Glycine 0 N--CA 1.446 -0.682 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 -173.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . 0.627 ' HB3' ' CE1' ' B' ' 88' ' ' PHE . 78.4 mt -78.29 -24.41 46.74 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-O 121.748 0.785 . . . . 0.0 109.244 179.083 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 124' ' ' VAL . . . . . 0.439 HG22 ' CD2' ' B' ' 130' ' ' LEU . 29.0 m -137.13 168.01 22.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 114.229 -1.35 . . . . 0.0 109.839 175.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -99.48 -20.28 16.5 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 115.685 -0.688 . . . . 0.0 109.982 177.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 126' ' ' GLU . . . . . 0.445 ' OE2' ' HB3' ' B' ' 128' ' ' ARG . 16.5 pt-20 -160.21 177.99 10.1 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.05 -176.636 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 127' ' ' ARG . . . . . 0.652 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 0.3 OUTLIER -77.79 -25.65 49.12 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.741 0.305 . . . . 0.0 111.485 -179.337 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 128' ' ' ARG . . . . . 0.445 ' HB3' ' OE2' ' B' ' 126' ' ' GLU . 15.7 ttt180 -55.81 -35.54 66.44 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -178.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -69.1 -25.29 64.35 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.761 0.315 . . . . 0.0 111.657 -176.273 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 130' ' ' LEU . . . . . 0.652 ' HG ' ' O ' ' B' ' 127' ' ' ARG . 0.1 OUTLIER -99.93 14.44 30.46 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.343 0.592 . . . . 0.0 110.638 -178.482 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 131' ' ' TYR . . . . . 0.498 ' CE1' ' HB3' ' B' ' 127' ' ' ARG . 22.1 m-85 -120.66 92.68 3.82 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 107.377 -1.342 . . . . 0.0 107.377 172.62 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -54.3 105.45 0.15 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.6 -1.182 . . . . 0.0 113.674 -165.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -86.88 142.48 28.0 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 114.768 -1.106 . . . . 0.0 108.519 168.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 134' ' ' ARG . . . . . 0.517 ' O ' ' HG2' ' B' ' 134' ' ' ARG . 0.0 OUTLIER -68.8 77.66 0.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 122.284 1.04 . . . . 0.0 110.619 176.591 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -133.05 111.86 11.33 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.778 -1.101 . . . . 0.0 110.077 176.494 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 44.3 mttp -96.39 72.16 2.77 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.804 0.812 . . . . 0.0 110.233 175.028 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.74 152.75 37.14 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 114.058 -1.428 . . . . 0.0 107.388 176.556 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 87.7 mt -43.83 103.55 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.435 0 O-C-N 123.761 0.663 . . . . 0.0 110.816 -177.182 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . -79.59 81.95 5.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.83 -172.012 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 19.5 m -130.77 111.48 12.19 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.162 172.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 141' ' ' SER . . . . . . . . . . . . . 8.3 m . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.785 -0.626 . . . . 0.0 110.378 -176.858 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . 0.404 ' H3 ' ' HD2' ' B' ' 2' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.201 0 CA-C-O 119.608 -0.234 . . . . 0.0 111.44 . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . 0.404 ' HD2' ' H3 ' ' B' ' 1' ' ' ASP . 71.6 Cg_endo -79.95 -43.29 0.13 Allowed 'Trans proline' 0 C--N 1.358 1.029 0 C-N-CA 121.537 1.491 . . . . 0.0 113.484 -173.343 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 35.3 t -109.14 -55.22 2.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.847 0.356 . . . . 0.0 110.98 -177.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -124.87 176.8 6.39 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 110.202 -0.296 . . . . 0.0 110.202 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 2.8 tmm_? -64.79 129.98 41.78 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 174.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.66 120.42 32.15 Favored Pre-proline 0 C--N 1.329 -0.301 0 O-C-N 123.519 0.512 . . . . 0.0 111.841 -175.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -58.98 178.64 0.25 Allowed 'Trans proline' 0 C--O 1.235 0.353 0 C-N-CA 123.23 2.62 . . . . 0.0 112.623 175.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 28.7 m -105.97 126.18 51.88 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.359 177.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' TRP . . . . . 0.499 ' CZ2' HG22 ' B' ' 43' ' ' VAL . 79.6 m95 -76.73 101.44 5.81 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.605 178.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 14.6 m -68.83 151.33 97.31 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.336 173.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -47.73 -41.3 31.34 Favored 'Trans proline' 0 CA--C 1.53 0.319 0 C-N-CA 122.821 2.348 . . . . 0.0 113.01 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -60.4 -42.71 96.5 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.095 0.474 . . . . 0.0 110.387 177.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -71.51 -32.7 68.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.216 -176.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . 0.402 ' O ' ' HB3' ' B' ' 17' ' ' LEU . 54.2 mt-10 -71.21 -34.4 70.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.057 0.456 . . . . 0.0 110.188 175.698 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.09 -28.6 67.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.234 0.54 . . . . 0.0 109.923 174.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.525 ' O ' ' HB3' ' B' ' 19' ' ' GLU . 11.5 t-160 -79.02 -31.42 44.67 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.1 175.43 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.446 HD12 HG21 ' B' ' 50' ' ' ILE . 27.6 tp -58.61 -53.47 57.96 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.626 174.27 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . 0.735 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 14.9 ptm180 -71.32 -28.39 64.06 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.547 177.155 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . 0.525 ' HB3' ' O ' ' B' ' 16' ' ' HIS . 8.6 tp10 -51.8 -50.03 61.56 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 121.66 0.743 . . . . 0.0 110.373 176.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.444 HD13 ' CB ' ' B' ' 39' ' ' HIS . 0.4 OUTLIER -73.62 -31.81 63.73 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.888 -1.051 . . . . 0.0 110.494 -177.894 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' TYR . . . . . 0.408 ' O ' ' HB3' ' B' ' 25' ' ' LYS . 71.3 t80 -68.94 -52.02 33.56 Favored 'General case' 0 C--O 1.222 -0.345 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.97 -179.729 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.735 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 49.1 mt -65.02 -22.42 66.99 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.84 -176.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.85 -37.26 62.26 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.772 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 -119.69 15.09 12.71 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -174.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.408 ' HB3' ' O ' ' B' ' 21' ' ' TYR . 14.9 ptmm? -72.47 -22.98 60.99 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.001 0.429 . . . . 0.0 111.426 -175.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -95.18 4.68 53.33 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.268 -175.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 37.8 t -90.48 108.01 19.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 178.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -89.22 135.53 33.52 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.594 -177.021 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.95 19.65 39.17 Favored Glycine 0 N--CA 1.447 -0.586 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -176.453 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -132.54 145.31 51.04 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.279 -0.46 . . . . 0.0 110.429 -177.661 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -77.59 95.27 4.52 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 173.001 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . 0.476 ' O ' HG13 ' B' ' 36' ' ' ILE . 4.3 p -63.44 -27.92 43.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 178.256 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . 0.768 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 1.7 t -62.73 -60.61 2.48 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.126 178.273 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.45 ' HA ' HD11 ' B' ' 37' ' ' LEU . 7.1 tp10 -61.0 -33.68 73.63 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.513 -177.235 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.46 -47.16 69.99 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.41 0.624 . . . . 0.0 109.599 175.316 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.476 HG13 ' O ' ' B' ' 32' ' ' VAL . 51.3 mt -74.14 -57.74 6.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.821 179.358 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.768 ' HG ' ' O ' ' B' ' 33' ' ' VAL . 13.1 mt -46.62 -45.14 18.86 Favored 'General case' 0 N--CA 1.474 0.775 0 O-C-N 123.825 0.703 . . . . 0.0 111.494 -175.248 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.85 -25.89 21.93 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.214 -0.903 . . . . 0.0 113.405 -169.246 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' HIS . . . . . 0.444 ' CB ' HD13 ' B' ' 20' ' ' LEU . 24.2 m-70 -85.98 -26.19 25.6 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.512 0.56 . . . . 0.0 112.512 -174.519 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' B' ' 36' ' ' ILE . 0.6 OUTLIER -97.81 83.28 3.15 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.917 0.865 . . . . 0.0 111.459 176.91 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 52.8 m-80 -83.41 39.7 0.68 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.64 0.733 . . . . 0.0 110.065 178.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' THR . . . . . 0.424 ' H ' ' C ' ' B' ' 40' ' ' LEU . 3.0 t -99.41 -10.98 21.56 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 114.73 -1.123 . . . . 0.0 109.198 175.798 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . 0.499 HG22 ' CZ2' ' B' ' 9' ' ' TRP . 2.0 m -140.37 103.14 6.6 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 115.136 -0.938 . . . . 0.0 111.508 -177.633 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -77.53 95.46 1.07 Allowed 'Trans proline' 0 CA--C 1.532 0.375 0 C-N-CA 122.072 1.848 . . . . 0.0 111.42 172.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.47 ' CD ' ' HB ' ' B' ' 43' ' ' VAL . 6.0 ptm180 -153.05 168.86 24.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.075 0.464 . . . . 0.0 111.72 -176.622 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 11.6 t -65.88 160.81 22.53 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.747 -177.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 -72.81 -27.3 61.88 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.904 -171.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 30.3 ttpt -55.89 -37.14 68.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.141 -0.936 . . . . 0.0 111.47 176.436 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 69.9 mm-40 -58.89 -53.03 63.02 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.517 -175.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . 0.491 ' HB ' ' CD2' ' B' ' 37' ' ' LEU . 3.0 mp -57.73 -49.07 82.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.849 -178.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . 0.504 HG21 ' CG ' ' B' ' 66' ' ' PHE . 77.3 mt -56.02 -47.35 80.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 121.462 0.649 . . . . 0.0 110.584 178.366 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' HIS . . . . . 0.523 ' O ' ' HB2' ' B' ' 56' ' ' GLN . 0.1 OUTLIER -54.49 -50.26 68.21 Favored 'General case' 0 C--O 1.22 -0.499 0 CA-C-N 114.906 -1.043 . . . . 0.0 111.644 -178.521 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -73.23 -22.07 60.5 Favored 'General case' 0 C--N 1.314 -0.965 0 C-N-CA 120.961 -0.296 . . . . 0.0 111.542 -170.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . 0.427 ' O ' ' HG ' ' B' ' 59' ' ' LEU . 79.7 mt -69.42 -50.47 45.51 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.806 0.336 . . . . 0.0 110.449 173.336 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 32.7 m -76.39 -31.16 20.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 C-N-CA 120.843 -0.343 . . . . 0.0 111.335 -178.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' GLN . . . . . 0.523 ' HB2' ' O ' ' B' ' 52' ' ' HIS . 0.0 OUTLIER -61.4 -29.77 70.14 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-O 121.021 0.438 . . . . 0.0 110.635 174.185 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 19.4 ttm -85.84 -0.64 55.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.957 -176.375 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 68.61 17.79 71.28 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 121.163 -0.541 . . . . 0.0 112.431 178.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' B' ' 54' ' ' LEU . 4.5 pp -99.09 -19.49 17.18 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.401 0.62 . . . . 0.0 109.889 178.495 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -115.99 168.27 10.23 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.172 -0.922 . . . . 0.0 109.791 175.203 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -81.35 -68.32 0.7 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.952 0.406 . . . . 0.0 111.764 -175.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' SER . . . . . 0.439 ' OG ' HG23 ' B' ' 73' ' ' ILE . 19.6 m -154.15 165.69 35.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.65 -173.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 49.3 t -68.82 -24.93 29.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.327 177.268 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . 0.581 ' HG2' ' HA ' ' B' ' 69' ' ' LYS . 46.4 mtpt -61.22 -34.39 75.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.428 -0.806 . . . . 0.0 111.215 -179.374 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -66.3 -31.48 72.31 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.055 -179.247 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' PHE . . . . . 0.504 ' CG ' HG21 ' B' ' 51' ' ' ILE . 19.9 m-85 -91.96 -50.39 5.73 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.464 -176.045 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -152.04 -89.96 0.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.508 0.671 . . . . 0.0 112.645 -170.555 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 53.3 ttt180 -69.66 105.85 2.85 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 114.68 -1.145 . . . . 0.0 110.994 -173.291 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . 0.581 ' HA ' ' HG2' ' B' ' 64' ' ' LYS . 60.7 pttt -87.87 12.53 12.86 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.232 -177.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -79.07 36.6 1.93 Allowed Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 121.176 -0.535 . . . . 0.0 112.118 176.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 71' ' ' THR . . . . . 0.419 ' HB ' ' HD2' ' B' ' 64' ' ' LYS . 0.9 OUTLIER -103.86 146.47 28.61 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 177.865 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -74.37 5.68 4.37 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.585 -0.279 . . . . 0.0 110.924 -178.072 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . 0.439 HG23 ' OG ' ' B' ' 62' ' ' SER . 7.9 mm -64.93 129.61 29.24 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 CA-C-O 121.862 0.839 . . . . 0.0 111.639 -176.743 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 26.9 m -78.95 152.13 4.95 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.02 0 CA-C-N 113.75 -1.568 . . . . 0.0 109.994 178.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -50.14 89.8 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.464 0.65 . . . . 0.0 111.862 179.741 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 76' ' ' TRP . . . . . 0.455 ' CH2' HD22 ' B' ' 84' ' ' LEU . 17.6 m95 -81.85 109.24 16.04 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 121.412 0.625 . . . . 0.0 110.018 -179.754 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 77' ' ' THR . . . . . 0.516 ' O ' ' HG3' ' B' ' 81' ' ' GLU . 70.9 p -114.35 163.25 15.55 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.374 179.745 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -54.83 -36.01 59.22 Favored Glycine 0 N--CA 1.453 -0.195 0 C-N-CA 120.512 -0.851 . . . . 0.0 111.924 177.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -72.26 -40.78 67.4 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.532 0.206 . . . . 0.0 110.749 178.531 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 80' ' ' GLN . . . . . 0.417 ' HG2' ' CZ3' ' B' ' 76' ' ' TRP . 25.5 tt0 -68.3 -36.52 79.47 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 121.052 -0.259 . . . . 0.0 110.796 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 81' ' ' GLU . . . . . 0.516 ' HG3' ' O ' ' B' ' 77' ' ' THR . 52.7 mt-10 -64.33 -35.14 79.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.957 0.408 . . . . 0.0 110.019 177.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 51.7 tp -68.43 -42.23 79.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.626 175.167 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -63.13 -27.56 69.46 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.667 177.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . 0.455 HD22 ' CH2' ' B' ' 76' ' ' TRP . 67.0 tp -72.37 -50.73 24.48 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 171.842 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -48.07 -61.36 2.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.936 179.101 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 72.8 mtt180 -56.86 -52.75 63.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.983 -174.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 7.3 mp -66.77 -32.82 74.35 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 111.871 0.323 . . . . 0.0 111.871 -176.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.496 ' CE1' ' HB3' ' B' ' 123' ' ' LEU . 13.8 t80 -55.34 -50.41 69.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.576 -0.283 . . . . 0.0 110.753 178.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -72.72 -38.02 67.6 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.841 0.353 . . . . 0.0 110.796 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -60.55 -28.33 68.35 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.547 -176.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -121.21 12.7 11.06 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.479 -179.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 92' ' ' ARG . . . . . 0.411 ' HB2' ' O ' ' B' ' 88' ' ' PHE . 53.9 ttt180 -66.64 -30.12 70.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.979 0.419 . . . . 0.0 111.094 -178.019 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -92.09 17.79 8.98 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.221 0.534 . . . . 0.0 111.013 -176.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 83.3 p -103.75 -178.87 3.79 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 176.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -66.48 -49.03 67.98 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.976 0.417 . . . . 0.0 110.884 -174.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -135.41 107.03 6.93 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.192 0.52 . . . . 0.0 109.825 177.192 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 97' ' ' VAL . . . . . 0.508 ' O ' HG13 ' B' ' 101' ' ' ILE . 2.9 p -65.32 -38.79 83.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.465 -0.789 . . . . 0.0 112.163 -175.055 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . 0.517 ' HB2' HH21 ' B' ' 111' ' ' ARG . 8.1 mt -69.82 -36.28 75.5 Favored 'General case' 0 N--CA 1.463 0.209 0 C-N-CA 120.501 -0.479 . . . . 0.0 111.26 -174.604 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 99' ' ' GLY . . . . . 0.696 ' O ' ' HD3' ' B' ' 103' ' ' LYS . . . -59.84 -44.46 97.04 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.625 -0.798 . . . . 0.0 111.416 175.753 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -68.77 -29.08 67.39 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 179.065 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 101' ' ' ILE . . . . . 0.602 ' O ' HG21 ' B' ' 105' ' ' ILE . 32.3 mt -60.41 -58.72 6.09 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.113 173.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 102' ' ' MET . . . . . 0.627 ' HE1' ' O ' ' B' ' 109' ' ' ARG . 61.3 mtt -57.69 -37.59 73.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.666 0.269 . . . . 0.0 111.535 -176.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 103' ' ' LYS . . . . . 0.696 ' HD3' ' O ' ' B' ' 99' ' ' GLY . 4.6 mptp? -69.51 -34.01 73.66 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.491 -177.812 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -99.11 -25.88 14.39 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 -174.14 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 105' ' ' ILE . . . . . 0.602 HG21 ' O ' ' B' ' 101' ' ' ILE . 11.0 tp -91.5 149.86 3.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.579 0.704 . . . . 0.0 111.246 -177.113 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 8.1 t -69.72 -37.57 76.58 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-N 114.719 -1.128 . . . . 0.0 111.468 -177.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . 0.419 ' O ' HG23 ' B' ' 105' ' ' ILE . . . -84.86 128.62 34.7 Favored 'General case' 0 CA--C 1.513 -0.476 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -81.3 102.1 10.19 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 108.166 -1.049 . . . . 0.0 108.166 176.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 109' ' ' ARG . . . . . 0.627 ' O ' ' HE1' ' B' ' 102' ' ' MET . 47.8 mtt180 -107.26 118.59 37.1 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.394 -176.393 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 110' ' ' SER . . . . . 0.667 ' H ' ' NH1' ' B' ' 113' ' ' ARG . 27.1 t -64.45 158.31 24.2 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.037 178.638 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 111' ' ' ARG . . . . . 0.517 HH21 ' HB2' ' B' ' 98' ' ' LEU . 39.8 mtp180 -71.84 -35.44 69.88 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.132 -0.486 . . . . 0.0 112.203 -166.104 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 112' ' ' ALA . . . . . 0.437 ' O ' ' HB2' ' B' ' 116' ' ' ASP . . . -62.64 -29.57 70.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.966 0.412 . . . . 0.0 110.432 176.521 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . 0.667 ' NH1' ' H ' ' B' ' 110' ' ' SER . 55.4 mtt180 -71.06 -41.53 70.61 Favored 'General case' 0 CA--C 1.515 -0.383 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 179.204 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 114' ' ' ILE . . . . . 0.506 HG23 HD23 ' B' ' 98' ' ' LEU . 71.8 mt -70.66 -58.16 6.03 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.687 0 CA-C-N 114.652 -1.158 . . . . 0.0 111.833 -176.641 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 115' ' ' VAL . . . . . 0.59 ' O ' HD23 ' B' ' 119' ' ' LEU . 16.8 m -62.36 -34.04 62.26 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.642 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.64 -170.432 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 116' ' ' ASP . . . . . 0.437 ' HB2' ' O ' ' B' ' 112' ' ' ALA . 0.1 OUTLIER -73.62 -32.7 64.2 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.509 178.25 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . 0.469 ' O ' HD13 ' B' ' 121' ' ' LEU . 11.7 tptm -79.29 -26.52 42.27 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 120.23 -0.588 . . . . 0.0 110.502 -177.022 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 10.2 mt -60.82 -49.09 78.89 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-O 120.913 0.387 . . . . 0.0 110.74 174.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 119' ' ' LEU . . . . . 0.59 HD23 ' O ' ' B' ' 115' ' ' VAL . 4.6 mm? -59.51 -31.57 69.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.501 178.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -73.01 -46.13 53.81 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.968 -178.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 121' ' ' LEU . . . . . 0.469 HD13 ' O ' ' B' ' 117' ' ' LYS . 10.8 mp -66.04 -24.71 66.79 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.119 176.096 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 80.74 31.31 36.55 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.662 -0.78 . . . . 0.0 111.321 -174.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . 0.496 ' HB3' ' CE1' ' B' ' 88' ' ' PHE . 51.3 mt -80.39 -24.02 40.0 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-O 121.766 0.793 . . . . 0.0 109.364 179.129 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 19.6 m -139.55 172.78 12.32 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-N 114.551 -1.204 . . . . 0.0 110.014 176.003 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -112.77 -17.94 12.42 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.312 178.004 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -149.27 168.25 23.84 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.642 178.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 127' ' ' ARG . . . . . 0.757 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 94.6 mtt180 -78.08 -20.93 51.31 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 121.103 -0.239 . . . . 0.0 111.25 178.543 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 128' ' ' ARG . . . . . . . . . . . . . 5.6 ttm180 -55.37 -39.52 70.19 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.813 0.339 . . . . 0.0 111.718 -178.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 129' ' ' GLU . . . . . 0.543 ' HG2' ' CA ' ' B' ' 141' ' ' SER . 30.6 mt-10 -62.07 -27.8 69.16 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.813 -175.344 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 130' ' ' LEU . . . . . 0.757 ' HG ' ' O ' ' B' ' 127' ' ' ARG . 0.1 OUTLIER -92.83 4.53 53.67 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.277 0.561 . . . . 0.0 110.959 -177.233 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 131' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -128.05 91.44 3.27 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 171.059 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 56.4 tttp -54.35 99.74 0.03 OUTLIER 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.527 0.68 . . . . 0.0 112.214 -167.09 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -83.27 153.2 24.79 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 114.96 -1.018 . . . . 0.0 108.493 176.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 134' ' ' ARG . . . . . 0.614 ' HD2' ' N ' ' B' ' 134' ' ' ARG . 5.9 mpt_? -87.17 79.95 8.45 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 -176.657 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -93.01 98.75 11.55 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 114.256 -1.338 . . . . 0.0 110.885 -173.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 27.0 mmmt -90.97 53.1 2.29 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.654 0.74 . . . . 0.0 109.347 179.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 57.8 tptt -148.81 147.84 29.23 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.569 -1.196 . . . . 0.0 108.552 -177.206 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 59.2 tp -74.47 79.37 1.92 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.464 0.649 . . . . 0.0 110.04 176.234 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . -125.86 148.68 49.1 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.372 175.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 16.8 m -99.38 84.22 2.96 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.907 0.384 . . . . 0.0 111.157 -179.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 141' ' ' SER . . . . . 0.543 ' CA ' ' HG2' ' B' ' 129' ' ' GLU . 70.6 m . . . . . 0 C--O 1.248 0.999 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 176.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 . . . . . 0 N--CA 1.481 1.113 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -67.51 -68.41 0.03 OUTLIER 'Trans proline' 0 CA--C 1.531 0.363 0 C-N-CA 122.656 2.237 . . . . 0.0 113.732 -177.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 8.9 p -96.19 -55.46 2.95 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.148 0.499 . . . . 0.0 111.684 -174.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -135.33 157.15 47.63 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.853 -178.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . 0.412 ' HD3' ' C ' ' B' ' 5' ' ' ARG . 3.4 tmt_? -68.27 123.45 20.78 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 170.323 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.75 133.52 90.45 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-O 121.388 0.613 . . . . 0.0 112.276 -174.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -73.09 169.73 21.53 Favored 'Trans proline' 0 N--CA 1.452 -0.927 0 C-N-CA 122.723 2.282 . . . . 0.0 111.865 172.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 1.9 p -81.32 115.4 20.67 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 172.389 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 25.6 m95 -52.69 125.95 18.33 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.945 -175.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 18.8 m -75.05 150.14 85.52 Favored Pre-proline 0 N--CA 1.446 -0.664 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 171.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_exo -50.72 -40.4 56.28 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.631 2.221 . . . . 0.0 112.65 -178.079 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -59.02 -39.99 83.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.294 179.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -71.71 -37.67 70.63 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.303 -176.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -74.86 -27.06 60.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.934 0.397 . . . . 0.0 110.516 177.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . 0.514 ' O ' ' HB2' ' B' ' 19' ' ' GLU . . . -68.5 -22.2 64.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.215 0.531 . . . . 0.0 109.691 172.807 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.489 ' HA ' ' CB ' ' B' ' 19' ' ' GLU . 17.8 t-160 -90.77 -28.28 18.35 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.355 176.134 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.409 ' CD2' ' HB2' ' B' ' 53' ' ' HIS . 32.2 tp -65.52 -46.28 80.23 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.489 174.433 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . 0.738 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 30.4 ptt180 -71.59 -30.94 66.39 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 175.593 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . 0.514 ' HB2' ' O ' ' B' ' 15' ' ' ALA . 10.2 tp10 -53.52 -50.51 65.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.236 -179.174 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.43 -26.17 59.9 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.923 -1.035 . . . . 0.0 110.899 -178.159 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' TYR . . . . . 0.417 ' HA ' HD13 ' B' ' 36' ' ' ILE . 82.9 t80 -71.81 -51.96 19.92 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-O 121.107 0.48 . . . . 0.0 110.038 178.314 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.738 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 27.6 mt -62.86 -18.93 63.62 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.972 -178.224 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.79 -38.54 32.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.093 178.304 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 49.4 m-80 -114.73 12.84 17.18 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -174.056 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.41 ' HD2' ' HA ' ' B' ' 22' ' ' LEU . 22.1 ptmt -68.73 -26.5 65.29 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -174.562 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -106.83 12.12 29.31 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.116 0.484 . . . . 0.0 110.66 -175.31 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 60.9 t -93.55 107.87 19.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.23 179.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -86.68 148.04 25.63 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.165 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 92.45 -3.93 76.05 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.703 -0.76 . . . . 0.0 111.516 -177.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . 0.433 ' HG2' ' N ' ' B' ' 31' ' ' ASP . 13.7 tt0 -130.77 147.82 52.47 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.875 0.369 . . . . 0.0 110.314 179.809 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . 0.433 ' N ' ' HG2' ' B' ' 30' ' ' GLN . 6.3 m-20 -76.29 109.29 9.86 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.655 170.701 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . 0.422 ' O ' HG13 ' B' ' 36' ' ' ILE . 7.8 p -58.94 -35.45 56.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 170.348 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . 0.673 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 3.8 t -53.51 -59.97 1.57 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.542 0 CA-C-N 114.191 -1.368 . . . . 0.0 110.524 178.334 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.521 ' HA ' ' CD1' ' B' ' 37' ' ' LEU . 38.9 tt0 -67.99 -34.66 76.97 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.795 -175.806 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.33 -42.16 73.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.664 0.745 . . . . 0.0 109.92 177.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.422 HG13 ' O ' ' B' ' 32' ' ' VAL . 76.9 mt -72.98 -61.99 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 114.878 -1.055 . . . . 0.0 111.252 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.673 ' HG ' ' O ' ' B' ' 33' ' ' VAL . 3.3 pp -63.36 -18.99 64.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.605 -0.725 . . . . 0.0 112.678 -172.128 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -81.72 -50.38 9.35 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.712 0.291 . . . . 0.0 111.521 179.002 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 49.5 m-70 -75.47 -29.35 59.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.824 0.345 . . . . 0.0 110.894 -173.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 1.4 mt -88.03 79.29 8.02 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.343 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -111.0 36.83 3.01 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 122.096 0.95 . . . . 0.0 109.025 172.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -82.31 -30.43 30.49 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 113.883 -1.508 . . . . 0.0 109.019 172.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -111.34 117.93 48.46 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 114.781 -1.1 . . . . 0.0 108.886 173.662 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -79.93 103.7 1.59 Allowed 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 122.161 1.907 . . . . 0.0 111.551 177.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.459 HH11 ' HB2' ' B' ' 45' ' ' ARG . 0.0 OUTLIER -152.05 178.04 9.86 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.473 -175.908 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 11.5 t -78.34 162.41 26.5 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 173.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . 0.444 ' CG ' HD21 ' B' ' 37' ' ' LEU . 0.6 OUTLIER -66.93 -29.88 69.87 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.869 0.366 . . . . 0.0 110.654 -178.191 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -49.05 -31.45 7.78 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.982 176.14 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.45 ' HG3' ' CB ' ' B' ' 45' ' ' ARG . 46.8 mm-40 -59.33 -52.85 63.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.557 178.344 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 2.8 mp -53.69 -52.83 30.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.905 -177.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 3.6 mp -63.04 -43.21 98.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.215 -175.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -61.33 -46.59 89.62 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.879 -177.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' HIS . . . . . 0.409 ' HB2' ' CD2' ' B' ' 17' ' ' LEU . 76.2 m-70 -65.58 -36.89 85.07 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.611 -0.436 . . . . 0.0 111.606 -177.47 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . 0.437 ' CD2' HD13 ' B' ' 59' ' ' LEU . 80.3 mt -64.33 -45.94 85.65 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.084 0.468 . . . . 0.0 110.939 -176.452 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . 0.448 HG12 ' C ' ' B' ' 62' ' ' SER . 12.3 m -78.52 -23.62 13.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.308 0.575 . . . . 0.0 110.429 -178.761 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -78.36 -24.7 46.3 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.54 -0.754 . . . . 0.0 111.286 178.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 70.9 mtm -84.43 -2.09 56.64 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.955 0.407 . . . . 0.0 110.733 176.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 75.18 3.13 68.71 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 121.061 -0.59 . . . . 0.0 112.843 176.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . 0.437 HD13 ' CD2' ' B' ' 54' ' ' LEU . 4.2 pp -85.94 -19.11 30.96 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.429 0.633 . . . . 0.0 110.008 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -116.3 170.4 8.56 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.518 173.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -83.25 -68.17 0.73 Allowed 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.726 -0.39 . . . . 0.0 111.695 -177.158 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' SER . . . . . 0.448 ' C ' HG12 ' B' ' 55' ' ' VAL . 31.7 m -158.0 165.63 34.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.718 -173.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 69.1 t -61.99 -27.02 41.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.049 175.24 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . 0.781 ' HA ' ' O ' ' B' ' 68' ' ' ARG . 46.9 mtmt -57.94 -31.71 67.11 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.88 -1.054 . . . . 0.0 112.002 -178.354 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -82.49 -26.32 32.68 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.11 0.481 . . . . 0.0 110.864 -177.069 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -92.18 -44.39 8.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.943 -176.352 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -116.56 -79.39 0.59 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.268 0.556 . . . . 0.0 112.333 -169.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 68' ' ' ARG . . . . . 0.781 ' O ' ' HA ' ' B' ' 64' ' ' LYS . 29.6 ttm180 -136.72 151.12 48.88 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.821 -171.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 63.9 pttt -72.0 -4.31 27.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.683 0.277 . . . . 0.0 111.21 -179.275 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -62.24 132.62 45.42 Favored Glycine 0 N--CA 1.448 -0.541 0 CA-C-N 116.027 -0.533 . . . . 0.0 112.16 178.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -85.24 132.45 34.27 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.124 0.488 . . . . 0.0 112.044 -178.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . 0.442 ' O ' ' HD2' ' B' ' 113' ' ' ARG . 26.4 p-80 -57.81 112.86 1.61 Allowed 'General case' 0 N--CA 1.445 -0.689 0 N-CA-C 107.813 -1.18 . . . . 0.0 107.813 167.747 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 1.6 mm -127.66 110.42 22.22 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.317 0 CA-C-O 122.474 1.13 . . . . 0.0 111.491 -178.105 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -55.18 134.36 18.6 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.027 0 CA-C-N 113.193 -1.821 . . . . 0.0 108.378 165.156 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 46.7 tp -52.36 89.94 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 -168.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 76' ' ' TRP . . . . . 0.538 ' CH2' HD22 ' B' ' 84' ' ' LEU . 96.3 m95 -89.66 109.1 20.1 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.977 0.418 . . . . 0.0 110.629 178.582 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 77' ' ' THR . . . . . 0.423 ' O ' ' HG3' ' B' ' 81' ' ' GLU . 42.8 p -111.43 167.34 10.39 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 108.72 -0.845 . . . . 0.0 108.72 173.364 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -53.95 -32.73 49.38 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.551 -0.833 . . . . 0.0 111.566 176.215 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -65.75 -55.31 17.96 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.47 -0.365 . . . . 0.0 110.616 176.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -66.39 -35.42 80.27 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.421 -177.133 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 81' ' ' GLU . . . . . 0.423 ' HG3' ' O ' ' B' ' 77' ' ' THR . 55.1 mt-10 -61.63 -39.63 91.98 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 176.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . 0.48 ' O ' ' HG3' ' B' ' 86' ' ' ARG . 30.7 tp -66.88 -43.52 83.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.499 176.569 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . 0.445 ' CD ' HH21 ' B' ' 86' ' ' ARG . 8.4 mm-40 -59.93 -41.58 92.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.717 179.529 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . 0.538 HD22 ' CH2' ' B' ' 76' ' ' TRP . 60.8 tp -63.05 -48.03 80.42 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 174.437 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . 0.434 ' O ' ' HG3' ' B' ' 89' ' ' GLU . 1.0 OUTLIER -54.07 -53.19 56.61 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.862 -179.102 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 86' ' ' ARG . . . . . 0.48 ' HG3' ' O ' ' B' ' 82' ' ' LEU . 40.2 mtm180 -61.05 -50.23 74.17 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.962 0.411 . . . . 0.0 111.451 -179.004 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 7.7 tp -66.81 -39.44 87.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.04 -173.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.623 ' CE2' ' HB3' ' B' ' 123' ' ' LEU . 1.0 OUTLIER -56.55 -41.45 76.85 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.726 179.518 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.434 ' HG3' ' O ' ' B' ' 85' ' ' GLN . 33.1 mt-10 -69.24 -41.16 77.36 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.079 0.466 . . . . 0.0 110.388 178.446 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -65.83 -33.74 76.54 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.357 -0.838 . . . . 0.0 112.062 -172.011 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -112.75 17.06 19.37 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.952 -0.299 . . . . 0.0 111.059 -179.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 92' ' ' ARG . . . . . 0.599 ' HB2' ' O ' ' B' ' 88' ' ' PHE . 18.9 ttt180 -73.78 -16.34 61.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.697 0.76 . . . . 0.0 109.664 177.192 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -71.66 -1.41 13.64 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.794 -1.093 . . . . 0.0 110.59 174.008 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 19.2 m -103.85 157.35 17.14 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.03 178.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -79.01 -5.87 54.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.422 -177.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -147.98 79.42 1.46 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.089 0.471 . . . . 0.0 109.743 173.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 97' ' ' VAL . . . . . 0.554 ' O ' HG13 ' B' ' 101' ' ' ILE . 2.6 p -64.12 -34.66 70.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.387 -175.473 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 7.3 mp -63.24 -33.25 75.09 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 121.052 -0.259 . . . . 0.0 111.362 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -69.0 -31.0 72.09 Favored Glycine 0 CA--C 1.509 -0.291 0 C-N-CA 120.707 -0.759 . . . . 0.0 111.571 176.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 35.2 m-70 -79.3 -30.17 42.79 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 177.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 101' ' ' ILE . . . . . 0.554 HG13 ' O ' ' B' ' 97' ' ' VAL . 71.8 mt -62.03 -61.19 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.393 174.565 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 102' ' ' MET . . . . . 0.568 ' HE1' ' O ' ' B' ' 109' ' ' ARG . 58.4 mtt -52.35 -43.54 64.69 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -175.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -74.71 -25.21 58.98 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.353 -0.385 . . . . 0.0 112.01 -176.243 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -104.02 -20.17 13.95 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -174.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 105' ' ' ILE . . . . . 0.451 HG13 ' N ' ' B' ' 106' ' ' THR . 11.2 tp -91.24 158.58 2.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.45 0.643 . . . . 0.0 111.381 -175.778 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 106' ' ' THR . . . . . 0.451 ' N ' HG13 ' B' ' 105' ' ' ILE . 7.4 t -77.87 -16.46 58.25 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.839 -175.197 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -111.73 128.73 56.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.643 0.259 . . . . 0.0 111.31 -177.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.31 102.46 14.01 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 176.013 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 109' ' ' ARG . . . . . 0.568 ' O ' ' HE1' ' B' ' 102' ' ' MET . 35.8 mtt180 -108.87 179.44 4.18 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.077 -176.108 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 4.3 m -99.32 152.2 20.2 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.266 179.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 10.1 mmt180 -58.48 -50.72 72.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.016 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -60.73 -30.5 70.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.187 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . 0.523 ' NE ' ' HA ' ' B' ' 113' ' ' ARG . 0.0 OUTLIER -74.25 -33.06 63.19 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.439 -178.862 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 78.4 mt -78.96 -44.35 24.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.232 179.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 115' ' ' VAL . . . . . . . . . . . . . 49.5 t -55.94 -54.02 31.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.889 176.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -58.04 -36.95 73.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.64 -178.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . 0.401 ' HE3' HD13 ' B' ' 121' ' ' LEU . 40.8 tptt -68.28 -39.71 82.03 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.045 -176.593 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 20.5 mt -60.81 -50.23 74.29 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 120.94 0.4 . . . . 0.0 110.349 177.318 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -58.54 -35.4 72.25 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.8 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -74.25 -42.37 59.78 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.245 -177.063 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 121' ' ' LEU . . . . . 0.401 HD13 ' HE3' ' B' ' 117' ' ' LYS . 8.8 mp -70.98 -25.72 62.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.131 0.491 . . . . 0.0 111.093 176.553 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 82.68 33.4 24.84 Favored Glycine 0 N--CA 1.442 -0.911 0 C-N-CA 120.508 -0.853 . . . . 0.0 111.088 -173.199 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . 0.623 ' HB3' ' CE2' ' B' ' 88' ' ' PHE . 55.0 mt -80.03 -27.75 39.43 Favored 'General case' 0 CA--C 1.511 -0.544 0 N-CA-C 108.204 -1.035 . . . . 0.0 108.204 177.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 124' ' ' VAL . . . . . 0.436 HG23 ' CD2' ' B' ' 130' ' ' LEU . 35.8 m -136.57 165.5 28.48 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 113.43 -1.714 . . . . 0.0 108.372 172.213 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -105.99 -14.75 15.09 Favored 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 176.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 126' ' ' GLU . . . . . 0.44 ' O ' HD21 ' B' ' 130' ' ' LEU . 17.3 pt-20 -156.83 172.48 18.57 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.904 -176.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 127' ' ' ARG . . . . . 0.795 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 93.3 mtt180 -80.07 -20.33 45.43 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -176.09 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 128' ' ' ARG . . . . . . . . . . . . . 29.8 mtt180 -47.7 -49.39 28.05 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 121.133 0.492 . . . . 0.0 110.971 179.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -68.83 -12.52 61.62 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.348 -0.842 . . . . 0.0 112.824 -170.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 130' ' ' LEU . . . . . 0.795 ' HG ' ' O ' ' B' ' 127' ' ' ARG . 0.0 OUTLIER -88.89 -6.47 57.29 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.456 -177.745 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 131' ' ' TYR . . . . . . . . . . . . . 4.6 p90 -150.09 42.43 0.85 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.515 0.674 . . . . 0.0 110.607 174.386 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 31.6 tttt -133.61 119.49 19.49 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.138 176.306 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . 0.591 ' O ' ' HD2' ' B' ' 134' ' ' ARG . 25.5 pttm -108.25 74.83 0.95 Allowed 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 118.486 -1.286 . . . . 0.0 111.29 172.812 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 134' ' ' ARG . . . . . 0.591 ' HD2' ' O ' ' B' ' 133' ' ' LYS . 4.7 mpt_? -136.89 76.6 1.6 Allowed 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 106.481 -1.674 . . . . 0.0 106.481 164.636 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 83.7 mm-40 -101.89 108.57 20.08 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 114.782 -1.099 . . . . 0.0 111.625 -172.122 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -132.32 -170.67 2.47 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.724 -1.125 . . . . 0.0 108.491 177.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 137' ' ' LYS . . . . . 0.441 ' HE3' ' CA ' ' B' ' 138' ' ' LEU . 0.0 OUTLIER -70.4 103.47 2.44 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.296 0.569 . . . . 0.0 111.202 -179.25 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 138' ' ' LEU . . . . . 0.441 ' CA ' ' HE3' ' B' ' 137' ' ' LYS . 3.1 mm? -136.16 167.69 20.79 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 165.016 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . -65.67 168.47 7.6 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 173.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 1.5 p -59.48 115.37 3.24 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.198 0.523 . . . . 0.0 111.394 -179.016 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 141' ' ' SER . . . . . . . . . . . . . 32.3 m . . . . . 0 C--O 1.253 1.257 0 CA-C-O 117.586 -1.197 . . . . 0.0 108.5 179.39 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 75.9 m95 . . . . . 0 N--CA 1.451 -0.391 0 CA-C-O 121.579 0.704 . . . . 0.0 111.307 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 10' ' ' SER . . . . . 0.515 ' H ' ' HB3' ' B' ' 13' ' ' GLU . 51.8 p -146.45 167.07 14.76 Favored Pre-proline 0 C--N 1.312 -1.029 0 N-CA-C 107.515 -1.291 . . . . 0.0 107.515 174.517 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -53.31 -32.77 62.79 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 121.749 1.633 . . . . 0.0 110.903 174.208 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 59.9 tt0 -73.6 -44.79 56.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.849 -1.069 . . . . 0.0 110.973 177.155 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.515 ' HB3' ' H ' ' B' ' 10' ' ' SER . 7.5 tp10 -66.13 -39.44 89.88 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.62 0.248 . . . . 0.0 111.119 -177.33 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -76.72 -21.91 54.61 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.443 -0.503 . . . . 0.0 110.443 178.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.43 -24.39 61.21 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.662 0.744 . . . . 0.0 109.366 169.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.53 ' O ' ' HB3' ' B' ' 19' ' ' GLU . 12.6 t-160 -82.88 -23.59 33.57 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.659 -1.155 . . . . 0.0 109.467 174.557 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.524 HD11 HG13 ' B' ' 50' ' ' ILE . 38.1 tp -73.69 -46.94 43.27 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 176.126 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 18' ' ' ARG . . . . . 0.816 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 9.4 ptm180 -67.1 -33.49 75.58 Favored 'General case' 0 N--CA 1.443 -0.785 0 N-CA-C 108.585 -0.895 . . . . 0.0 108.585 173.572 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 19' ' ' GLU . . . . . 0.53 ' HB3' ' O ' ' B' ' 16' ' ' HIS . 13.1 tp10 -49.87 -56.68 9.55 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.261 0.553 . . . . 0.0 110.481 177.268 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.96 -33.93 76.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.599 -179.221 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 21' ' ' TYR . . . . . 0.42 ' CD1' HD22 ' B' ' 54' ' ' LEU . 5.6 t80 -68.23 -49.23 62.11 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 -178.303 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.816 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 29.3 mt -63.9 -31.41 72.58 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.722 -179.328 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.64 -34.81 53.11 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.766 -178.45 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 22.7 m-80 -107.67 8.16 28.89 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -174.435 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 14.9 ptmm? -86.26 -13.2 47.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.38 0.609 . . . . 0.0 109.642 171.466 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -73.34 -32.87 64.81 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.657 -176.432 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 4.9 p -75.48 140.58 17.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.65 -0.704 . . . . 0.0 109.451 175.774 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -106.73 139.36 41.28 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.979 0.419 . . . . 0.0 111.622 -171.401 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.86 21.36 79.34 Favored Glycine 0 N--CA 1.451 -0.326 0 CA-C-N 115.78 -0.645 . . . . 0.0 112.903 176.597 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' GLN . . . . . 0.478 ' HG2' ' N ' ' B' ' 31' ' ' ASP . 0.0 OUTLIER -110.16 163.2 13.84 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 120.536 0.207 . . . . 0.0 110.496 -179.08 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 31' ' ' ASP . . . . . 0.478 ' N ' ' HG2' ' B' ' 30' ' ' GLN . 9.6 m-20 -80.36 94.96 6.24 Favored 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 173.739 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 32' ' ' VAL . . . . . 0.434 ' O ' HG13 ' B' ' 36' ' ' ILE . 9.9 p -68.28 -30.73 48.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.406 -176.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 33' ' ' VAL . . . . . 0.407 HG23 ' H ' ' B' ' 33' ' ' VAL . 1.1 t -62.81 -53.6 44.72 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.294 -178.361 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.413 ' HA ' ' HB2' ' B' ' 37' ' ' LEU . 39.7 mt-10 -63.36 -34.67 78.23 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.52 179.729 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.7 -49.61 72.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.642 0.734 . . . . 0.0 109.564 176.694 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.528 HD13 HD11 ' B' ' 54' ' ' LEU . 40.5 mt -67.15 -63.05 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.919 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.992 177.057 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.741 HD23 HD13 ' B' ' 50' ' ' ILE . 11.1 mt -41.4 -44.62 2.87 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.002 0.921 . . . . 0.0 113.097 -177.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -86.89 -22.9 25.43 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 -169.262 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 57.6 m80 -91.72 -30.05 16.49 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 119.673 -0.811 . . . . 0.0 112.997 -174.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.693 ' HG ' ' O ' ' B' ' 40' ' ' LEU . 2.1 pt? -95.57 81.85 3.58 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 118.834 -1.147 . . . . 0.0 110.521 177.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -84.13 38.83 0.68 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.707 0.765 . . . . 0.0 109.951 -178.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' THR . . . . . 0.44 HG21 ' CD ' ' B' ' 13' ' ' GLU . 7.3 t -91.73 -28.54 17.35 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.814 -1.085 . . . . 0.0 110.274 -177.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 43' ' ' VAL . . . . . 0.421 HG12 HG23 ' B' ' 42' ' ' THR . 4.4 p -136.18 128.61 17.54 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.656 -175.365 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -78.24 97.75 1.16 Allowed 'Trans proline' 0 N--CA 1.46 -0.465 0 C-N-CA 122.763 2.309 . . . . 0.0 111.815 176.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 45' ' ' ARG . . . . . 0.425 HH11 ' HD2' ' B' ' 45' ' ' ARG . 0.0 OUTLIER -145.76 145.88 31.0 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.079 -177.502 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 11.0 t -69.55 174.38 5.04 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 115.665 -0.698 . . . . 0.0 112.544 -173.786 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 47' ' ' ARG . . . . . 0.574 ' HA ' HD21 ' B' ' 37' ' ' LEU . 1.0 OUTLIER -56.76 -38.83 73.0 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.156 -0.929 . . . . 0.0 111.024 179.364 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.473 ' O ' ' HB2' ' B' ' 52' ' ' HIS . 8.2 tttt -60.45 -25.64 66.15 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.559 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -75.32 -38.28 60.34 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.219 0.452 . . . . 0.0 112.219 -172.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.741 HD13 HD23 ' B' ' 37' ' ' LEU . 1.5 mp -63.8 -49.21 82.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 174.659 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.566 HG12 ' CD2' ' B' ' 66' ' ' PHE . 59.4 mt -58.81 -48.2 86.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.217 0.532 . . . . 0.0 110.219 179.227 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 52' ' ' HIS . . . . . 0.473 ' HB2' ' O ' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -52.49 -61.24 2.4 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.936 -1.029 . . . . 0.0 112.134 -176.795 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 53' ' ' HIS . . . . . 0.524 ' HB2' ' CD2' ' B' ' 17' ' ' LEU . 9.8 m-70 -69.08 -24.64 64.17 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.709 0.29 . . . . 0.0 111.602 -171.131 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 54' ' ' LEU . . . . . 0.528 HD11 HD13 ' B' ' 36' ' ' ILE . 78.5 mt -76.99 -47.0 21.97 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.778 0.323 . . . . 0.0 111.187 -177.359 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 23.9 m -74.89 -20.75 16.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 C-N-CA 120.236 -0.586 . . . . 0.0 110.019 177.65 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -79.27 -30.13 42.9 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.752 176.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.524 ' HB2' ' CD2' ' B' ' 59' ' ' LEU . 72.3 mtm -83.53 2.35 37.45 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.652 177.58 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 68.75 21.45 74.93 Favored Glycine 0 N--CA 1.45 -0.425 0 CA-C-N 115.888 -0.596 . . . . 0.0 113.321 173.672 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.524 ' CD2' ' HB2' ' B' ' 57' ' ' MET . 1.9 pt? -106.11 -8.5 17.42 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 176.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -118.47 165.75 13.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.383 173.457 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -83.46 -67.38 0.79 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.989 0.423 . . . . 0.0 112.034 -175.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 47.5 m -157.82 166.52 32.48 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.001 -172.212 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 55.7 t -61.53 -34.91 63.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.669 0.747 . . . . 0.0 110.19 174.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 5.8 mtmp? -54.86 -49.17 71.79 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.69 -1.141 . . . . 0.0 111.252 -179.389 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -64.71 -19.72 65.92 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.971 -1.013 . . . . 0.0 111.682 -172.479 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 66' ' ' PHE . . . . . 0.566 ' CD2' HG12 ' B' ' 51' ' ' ILE . 3.2 m-85 . . . . . 0 C--N 1.32 -0.677 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 -168.709 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.444 -0.737 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -48.01 97.97 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.143 0.902 . . . . 0.0 111.698 -176.009 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 76' ' ' TRP . . . . . 0.451 ' NE1' ' HG3' ' B' ' 117' ' ' LYS . 48.1 m95 -86.39 110.19 19.54 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.955 -175.412 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 77' ' ' THR . . . . . 0.406 ' O ' ' HG3' ' B' ' 81' ' ' GLU . 74.0 p -106.99 167.98 9.52 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.67 176.567 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -55.15 -44.52 83.81 Favored Glycine 0 N--CA 1.454 -0.158 0 C-N-CA 121.211 -0.519 . . . . 0.0 113.016 -177.196 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -66.42 -40.06 89.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.854 0.359 . . . . 0.0 110.908 179.327 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -68.27 -39.72 82.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.585 -177.212 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 81' ' ' GLU . . . . . 0.406 ' HG3' ' O ' ' B' ' 77' ' ' THR . 59.8 mt-10 -61.47 -34.06 74.82 Favored 'General case' 0 CA--C 1.518 -0.27 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 175.812 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 20.3 tp -66.2 -35.34 80.19 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.933 -178.584 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -54.37 -57.4 11.42 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 122.011 0.91 . . . . 0.0 108.683 176.249 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 84' ' ' LEU . . . . . 0.4 HD11 HG23 ' B' ' 114' ' ' ILE . 25.5 tp -63.66 -44.33 94.11 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 114.026 -1.443 . . . . 0.0 110.871 -177.273 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -57.97 -55.05 39.92 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.049 -177.78 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -66.22 -52.89 43.44 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 111.741 0.274 . . . . 0.0 111.741 -176.26 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 6.9 mp -58.33 -41.11 83.88 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 111.628 0.232 . . . . 0.0 111.628 -176.813 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.702 ' CE1' ' HB3' ' B' ' 123' ' ' LEU . 24.9 t80 -54.01 -49.05 69.75 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.665 178.706 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -80.28 -16.46 54.62 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 120.667 -0.413 . . . . 0.0 111.246 -175.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -87.02 -25.34 24.29 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.227 -178.482 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 91' ' ' PHE . . . . . 0.426 ' O ' ' HB ' ' B' ' 97' ' ' VAL . 86.3 m-85 -119.81 19.76 12.39 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.979 0.418 . . . . 0.0 110.451 177.485 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 92' ' ' ARG . . . . . 0.476 ' HB2' ' O ' ' B' ' 88' ' ' PHE . 53.6 ttt180 -69.7 -30.64 68.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.328 0.585 . . . . 0.0 109.826 -179.702 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -86.75 37.33 0.75 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.491 177.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 50.5 m -119.88 178.53 4.56 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.18 178.302 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -77.91 -16.62 58.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.577 -177.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -168.24 99.15 0.43 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 175.408 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 97' ' ' VAL . . . . . 0.537 ' O ' HG13 ' B' ' 101' ' ' ILE . 2.2 p -68.75 -36.88 76.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.556 -175.205 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 98' ' ' LEU . . . . . 0.453 HD12 HG13 ' B' ' 97' ' ' VAL . 8.1 mp -65.73 -34.07 77.34 Favored 'General case' 0 CA--C 1.518 -0.285 0 C-N-CA 120.903 -0.319 . . . . 0.0 111.464 -179.084 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 99' ' ' GLY . . . . . 0.653 ' O ' ' HG2' ' B' ' 103' ' ' LYS . . . -54.87 -41.7 77.06 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.676 -0.773 . . . . 0.0 111.328 172.378 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -74.48 -36.52 63.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.677 0.275 . . . . 0.0 110.53 178.379 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 101' ' ' ILE . . . . . 0.864 ' O ' ' HB ' ' B' ' 105' ' ' ILE . 71.3 mt -56.03 -37.22 47.7 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.454 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.485 -178.614 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 102' ' ' MET . . . . . 0.547 ' HE2' ' O ' ' B' ' 109' ' ' ARG . 49.6 mtt -82.57 -33.41 28.1 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 179.521 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 103' ' ' LYS . . . . . 0.653 ' HG2' ' O ' ' B' ' 99' ' ' GLY . 73.4 mmtt -75.87 -37.14 59.19 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.807 0.337 . . . . 0.0 111.381 -175.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -102.98 18.88 20.6 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.165 -172.54 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 105' ' ' ILE . . . . . 0.864 ' HB ' ' O ' ' B' ' 101' ' ' ILE . 9.5 tp -104.56 166.92 2.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.925 0.869 . . . . 0.0 112.782 -171.06 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 106' ' ' THR . . . . . 0.534 ' N ' HG13 ' B' ' 105' ' ' ILE . 3.0 m -87.09 -44.52 11.48 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-N 114.068 -1.424 . . . . 0.0 110.925 170.481 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 107' ' ' ALA . . . . . 0.523 ' H ' HG13 ' B' ' 105' ' ' ILE . . . -99.74 129.1 45.83 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -175.078 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 108' ' ' LYS . . . . . 0.404 ' HA ' ' HE2' ' B' ' 108' ' ' LYS . 7.9 mmpt? -82.66 103.12 11.94 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.03 177.305 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 109' ' ' ARG . . . . . 0.547 ' O ' ' HE2' ' B' ' 102' ' ' MET . 43.6 mtm-85 -115.86 177.69 4.58 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.996 -177.667 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 47.7 t -99.59 159.47 15.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.897 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 44.7 mmm-85 -60.87 -50.65 72.57 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.349 178.692 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 112' ' ' ALA . . . . . 0.417 ' HA ' HG22 ' B' ' 115' ' ' VAL . . . -60.78 -33.97 73.77 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 121.351 0.596 . . . . 0.0 110.968 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 113' ' ' ARG . . . . . 0.566 ' HA ' ' CZ ' ' B' ' 113' ' ' ARG . 1.2 tpp180 -70.44 -36.73 74.13 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.713 -179.463 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 114' ' ' ILE . . . . . 0.4 HG23 HD11 ' B' ' 84' ' ' LEU . 94.6 mt -75.63 -45.8 38.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.509 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 115' ' ' VAL . . . . . 0.581 ' O ' HD23 ' B' ' 119' ' ' LEU . 25.6 m -63.31 -37.55 79.78 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.132 0 CA-C-O 120.6 0.238 . . . . 0.0 111.321 -176.754 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -62.92 -40.75 98.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.332 0.587 . . . . 0.0 110.573 176.436 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 117' ' ' LYS . . . . . 0.515 ' O ' HD13 ' B' ' 121' ' ' LEU . 2.4 mmtm -72.98 -29.26 62.92 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.76 -177.29 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 118' ' ' LEU . . . . . 0.443 HD22 HD12 ' B' ' 123' ' ' LEU . 16.5 mt -60.86 -49.16 78.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.065 0.459 . . . . 0.0 110.301 174.052 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 119' ' ' LEU . . . . . 0.581 HD23 ' O ' ' B' ' 115' ' ' VAL . 4.6 mm? -60.17 -35.49 75.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.684 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -70.3 -39.71 74.69 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.265 -178.341 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 121' ' ' LEU . . . . . 0.515 HD13 ' O ' ' B' ' 117' ' ' LYS . 10.6 mp -72.56 -25.52 61.39 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 121.072 0.463 . . . . 0.0 110.906 175.419 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 83.87 31.17 27.13 Favored Glycine 0 N--CA 1.443 -0.853 0 N-CA-C 111.285 -0.726 . . . . 0.0 111.285 -174.125 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 123' ' ' LEU . . . . . 0.702 ' HB3' ' CE1' ' B' ' 88' ' ' PHE . 69.3 mt -78.57 -27.55 45.74 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-O 121.513 0.673 . . . . 0.0 109.237 179.604 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 124' ' ' VAL . . . . . 0.47 HG11 ' CD2' ' B' ' 130' ' ' LEU . 20.1 m -140.69 176.51 4.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 114.723 -1.126 . . . . 0.0 110.042 175.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -113.82 -9.38 13.11 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.72 177.221 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -164.94 174.6 10.34 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.05 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 127' ' ' ARG . . . . . 0.704 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 0.6 OUTLIER -79.24 -22.31 44.97 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 -177.097 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 128' ' ' ARG . . . . . . . . . . . . . 3.7 ptp180 -71.29 -26.19 62.76 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.202 -0.599 . . . . 0.0 111.665 -174.68 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -66.07 -26.62 67.57 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 120.903 0.382 . . . . 0.0 110.971 -177.222 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 130' ' ' LEU . . . . . 0.704 ' HG ' ' O ' ' B' ' 127' ' ' ARG . 0.1 OUTLIER -94.51 1.6 55.7 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.725 -178.412 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 131' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 . . . . . 0 C--N 1.326 -0.419 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.035 178.15 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 9' ' ' TRP . . . . . 0.476 ' CZ2' ' HD3' ' B' ' 45' ' ' ARG . 14.9 m95 . . . . . 0 N--CA 1.452 -0.356 0 CA-C-O 121.165 0.507 . . . . 0.0 111.317 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 15.0 m -79.67 149.19 70.82 Favored Pre-proline 0 C--N 1.32 -0.714 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 170.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo -47.38 -44.8 24.09 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.979 2.453 . . . . 0.0 113.003 -177.499 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -68.01 -26.02 65.68 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.509 -178.393 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -79.25 -34.51 42.59 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.991 -0.284 . . . . 0.0 110.422 -176.622 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -75.37 -28.61 59.59 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.998 0.428 . . . . 0.0 110.513 175.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.84 -37.4 81.84 Favored 'General case' 0 C--O 1.221 -0.417 0 CA-C-O 121.375 0.607 . . . . 0.0 109.384 171.1 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.508 ' O ' ' HB3' ' B' ' 19' ' ' GLU . 18.3 t-160 -70.39 -27.31 64.21 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.056 -0.975 . . . . 0.0 110.173 175.486 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.468 HD21 ' HB2' ' B' ' 53' ' ' HIS . 46.9 tp -65.58 -48.91 70.74 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.799 177.258 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 18' ' ' ARG . . . . . 0.728 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 17.4 ptt180 -73.47 -29.96 62.86 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 175.478 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 19' ' ' GLU . . . . . 0.508 ' HB3' ' O ' ' B' ' 16' ' ' HIS . 16.4 tp10 -49.19 -49.61 41.91 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.672 0.749 . . . . 0.0 110.096 175.779 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.508 ' HB3' HG12 ' B' ' 36' ' ' ILE . 0.4 OUTLIER -70.47 -37.41 74.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.105 -0.952 . . . . 0.0 111.351 -179.652 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 21' ' ' TYR . . . . . 0.458 ' O ' ' HB3' ' B' ' 25' ' ' LYS . 86.0 t80 -69.54 -47.6 63.15 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-O 120.855 0.359 . . . . 0.0 110.596 -176.548 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.728 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 62.1 mt -60.3 -31.23 70.07 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.526 -178.095 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.5 -41.96 30.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.492 -178.125 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -107.18 19.32 20.54 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 112.378 0.511 . . . . 0.0 112.378 -171.1 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.458 ' HB3' ' O ' ' B' ' 21' ' ' TYR . 22.1 pttm -82.73 -13.38 56.43 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.857 0.36 . . . . 0.0 111.496 -177.051 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -103.03 14.43 31.93 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.149 0.499 . . . . 0.0 111.108 -172.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 37.6 t -110.93 108.44 25.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.139 179.131 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -91.17 155.46 18.59 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.397 178.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.75 7.32 86.06 Favored Glycine 0 N--CA 1.451 -0.336 0 N-CA-C 110.657 -0.977 . . . . 0.0 110.657 -174.626 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.21 152.89 47.53 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 114.683 -0.758 . . . . 0.0 109.589 -178.03 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -82.23 102.62 11.26 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 172.768 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' VAL . . . . . 0.459 ' O ' HG13 ' B' ' 36' ' ' ILE . 9.9 p -57.01 -35.38 47.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.227 0.537 . . . . 0.0 109.846 178.684 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 33' ' ' VAL . . . . . 0.75 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 0.9 OUTLIER -64.31 -50.24 77.37 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.615 0 CA-C-N 115.298 -0.865 . . . . 0.0 109.546 -179.356 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.661 ' HA ' HD11 ' B' ' 37' ' ' LEU . 6.3 tm-20 -65.81 -31.76 72.9 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 114.671 -1.15 . . . . 0.0 110.204 -174.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.51 -47.81 82.89 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.608 0.718 . . . . 0.0 109.96 173.563 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.511 ' O ' ' HG ' ' B' ' 40' ' ' LEU . 47.1 mt -67.08 -64.44 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.98 -179.148 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.75 ' HG ' ' O ' ' B' ' 33' ' ' VAL . 2.1 pp -66.34 -19.89 65.93 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 -167.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 38' ' ' ALA . . . . . 0.479 ' N ' HD12 ' B' ' 37' ' ' LEU . . . -88.53 -33.89 17.59 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 120.941 -0.304 . . . . 0.0 111.464 -179.691 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 32.9 m80 -76.37 -29.85 57.33 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.024 -177.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' B' ' 36' ' ' ILE . 0.8 OUTLIER -107.11 80.58 1.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.663 0.744 . . . . 0.0 111.449 175.901 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 24.8 p-10 -88.9 38.15 0.87 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.977 0.894 . . . . 0.0 109.444 176.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -80.09 -25.2 40.12 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.342 -1.299 . . . . 0.0 109.684 177.629 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -127.09 123.71 23.58 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 115.219 -0.901 . . . . 0.0 109.778 178.603 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -79.25 101.29 1.41 Allowed 'Trans proline' 0 C--O 1.226 -0.107 0 C-N-CA 122.802 2.334 . . . . 0.0 111.349 175.501 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 45' ' ' ARG . . . . . 0.595 ' HB3' ' HG3' ' B' ' 49' ' ' GLN . 0.0 OUTLIER -137.27 176.05 9.05 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.572 0.701 . . . . 0.0 111.81 -174.124 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 6.5 t -84.3 170.32 13.78 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 114.76 -1.109 . . . . 0.0 109.236 170.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 47' ' ' ARG . . . . . 0.494 ' NH1' HD13 ' B' ' 37' ' ' LEU . 24.9 mmt180 -72.41 -27.59 62.44 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 -179.216 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.04 -33.68 67.45 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 114.922 -1.035 . . . . 0.0 111.756 178.86 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.595 ' HG3' ' HB3' ' B' ' 45' ' ' ARG . 28.9 mm-40 -62.95 -49.2 75.69 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-O 121.432 0.634 . . . . 0.0 110.01 -177.596 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.614 HG13 ' HB3' ' B' ' 37' ' ' LEU . 7.8 mm -60.49 -55.09 26.7 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.899 0 CA-C-N 114.398 -1.274 . . . . 0.0 110.856 -172.653 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 64.1 mt -56.48 -48.36 80.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 114.752 -1.113 . . . . 0.0 110.578 -178.434 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -64.86 -51.29 62.86 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 115.059 -0.973 . . . . 0.0 111.99 -173.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 53' ' ' HIS . . . . . 0.468 ' HB2' HD21 ' B' ' 17' ' ' LEU . 7.7 m-70 -61.25 -24.55 66.46 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 120.811 0.338 . . . . 0.0 111.391 -176.033 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 54' ' ' LEU . . . . . 0.494 HD22 HD11 ' B' ' 59' ' ' LEU . 35.7 mt -83.78 -50.28 8.27 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.988 -177.606 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 19.6 m -69.6 -32.88 54.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 120.956 0.408 . . . . 0.0 110.412 179.517 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -70.63 -26.54 63.52 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.745 177.012 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 6.6 ttp -78.96 0.24 28.33 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.297 0.57 . . . . 0.0 110.71 179.668 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 73.4 13.49 79.88 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.916 -0.659 . . . . 0.0 113.045 173.563 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.494 HD11 HD22 ' B' ' 54' ' ' LEU . 4.4 pp -97.26 -21.36 17.31 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.236 0.541 . . . . 0.0 109.735 175.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -121.95 168.43 11.92 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.234 176.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -80.31 -67.75 0.74 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.263 -0.426 . . . . 0.0 112.088 -175.105 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 61.6 m -164.81 178.41 7.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.725 -170.516 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 54.3 t -57.81 -28.85 33.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 121.698 0.761 . . . . 0.0 109.385 171.249 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 31.2 mtmm -61.81 -19.18 62.26 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 114.738 -1.119 . . . . 0.0 111.289 176.03 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -90.02 -20.91 22.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.949 0.404 . . . . 0.0 110.876 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 66' ' ' PHE . . . . . 0.404 ' HD1' HG22 ' B' ' 33' ' ' VAL . 15.9 m-85 . . . . . 0 C--N 1.329 -0.299 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 -173.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 74' ' ' VAL . . . . . 0.461 ' CG2' ' HD3' ' B' ' 113' ' ' ARG . 44.4 t . . . . . 0 N--CA 1.44 -0.934 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.17 80.29 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 121.547 0.689 . . . . 0.0 111.384 -179.254 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 76' ' ' TRP . . . . . 0.41 ' N ' ' O ' ' B' ' 74' ' ' VAL . 85.6 m95 -85.03 109.15 18.0 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.937 -175.833 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 17.9 p -104.85 172.34 6.84 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.262 173.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -53.73 -36.63 55.3 Favored Glycine 0 CA--C 1.518 0.223 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.456 -179.278 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 79' ' ' ASP . . . . . 0.609 ' O ' ' HG3' ' B' ' 83' ' ' GLU . 6.9 p-10 -72.66 -40.91 65.95 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.875 -0.163 . . . . 0.0 111.305 178.129 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -65.73 -39.4 91.1 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 120.926 0.393 . . . . 0.0 110.525 -178.388 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -64.64 -34.88 79.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.805 176.237 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -68.13 -41.8 81.13 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.609 179.374 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 83' ' ' GLU . . . . . 0.609 ' HG3' ' O ' ' B' ' 79' ' ' ASP . 67.2 mt-10 -53.47 -59.31 4.74 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-O 121.771 0.796 . . . . 0.0 110.666 179.114 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 84' ' ' LEU . . . . . 0.423 HD21 HG23 ' B' ' 114' ' ' ILE . 0.6 OUTLIER -72.04 -32.69 67.35 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 114.712 -1.131 . . . . 0.0 111.144 -171.758 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 85' ' ' GLN . . . . . 0.457 ' O ' ' HG3' ' B' ' 89' ' ' GLU . 1.4 tm0? -57.12 -49.81 74.76 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.771 0.319 . . . . 0.0 110.461 178.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 78.3 mtm180 -66.91 -47.69 70.97 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.246 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 5.7 tp -62.5 -39.24 92.86 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.289 -174.229 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.476 ' O ' ' HB2' ' B' ' 92' ' ' ARG . 2.8 t80 -58.8 -44.93 90.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.065 178.729 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 89' ' ' GLU . . . . . 0.457 ' HG3' ' O ' ' B' ' 85' ' ' GLN . 35.7 mt-10 -68.12 -31.04 70.35 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.253 0.549 . . . . 0.0 110.52 179.117 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -70.87 -35.2 72.26 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.302 -174.62 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -112.56 15.06 20.22 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.729 0.3 . . . . 0.0 111.05 -178.382 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 92' ' ' ARG . . . . . 0.476 ' HB2' ' O ' ' B' ' 88' ' ' PHE . 70.0 ttt180 -68.09 -31.75 71.59 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.524 -175.852 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -92.85 24.73 3.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.32 0.581 . . . . 0.0 110.618 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 9.6 t -103.28 -176.43 3.08 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 177.621 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -82.53 -20.64 36.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.947 0.403 . . . . 0.0 110.385 -178.272 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -152.76 108.66 3.34 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.669 173.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 97' ' ' VAL . . . . . 0.523 ' O ' HG13 ' B' ' 101' ' ' ILE . 2.5 p -75.69 -42.5 41.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.855 -0.612 . . . . 0.0 111.657 -176.177 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 98' ' ' LEU . . . . . 0.473 HD12 HG13 ' B' ' 97' ' ' VAL . 8.7 mp -76.57 -31.15 57.36 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -172.679 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -63.7 -32.29 83.65 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.485 -0.864 . . . . 0.0 111.515 174.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -82.63 -29.99 29.71 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 101' ' ' ILE . . . . . 0.523 HG13 ' O ' ' B' ' 97' ' ' VAL . 51.6 mt -59.39 -55.19 25.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.055 174.091 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 102' ' ' MET . . . . . 0.432 ' O ' ' HE2' ' B' ' 108' ' ' LYS . 38.7 mtt -55.22 -44.09 75.09 Favored 'General case' 0 C--N 1.331 -0.228 0 O-C-N 123.354 0.409 . . . . 0.0 112.077 -177.695 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -72.35 -24.13 61.24 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -177.362 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -112.46 18.61 18.31 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.05 0.453 . . . . 0.0 111.426 -175.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 105' ' ' ILE . . . . . 0.453 HG13 ' N ' ' B' ' 106' ' ' THR . 11.2 tp -118.72 162.2 17.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.289 0.566 . . . . 0.0 111.135 -179.264 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 106' ' ' THR . . . . . 0.453 ' N ' HG13 ' B' ' 105' ' ' ILE . 9.3 t -81.71 -35.78 29.41 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.493 -176.687 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 107' ' ' ALA . . . . . 0.486 ' HB3' ' NH1' ' B' ' 109' ' ' ARG . . . -110.61 128.33 55.63 Favored 'General case' 0 CA--C 1.514 -0.442 0 C-N-CA 121.202 -0.199 . . . . 0.0 110.493 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 108' ' ' LYS . . . . . 0.432 ' HE2' ' O ' ' B' ' 102' ' ' MET . 1.0 OUTLIER -83.19 101.78 11.44 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 175.33 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 109' ' ' ARG . . . . . 0.486 ' NH1' ' HB3' ' B' ' 107' ' ' ALA . 8.4 ptt-85 -118.46 144.02 46.29 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.14 -178.408 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 110' ' ' SER . . . . . 0.452 ' O ' HG13 ' B' ' 114' ' ' ILE . 34.2 t -64.62 148.43 50.92 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.221 -171.227 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -66.86 -38.55 86.56 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.398 -176.039 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -60.83 -29.62 69.6 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.46 0.648 . . . . 0.0 109.862 176.79 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 113' ' ' ARG . . . . . 0.461 ' HD3' ' CG2' ' B' ' 74' ' ' VAL . 33.5 mtt180 -77.39 -42.48 36.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.209 176.129 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 114' ' ' ILE . . . . . 0.452 HG13 ' O ' ' B' ' 110' ' ' SER . 92.3 mt -60.77 -55.04 27.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.487 -0.778 . . . . 0.0 111.124 -178.713 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 115' ' ' VAL . . . . . 0.63 ' O ' HD23 ' B' ' 119' ' ' LEU . 20.0 m -62.36 -35.1 67.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.641 -177.372 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -66.13 -35.11 79.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.263 0.554 . . . . 0.0 110.428 177.677 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.27 -39.62 78.29 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.361 177.183 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 118' ' ' LEU . . . . . 0.414 HD21 ' CD1' ' B' ' 88' ' ' PHE . 5.4 mp -54.21 -45.91 72.34 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 121.239 0.543 . . . . 0.0 110.785 175.628 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 119' ' ' LEU . . . . . 0.63 HD23 ' O ' ' B' ' 115' ' ' VAL . 4.1 mm? -64.24 -28.61 69.85 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.012 -0.994 . . . . 0.0 111.102 -179.776 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -84.29 -33.05 24.06 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.69 -177.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 96.0 mt -74.74 -24.75 58.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.268 176.493 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 82.39 34.0 24.14 Favored Glycine 0 N--CA 1.441 -0.987 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.464 -176.001 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 123' ' ' LEU . . . . . 0.408 HD12 ' HG ' ' B' ' 118' ' ' LEU . 87.0 mt -80.09 -28.17 39.13 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-O 121.548 0.69 . . . . 0.0 109.241 178.474 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 124' ' ' VAL . . . . . 0.525 HG21 ' CD2' ' B' ' 130' ' ' LEU . 19.2 m -145.96 174.14 2.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 114.516 -1.22 . . . . 0.0 109.215 178.3 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -110.05 -8.07 14.86 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 121.13 0.49 . . . . 0.0 110.406 177.692 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 126' ' ' GLU . . . . . 0.551 ' CD ' ' HB3' ' B' ' 128' ' ' ARG . 17.2 pt-20 -162.73 172.56 15.08 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.153 -178.743 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 127' ' ' ARG . . . . . 0.742 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 12.0 mpt_? -76.08 -22.33 55.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.748 0.309 . . . . 0.0 111.229 178.641 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 128' ' ' ARG . . . . . 0.551 ' HB3' ' CD ' ' B' ' 126' ' ' GLU . 26.7 ttt-85 -59.51 -33.95 72.0 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -179.304 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -71.91 -9.29 58.14 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -175.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 130' ' ' LEU . . . . . 0.742 ' HG ' ' O ' ' B' ' 127' ' ' ARG . 0.1 OUTLIER -111.42 8.08 21.08 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.063 0.459 . . . . 0.0 110.948 179.022 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 131' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 . . . . . 0 C--N 1.326 -0.437 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 172.881 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 9' ' ' TRP . . . . . 0.497 ' CH2' HD13 ' B' ' 17' ' ' LEU . 52.4 m95 . . . . . 0 CA--C 1.519 -0.242 0 CA-C-O 121.156 0.503 . . . . 0.0 111.874 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' SER . . . . . 0.543 ' OG ' ' HB2' ' B' ' 13' ' ' GLU . 16.3 p -87.24 160.97 47.57 Favored Pre-proline 0 C--N 1.32 -0.698 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.645 173.69 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_exo -53.46 -39.94 80.29 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.778 2.319 . . . . 0.0 112.802 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -76.38 -15.71 59.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.019 -179.287 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.543 ' HB2' ' OG ' ' B' ' 10' ' ' SER . 24.2 tt0 -84.85 -49.71 8.17 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.074 -175.706 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 14' ' ' GLU . . . . . 0.485 ' O ' ' HB3' ' B' ' 17' ' ' LEU . 45.7 mt-10 -58.83 -37.21 75.93 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.371 177.451 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 15' ' ' ALA . . . . . 0.408 ' O ' ' HB2' ' B' ' 19' ' ' GLU . . . -68.13 -40.64 82.43 Favored 'General case' 0 C--O 1.216 -0.687 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.899 178.754 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.444 ' HA ' ' HB3' ' B' ' 19' ' ' GLU . 1.3 t-80 -64.98 -31.59 72.91 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 178.831 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.497 HD13 ' CH2' ' B' ' 9' ' ' TRP . 30.7 tp -57.26 -56.13 25.79 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.005 177.03 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 18' ' ' ARG . . . . . 0.764 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 12.4 ptt180 -74.02 -31.14 62.79 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.93 178.51 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 19' ' ' GLU . . . . . 0.444 ' HB3' ' HA ' ' B' ' 16' ' ' HIS . 12.2 tp10 -51.37 -48.94 62.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.687 0.756 . . . . 0.0 110.207 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.576 HD13 ' HA ' ' B' ' 36' ' ' ILE . 0.7 OUTLIER -75.08 -28.38 60.28 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.706 -1.134 . . . . 0.0 111.274 -178.434 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -69.73 -50.13 46.47 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.133 0.492 . . . . 0.0 109.873 178.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.764 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 34.7 mt -64.33 -23.46 67.3 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.66 -176.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.07 -35.46 56.59 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.923 178.707 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -116.95 13.41 14.9 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -171.454 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.426 ' HD2' ' HA ' ' B' ' 22' ' ' LEU . 21.8 ptmt -73.01 -13.74 61.29 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.812 0.339 . . . . 0.0 111.496 -178.274 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -118.38 9.02 12.29 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.037 0.446 . . . . 0.0 110.302 178.478 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 63.0 t -100.08 108.72 23.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.452 -178.529 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -99.1 157.59 16.25 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.124 178.763 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.07 -0.79 69.55 Favored Glycine 0 N--CA 1.451 -0.339 0 N-CA-C 110.29 -1.124 . . . . 0.0 110.29 -172.091 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' GLN . . . . . 0.413 ' OE1' ' HB2' ' B' ' 35' ' ' ALA . 12.4 tt0 -147.04 143.94 28.74 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.075 -1.063 . . . . 0.0 108.294 177.662 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -75.3 126.63 31.42 Favored 'General case' 0 C--N 1.317 -0.809 0 C-N-CA 120.335 -0.546 . . . . 0.0 109.8 174.377 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' VAL . . . . . 0.52 ' O ' HG13 ' B' ' 36' ' ' ILE . 9.8 p -60.48 -36.59 70.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 173.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 33' ' ' VAL . . . . . 0.8 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 1.6 t -58.81 -59.59 3.52 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 CA-C-N 115.262 -0.881 . . . . 0.0 109.768 177.347 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -54.54 -38.28 66.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.261 -0.882 . . . . 0.0 110.912 -177.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' ALA . . . . . 0.413 ' HB2' ' OE1' ' B' ' 30' ' ' GLN . . . -58.01 -49.79 75.63 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.151 0.501 . . . . 0.0 110.459 177.869 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.576 ' HA ' HD13 ' B' ' 20' ' ' LEU . 39.6 mt -67.42 -53.75 29.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.588 -179.511 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.8 ' HG ' ' O ' ' B' ' 33' ' ' VAL . 14.8 mt -51.4 -40.53 59.46 Favored 'General case' 0 N--CA 1.468 0.442 0 O-C-N 123.624 0.578 . . . . 0.0 111.2 -176.201 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -89.38 -44.69 10.02 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 113.45 0.907 . . . . 0.0 113.45 -171.118 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' HIS . . . . . 0.523 ' HB2' HD11 ' B' ' 20' ' ' LEU . 55.1 m80 -75.66 -11.48 60.01 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.581 0.585 . . . . 0.0 112.581 -168.746 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.569 ' HG ' ' O ' ' B' ' 36' ' ' ILE . 0.8 OUTLIER -104.16 80.64 1.74 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 122.081 0.943 . . . . 0.0 110.183 169.651 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 28.5 p-10 -83.0 42.04 0.78 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.241 -0.891 . . . . 0.0 110.323 -178.077 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 11.9 t -104.41 1.2 29.85 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.512 -177.736 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' VAL . . . . . 0.829 HG21 ' CZ ' ' B' ' 45' ' ' ARG . 7.2 p -157.22 129.96 4.34 Favored Pre-proline 0 N--CA 1.449 -0.477 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 -171.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -85.78 89.85 0.74 Allowed 'Trans proline' 0 N--CA 1.454 -0.809 0 C-N-CA 122.816 2.344 . . . . 0.0 111.446 166.481 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 45' ' ' ARG . . . . . 0.829 ' CZ ' HG21 ' B' ' 43' ' ' VAL . 0.6 OUTLIER -132.22 160.63 35.59 Favored 'General case' 0 CA--C 1.512 -0.504 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 177.39 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 5.1 t -69.4 148.84 49.07 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 177.071 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 47' ' ' ARG . . . . . 0.457 ' HD2' ' HB3' ' B' ' 37' ' ' LEU . 13.4 mmt180 -61.37 -24.93 66.82 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.334 0.588 . . . . 0.0 110.415 -176.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -59.88 -33.63 72.08 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.792 -1.095 . . . . 0.0 111.421 179.328 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -64.79 -49.81 69.23 Favored 'General case' 0 CA--C 1.52 -0.191 0 C-N-CA 121.025 -0.27 . . . . 0.0 111.039 -177.146 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 2.0 mp -53.33 -52.84 27.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 O-C-N 123.313 0.383 . . . . 0.0 110.867 -178.687 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.5 HG23 ' CG ' ' B' ' 66' ' ' PHE . 82.6 mt -54.91 -49.62 68.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.378 0.609 . . . . 0.0 111.124 179.267 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -60.3 -43.81 95.98 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.96 -176.603 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' HIS . . . . . 0.443 ' HB2' HD21 ' B' ' 17' ' ' LEU . 33.8 m170 -72.0 -25.09 61.69 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.904 -0.318 . . . . 0.0 111.362 -175.275 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 54' ' ' LEU . . . . . 0.506 HD11 HD13 ' B' ' 36' ' ' ILE . 51.1 mt -71.46 -52.64 17.34 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.946 0.879 . . . . 0.0 110.016 176.363 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 55' ' ' VAL . . . . . 0.52 ' HA ' ' HB3' ' B' ' 60' ' ' ALA . 2.4 t -65.44 -35.04 74.36 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.214 0 CA-C-N 114.275 -1.33 . . . . 0.0 110.562 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -73.16 -19.3 61.15 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.685 177.546 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.524 ' SD ' ' HD3' ' B' ' 18' ' ' ARG . 31.5 ttm -88.0 -1.53 58.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.078 0.466 . . . . 0.0 110.609 -178.037 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 85.11 -2.91 88.0 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 121.043 -0.599 . . . . 0.0 112.798 177.059 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.444 HD11 ' CD2' ' B' ' 54' ' ' LEU . 4.3 pp -89.8 -10.61 44.81 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.391 0.615 . . . . 0.0 110.213 -179.595 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 60' ' ' ALA . . . . . 0.52 ' HB3' ' HA ' ' B' ' 55' ' ' VAL . . . -134.02 154.6 51.03 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.313 174.835 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -82.34 -57.0 3.56 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -174.653 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 21.2 t -163.71 167.41 21.07 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.781 0.324 . . . . 0.0 110.738 -176.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 61.7 t -64.56 -17.08 20.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.566 175.511 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 12.0 pttm -54.69 -36.29 64.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 122.109 0.957 . . . . 0.0 110.677 177.19 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -86.59 -16.56 36.41 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 113.804 -1.544 . . . . 0.0 110.182 -172.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 66' ' ' PHE . . . . . 0.5 ' CG ' HG23 ' B' ' 51' ' ' ILE . 37.8 m-85 . . . . . 0 C--N 1.326 -0.454 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.811 -178.305 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 74' ' ' VAL . . . . . 0.494 ' HB ' HH11 ' B' ' 113' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.447 -0.621 0 N-CA-C 107.899 -1.149 . . . . 0.0 107.899 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.48 ' O ' ' HG ' ' B' ' 75' ' ' LEU . 0.6 OUTLIER -48.22 102.78 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.615 0.721 . . . . 0.0 112.047 -171.072 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 76' ' ' TRP . . . . . . . . . . . . . 60.1 m95 -97.42 115.74 28.31 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.486 -176.542 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 43.4 p -102.53 172.43 6.87 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.32 -0.855 . . . . 0.0 108.999 171.53 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -64.11 -30.93 79.16 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.486 -0.864 . . . . 0.0 111.6 176.254 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -76.1 -46.2 30.13 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.775 -0.212 . . . . 0.0 111.127 -178.709 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -68.45 -25.14 64.86 Favored 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 120.347 -0.541 . . . . 0.0 109.614 178.184 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -61.34 -47.55 85.37 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.64 174.369 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 24.7 tp -64.4 -41.04 96.86 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.511 177.655 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.64 -55.71 23.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.243 177.215 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 84' ' ' LEU . . . . . 0.426 HD23 ' NH2' ' B' ' 109' ' ' ARG . 3.1 tm? -62.68 -39.36 93.71 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.07 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 23.7 tm0? -57.77 -55.52 33.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.809 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 23.2 mtp180 -66.39 -45.81 78.77 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.688 0.28 . . . . 0.0 111.613 -179.449 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 8.3 tp -60.04 -44.18 94.83 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.622 -175.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.621 ' O ' ' HG3' ' B' ' 92' ' ' ARG . 6.6 t80 -52.25 -51.15 60.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.019 177.368 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -60.88 -46.29 91.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.052 0.453 . . . . 0.0 111.191 -179.18 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -70.89 -19.96 62.55 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.419 -171.233 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -107.1 6.47 28.91 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 177.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 92' ' ' ARG . . . . . 0.621 ' HG3' ' O ' ' B' ' 88' ' ' PHE . 53.0 mtm180 -68.04 -19.05 64.85 Favored 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 169.493 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -80.97 -1.26 43.02 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 113.723 -1.581 . . . . 0.0 110.647 -178.731 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 27.2 m -104.85 -175.56 2.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.793 -179.264 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -81.35 -21.35 39.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.078 0.466 . . . . 0.0 111.119 -178.392 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -154.01 108.33 3.04 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 175.045 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 97' ' ' VAL . . . . . 0.68 ' O ' HG13 ' B' ' 101' ' ' ILE . 1.3 p -62.72 -43.33 98.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.23 -177.235 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 98' ' ' LEU . . . . . 0.587 HD12 HG13 ' B' ' 97' ' ' VAL . 8.4 mp -76.93 -36.86 56.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.633 0.254 . . . . 0.0 111.202 -176.657 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 99' ' ' GLY . . . . . 0.625 ' O ' ' HD3' ' B' ' 103' ' ' LYS . . . -61.47 -33.07 83.41 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.743 -0.741 . . . . 0.0 111.296 175.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -84.78 -26.31 27.62 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 178.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 101' ' ' ILE . . . . . 0.68 HG13 ' O ' ' B' ' 97' ' ' VAL . 39.7 mt -58.76 -55.07 25.47 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.303 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 172.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 102' ' ' MET . . . . . 0.402 ' CE ' ' HA ' ' B' ' 110' ' ' SER . 26.5 mtt -56.68 -50.3 72.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.107 -0.497 . . . . 0.0 112.134 -177.333 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 103' ' ' LYS . . . . . 0.625 ' HD3' ' O ' ' B' ' 99' ' ' GLY . 0.8 OUTLIER -70.07 -18.76 63.29 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.629 -173.9 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 46.9 m-80 -117.48 15.64 14.68 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.884 -179.187 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 105' ' ' ILE . . . . . 0.604 HG13 ' H ' ' B' ' 107' ' ' ALA . 9.0 tp -110.45 159.29 10.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.423 0.63 . . . . 0.0 111.539 -177.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 2.0 t -94.24 -19.18 20.96 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.859 -1.064 . . . . 0.0 110.346 -179.134 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 107' ' ' ALA . . . . . 0.604 ' H ' HG13 ' B' ' 105' ' ' ILE . . . -92.24 144.52 25.32 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.719 -176.766 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 108' ' ' LYS . . . . . 0.441 ' HA ' ' HE2' ' B' ' 108' ' ' LYS . 7.5 mmpt? -80.12 100.79 8.4 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 169.05 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 109' ' ' ARG . . . . . 0.426 ' NH2' HD23 ' B' ' 84' ' ' LEU . 5.4 ttp180 -130.83 121.25 24.97 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.597 -0.728 . . . . 0.0 109.69 -173.031 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 110' ' ' SER . . . . . 0.41 ' H ' ' NE ' ' B' ' 113' ' ' ARG . 99.1 p -94.22 164.53 13.01 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.371 -176.558 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 111' ' ' ARG . . . . . 0.486 ' O ' HG13 ' B' ' 115' ' ' VAL . 21.8 mmm-85 -56.54 -48.99 76.1 Favored 'General case' 0 N--CA 1.464 0.23 0 O-C-N 123.333 0.395 . . . . 0.0 111.471 -172.186 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -58.93 -36.88 75.49 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 -174.138 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 113' ' ' ARG . . . . . 0.494 HH11 ' HB ' ' B' ' 74' ' ' VAL . 11.0 ptt180 -86.87 -20.19 27.81 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.488 -0.485 . . . . 0.0 111.559 -177.163 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 88.4 mt -74.62 -45.41 45.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.07 0.462 . . . . 0.0 109.982 174.295 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 115' ' ' VAL . . . . . 0.591 ' O ' HD23 ' B' ' 119' ' ' LEU . 15.0 m -66.64 -34.54 70.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.799 -178.014 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -66.85 -31.08 71.46 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.231 -0.441 . . . . 0.0 109.921 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 53.6 tptt -70.48 -40.98 73.32 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.88 177.488 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 118' ' ' LEU . . . . . 0.403 HD12 HD13 ' B' ' 130' ' ' LEU . 21.1 mt -57.23 -48.59 78.43 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-O 121.35 0.595 . . . . 0.0 110.477 178.262 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 119' ' ' LEU . . . . . 0.591 HD23 ' O ' ' B' ' 115' ' ' VAL . 4.4 mm? -61.33 -30.87 70.77 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.684 -1.144 . . . . 0.0 110.839 -178.615 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -72.31 -39.53 68.17 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.76 -179.245 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 10.2 mp -75.5 -25.28 57.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.946 175.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 84.42 31.65 24.41 Favored Glycine 0 N--CA 1.444 -0.797 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.438 -174.449 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 123' ' ' LEU . . . . . 0.5 HD13 ' CD2' ' B' ' 88' ' ' PHE . 92.9 mt -76.72 -28.82 55.97 Favored 'General case' 0 CA--C 1.512 -0.493 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 179.588 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 124' ' ' VAL . . . . . 0.62 HG21 ' CD2' ' B' ' 130' ' ' LEU . 20.3 m -144.16 171.89 6.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 114.373 -1.285 . . . . 0.0 109.704 175.147 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -112.78 -11.06 13.54 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.938 179.475 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 126' ' ' GLU . . . . . 0.416 ' O ' HD21 ' B' ' 130' ' ' LEU . 11.6 pt-20 -153.9 167.03 31.09 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.159 -179.468 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 127' ' ' ARG . . . . . 0.734 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 1.2 mpp_? -80.02 -26.52 39.78 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -175.504 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 128' ' ' ARG . . . . . . . . . . . . . 15.1 ttp180 -60.47 -38.95 85.84 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 -176.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -70.74 -7.27 43.65 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 -170.613 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 130' ' ' LEU . . . . . 0.734 ' HG ' ' O ' ' B' ' 127' ' ' ARG . 0.0 OUTLIER -104.49 16.11 26.77 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.158 0.504 . . . . 0.0 110.642 177.948 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 131' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 . . . . . 0 C--N 1.325 -0.496 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 173.764 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 9' ' ' TRP . . . . . 0.427 ' CH2' HD13 ' B' ' 17' ' ' LEU . 93.1 m95 . . . . . 0 CA--C 1.516 -0.351 0 CA-C-O 121.24 0.543 . . . . 0.0 110.756 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 34.8 p -138.74 151.42 68.57 Favored Pre-proline 0 C--N 1.317 -0.809 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 175.552 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -42.02 -42.7 7.07 Favored 'Trans proline' 0 CA--C 1.531 0.369 0 C-N-CA 123.388 2.726 . . . . 0.0 113.471 178.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' B' ' 13' ' ' GLU . 8.8 pt-20 -66.35 -41.89 88.86 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.277 -179.728 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.409 ' N ' ' HG3' ' B' ' 12' ' ' GLU . 8.9 tp10 -77.45 -31.78 54.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.801 0.334 . . . . 0.0 110.589 -176.251 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -67.48 -37.4 82.84 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.021 0.438 . . . . 0.0 110.004 176.815 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.28 -28.88 69.64 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.033 174.752 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.51 ' HA ' ' CB ' ' B' ' 19' ' ' GLU . 11.9 t-160 -77.99 -29.36 49.58 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.387 177.878 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.49 HD11 HG23 ' B' ' 50' ' ' ILE . 38.9 tp -63.22 -47.67 81.53 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 176.4 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 18' ' ' ARG . . . . . 0.756 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 13.4 ptt180 -77.79 -24.86 48.74 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.698 176.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 19' ' ' GLU . . . . . 0.51 ' CB ' ' HA ' ' B' ' 16' ' ' HIS . 10.2 tp10 -52.45 -53.09 50.11 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.664 0.745 . . . . 0.0 109.98 177.678 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.453 HD13 ' HA ' ' B' ' 36' ' ' ILE . 0.3 OUTLIER -71.73 -29.0 64.06 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.965 -1.016 . . . . 0.0 111.044 -178.933 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 21' ' ' TYR . . . . . 0.413 ' CD2' HD13 ' B' ' 59' ' ' LEU . 90.7 t80 -67.6 -54.25 21.33 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-O 121.292 0.568 . . . . 0.0 109.559 178.379 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.756 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 39.4 mt -62.17 -24.52 67.23 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.067 -0.969 . . . . 0.0 110.854 -177.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.19 -27.63 42.61 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -178.357 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 49.4 m-80 -124.0 12.13 8.99 Favored 'General case' 0 N--CA 1.461 0.121 0 N-CA-C 112.289 0.477 . . . . 0.0 112.289 -175.517 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 13.3 ptmm? -79.16 -14.51 59.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.022 0.439 . . . . 0.0 110.838 -179.541 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -99.52 6.69 45.8 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.542 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 42.6 t -102.56 107.65 22.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -80.7 142.65 33.68 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.324 -178.529 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.88 21.51 63.27 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.714 -0.755 . . . . 0.0 111.856 -178.312 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' GLN . . . . . 0.541 ' OE1' ' HB2' ' B' ' 35' ' ' ALA . 0.9 OUTLIER -138.48 132.04 30.63 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 178.026 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -73.02 95.12 1.97 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.213 178.221 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' VAL . . . . . 0.495 ' O ' HG13 ' B' ' 36' ' ' ILE . 9.4 p -56.69 -30.84 33.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 109.452 -0.574 . . . . 0.0 109.452 177.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 33' ' ' VAL . . . . . 0.665 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 3.3 t -54.37 -59.43 2.17 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 CA-C-N 115.087 -0.961 . . . . 0.0 109.952 177.168 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.534 ' HA ' ' CD1' ' B' ' 37' ' ' LEU . 45.1 mt-10 -72.46 -27.51 62.35 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.695 -178.587 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 35' ' ' ALA . . . . . 0.541 ' HB2' ' OE1' ' B' ' 30' ' ' GLN . . . -53.82 -45.43 70.84 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.42 0.629 . . . . 0.0 109.384 173.014 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.571 ' O ' ' HG ' ' B' ' 40' ' ' LEU . 48.5 mt -73.2 -64.96 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.794 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.863 -178.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.665 ' HG ' ' O ' ' B' ' 33' ' ' VAL . 3.0 pp -65.5 -20.32 66.3 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 -169.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 38' ' ' ALA . . . . . 0.47 ' HB3' ' O ' ' B' ' 34' ' ' GLU . . . -89.77 -27.48 19.99 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 178.531 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 32.0 m80 -87.48 -29.69 21.2 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.393 -0.523 . . . . 0.0 112.214 -176.164 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.571 ' HG ' ' O ' ' B' ' 36' ' ' ILE . 0.6 OUTLIER -97.35 87.83 4.25 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 119.731 -0.788 . . . . 0.0 111.845 179.301 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -83.96 40.39 0.75 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.899 0.856 . . . . 0.0 109.187 178.742 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' THR . . . . . 0.526 HG22 ' HB2' ' B' ' 40' ' ' LEU . 4.7 t -97.64 -12.57 22.28 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.315 177.508 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 43' ' ' VAL . . . . . 0.4 ' HB ' ' HG3' ' B' ' 45' ' ' ARG . 4.1 m -144.13 112.7 5.23 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.262 -177.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -71.07 94.69 0.65 Allowed 'Trans proline' 0 C--O 1.233 0.273 0 C-N-CA 122.285 1.99 . . . . 0.0 111.082 173.194 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 45' ' ' ARG . . . . . 0.4 ' HG3' ' HB ' ' B' ' 43' ' ' VAL . 91.3 mtt-85 -133.96 177.57 7.63 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-O 121.165 0.507 . . . . 0.0 112.262 -171.763 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 12.6 t -108.29 166.53 10.69 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.345 -178.229 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 47' ' ' ARG . . . . . 0.406 ' HA ' HD22 ' B' ' 37' ' ' LEU . 9.9 mpt_? -54.95 -54.53 41.64 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 120.773 0.321 . . . . 0.0 111.372 -177.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 24.8 ttpt -51.17 -32.52 23.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.694 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -69.34 -54.87 12.36 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.801 -172.454 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.49 HG23 HD11 ' B' ' 17' ' ' LEU . 1.7 mp -59.82 -48.98 85.58 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 CA-C-O 120.603 0.239 . . . . 0.0 110.412 178.706 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.503 HG23 ' CG ' ' B' ' 66' ' ' PHE . 78.6 mt -52.96 -48.17 52.18 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.142 -178.852 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -59.33 -43.13 92.75 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.321 -0.854 . . . . 0.0 112.537 -174.176 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 53' ' ' HIS . . . . . 0.528 ' O ' ' HB2' ' B' ' 57' ' ' MET . 9.6 m-70 -73.12 -23.05 60.45 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.985 0.421 . . . . 0.0 110.88 -174.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 54' ' ' LEU . . . . . 0.471 ' HB3' HD11 ' B' ' 59' ' ' LEU . 48.5 mt -76.89 -50.59 12.98 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.559 -178.241 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 55' ' ' VAL . . . . . 0.488 ' HA ' ' HB3' ' B' ' 60' ' ' ALA . 10.7 m -68.49 -26.77 34.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.159 0.504 . . . . 0.0 110.301 179.193 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -79.85 -17.29 53.61 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.962 176.746 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.528 ' HB2' ' O ' ' B' ' 53' ' ' HIS . 26.2 ttm -87.24 -2.83 58.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.114 0.483 . . . . 0.0 110.728 -179.478 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 85.13 -2.39 88.26 Favored Glycine 0 CA--C 1.511 -0.197 0 C-N-CA 121.06 -0.59 . . . . 0.0 112.517 174.302 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.471 HD11 ' HB3' ' B' ' 54' ' ' LEU . 3.5 pp -85.23 -15.34 43.86 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.07 0.462 . . . . 0.0 110.57 -179.375 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 60' ' ' ALA . . . . . 0.488 ' HB3' ' HA ' ' B' ' 55' ' ' VAL . . . -127.19 167.41 16.1 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.019 173.41 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -81.94 -65.84 0.96 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.899 0.38 . . . . 0.0 110.477 177.03 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 41.5 m -148.71 170.95 17.03 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.433 -174.232 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 63' ' ' VAL . . . . . 0.477 HG13 HG21 ' B' ' 51' ' ' ILE . 78.4 t -60.39 -25.53 34.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.549 176.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 18.3 pttm -53.13 -37.68 62.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.635 -0.712 . . . . 0.0 111.497 -179.47 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -66.38 -24.22 66.45 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.077 -0.965 . . . . 0.0 111.507 -178.08 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 66' ' ' PHE . . . . . 0.536 ' CD1' HG22 ' B' ' 33' ' ' VAL . 2.2 m-85 . . . . . 0 C--N 1.325 -0.487 0 CA-C-O 121.515 0.674 . . . . 0.0 109.803 178.608 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 29.5 m . . . . . 0 N--CA 1.439 -1.0 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.92 88.58 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 113.018 0.747 . . . . 0.0 113.018 -171.192 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 76' ' ' TRP . . . . . 0.585 ' CZ3' ' HG2' ' B' ' 80' ' ' GLN . 52.5 m95 -85.55 108.79 18.11 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.349 0.595 . . . . 0.0 111.086 -177.626 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 53.1 p -114.71 177.12 4.76 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.32 175.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -61.39 -31.6 77.96 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.499 -0.858 . . . . 0.0 111.303 173.311 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -70.56 -53.99 13.88 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.66 -0.27 . . . . 0.0 110.307 178.015 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 80' ' ' GLN . . . . . 0.592 ' HG3' ' NH2' ' B' ' 109' ' ' ARG . 32.9 tt0 -66.85 -32.57 73.94 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.148 -176.769 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -60.04 -41.28 91.93 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 176.24 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 82' ' ' LEU . . . . . 0.508 ' O ' ' HG3' ' B' ' 86' ' ' ARG . 25.1 tp -67.78 -43.27 80.15 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.433 176.569 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -51.43 -47.78 62.9 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.047 0.451 . . . . 0.0 110.471 178.315 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 84' ' ' LEU . . . . . 0.42 HD11 HG23 ' B' ' 114' ' ' ILE . 50.0 tp -59.93 -52.47 65.27 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.561 178.671 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 85' ' ' GLN . . . . . 0.455 ' O ' ' HG3' ' B' ' 89' ' ' GLU . 28.9 tt0 -56.96 -50.62 72.08 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 123.767 0.667 . . . . 0.0 111.693 -175.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 86' ' ' ARG . . . . . 0.508 ' HG3' ' O ' ' B' ' 82' ' ' LEU . 76.5 mtp180 -55.56 -53.05 61.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.467 -177.349 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 9.6 mp -63.8 -39.46 94.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.771 0.32 . . . . 0.0 110.879 179.261 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.625 ' O ' ' HB2' ' B' ' 92' ' ' ARG . 11.9 t80 -54.45 -48.34 71.85 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.774 176.371 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 89' ' ' GLU . . . . . 0.455 ' HG3' ' O ' ' B' ' 85' ' ' GLN . 48.2 mt-10 -66.04 -39.72 90.39 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.25 0.547 . . . . 0.0 110.996 179.078 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -71.79 -35.62 70.06 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.749 -0.659 . . . . 0.0 112.473 -170.637 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -112.3 18.04 18.91 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.922 0.391 . . . . 0.0 111.03 -177.462 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 92' ' ' ARG . . . . . 0.625 ' HB2' ' O ' ' B' ' 88' ' ' PHE . 45.8 ttp180 -68.92 -33.52 73.87 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.654 -174.45 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -77.18 18.37 0.39 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.462 -0.79 . . . . 0.0 112.264 -177.242 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 89.2 p -104.59 177.88 4.72 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 176.419 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -74.1 -27.64 60.97 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.17 0.51 . . . . 0.0 110.321 -179.244 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -143.32 101.07 3.74 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.853 179.633 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 97' ' ' VAL . . . . . 0.483 ' O ' HG13 ' B' ' 101' ' ' ILE . 7.8 p -75.14 -34.44 31.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.475 -176.773 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 98' ' ' LEU . . . . . 0.426 ' O ' ' HG2' ' B' ' 102' ' ' MET . 5.9 mp -65.88 -38.02 87.67 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.543 0.571 . . . . 0.0 112.543 -172.469 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -60.74 -34.52 87.06 Favored Glycine 0 C--O 1.226 -0.399 0 C-N-CA 120.727 -0.749 . . . . 0.0 111.852 179.036 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -75.28 -25.87 58.31 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.938 0.399 . . . . 0.0 109.96 179.008 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 101' ' ' ILE . . . . . 0.483 HG13 ' O ' ' B' ' 97' ' ' VAL . 71.7 mt -69.91 -64.46 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.774 178.674 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 102' ' ' MET . . . . . 0.426 ' HG2' ' O ' ' B' ' 98' ' ' LEU . 5.9 ptp -63.89 -21.57 66.52 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.103 -0.499 . . . . 0.0 112.183 -174.213 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 5.9 mptp? -86.07 -33.27 21.01 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -93.23 -19.5 21.35 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.607 -175.436 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 105' ' ' ILE . . . . . 0.548 HG12 ' NH2' ' B' ' 109' ' ' ARG . 11.1 tp -91.17 152.08 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.179 0.514 . . . . 0.0 110.829 -179.083 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 7.1 t -72.31 -31.04 65.34 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.196 -0.911 . . . . 0.0 111.567 -175.01 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 107' ' ' ALA . . . . . 0.417 ' O ' HG23 ' B' ' 105' ' ' ILE . . . -86.93 127.52 35.06 Favored 'General case' 0 CA--C 1.515 -0.37 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.052 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 108' ' ' LYS . . . . . 0.43 ' HA ' ' HE2' ' B' ' 108' ' ' LYS . 11.1 mmpt? -82.15 100.74 10.0 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.483 0.659 . . . . 0.0 109.311 178.728 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 109' ' ' ARG . . . . . 0.592 ' NH2' ' HG3' ' B' ' 80' ' ' GLN . 33.9 mtt180 -110.84 132.4 54.23 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.223 -0.899 . . . . 0.0 108.79 -178.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 32.6 t -85.59 167.09 15.69 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.967 -174.607 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 111' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' B' ' 111' ' ' ARG . 10.1 mmt180 -57.71 -53.58 56.62 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 -173.162 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.03 -26.44 64.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.124 0.488 . . . . 0.0 111.335 -178.022 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 113' ' ' ARG . . . . . 0.543 ' HD2' ' HE1' ' B' ' 76' ' ' TRP . 6.6 tpp180 -85.88 -35.63 20.46 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.913 -177.651 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 114' ' ' ILE . . . . . 0.42 HG23 HD11 ' B' ' 84' ' ' LEU . 86.1 mt -72.42 -47.34 52.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.421 177.069 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 115' ' ' VAL . . . . . 0.55 ' O ' HD23 ' B' ' 119' ' ' LEU . 36.0 m -61.72 -40.6 87.39 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-O 120.921 0.391 . . . . 0.0 110.884 -178.833 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -64.24 -36.2 83.32 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.631 -178.486 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 55.3 tptt -71.7 -38.07 70.58 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.074 -177.619 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 118' ' ' LEU . . . . . 0.625 HD22 HD12 ' B' ' 123' ' ' LEU . 18.1 mt -57.42 -47.37 81.94 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-O 121.189 0.519 . . . . 0.0 110.398 175.603 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 119' ' ' LEU . . . . . 0.55 HD23 ' O ' ' B' ' 115' ' ' VAL . 4.5 mm? -63.19 -32.76 74.23 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.102 -0.953 . . . . 0.0 111.069 -178.749 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -84.12 -24.1 30.42 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.148 -177.305 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 48.8 tp -92.76 -13.13 29.68 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.457 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 78.11 34.92 35.93 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.555 178.726 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 123' ' ' LEU . . . . . 0.625 HD12 HD22 ' B' ' 118' ' ' LEU . 42.5 mt -84.79 -24.03 28.89 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.261 0.553 . . . . 0.0 110.023 177.481 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 124' ' ' VAL . . . . . 0.542 HG21 HD21 ' B' ' 130' ' ' LEU . 14.0 m -146.46 -176.32 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.215 -179.215 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -116.16 -6.79 11.89 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.266 179.433 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -175.36 171.98 2.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.019 -174.564 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 127' ' ' ARG . . . . . 0.736 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 8.9 mpt_? -78.17 -20.46 51.92 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.7 0.286 . . . . 0.0 111.262 178.826 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 128' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' B' ' 128' ' ' ARG . 4.5 ttm180 -59.32 -36.3 75.38 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.305 0.574 . . . . 0.0 110.916 -178.337 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -78.63 -7.57 57.76 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.298 -0.864 . . . . 0.0 112.3 -171.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 130' ' ' LEU . . . . . 0.736 ' HG ' ' O ' ' B' ' 127' ' ' ARG . 0.4 OUTLIER -83.48 -10.06 58.59 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.662 0.744 . . . . 0.0 109.914 -176.014 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 131' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 . . . . . 0 C--N 1.317 -0.834 0 CA-C-N 115.1 -0.955 . . . . 0.0 109.011 -175.227 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 9' ' ' TRP . . . . . 0.555 ' CE3' ' HG2' ' B' ' 13' ' ' GLU . 81.6 m95 . . . . . 0 C--O 1.237 0.415 0 CA-C-O 121.402 0.62 . . . . 0.0 111.936 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 12.2 m -79.18 156.37 76.55 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.773 176.693 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -50.77 -47.01 27.11 Favored 'Trans proline' 0 CA--C 1.531 0.364 0 C-N-CA 122.694 2.263 . . . . 0.0 112.663 178.03 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -67.12 -29.29 68.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.941 0.4 . . . . 0.0 110.567 178.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.555 ' HG2' ' CE3' ' B' ' 9' ' ' TRP . 22.9 tt0 -72.88 -40.37 65.65 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.354 -174.847 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -71.82 -32.19 67.32 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 120.829 0.347 . . . . 0.0 110.727 175.63 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' ALA . . . . . 0.415 ' O ' ' HG2' ' B' ' 18' ' ' ARG . . . -68.4 -45.14 73.47 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.831 0.348 . . . . 0.0 110.14 175.746 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.473 ' HA ' ' HB3' ' B' ' 19' ' ' GLU . 21.8 t-160 -60.56 -27.08 67.41 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 123.351 0.66 . . . . 0.0 110.426 173.804 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.554 HD11 HG23 ' B' ' 50' ' ' ILE . 15.5 tp -67.9 -46.04 72.72 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 -179.683 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 18' ' ' ARG . . . . . 0.739 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 33.6 ptt180 -78.06 -29.42 49.25 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 176.194 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 19' ' ' GLU . . . . . 0.473 ' HB3' ' HA ' ' B' ' 16' ' ' HIS . 15.7 tp10 -50.57 -52.36 39.68 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.746 0.784 . . . . 0.0 110.155 177.398 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.96 -32.26 69.07 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.751 -1.113 . . . . 0.0 111.164 -179.013 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 21' ' ' TYR . . . . . 0.423 ' HA ' HD11 ' B' ' 36' ' ' ILE . 87.2 t80 -70.18 -50.8 36.53 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.218 -177.828 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.739 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 63.1 mt -58.18 -30.28 66.3 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.693 -177.683 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.36 -47.07 36.48 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.695 -0.684 . . . . 0.0 112.183 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 46.8 m-80 -108.04 16.05 23.75 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -172.265 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 14.6 ptmm? -75.46 -20.46 58.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.79 0.329 . . . . 0.0 111.321 -178.702 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -101.19 10.04 41.26 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.145 0.497 . . . . 0.0 110.751 -176.281 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 41.8 t -92.67 107.91 19.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.858 179.09 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -92.86 150.13 20.81 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.169 -178.455 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.71 21.21 60.14 Favored Glycine 0 N--CA 1.449 -0.446 0 N-CA-C 110.18 -1.168 . . . . 0.0 110.18 -172.21 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -142.81 151.02 40.73 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 114.795 -0.703 . . . . 0.0 110.217 -174.559 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 31' ' ' ASP . . . . . 0.502 ' HB2' ' HB3' ' B' ' 34' ' ' GLU . 9.8 m-20 -88.98 102.61 15.25 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 173.655 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 32' ' ' VAL . . . . . 0.612 ' O ' HG12 ' B' ' 36' ' ' ILE . 9.8 p -58.67 -43.85 88.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.803 -176.022 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 33' ' ' VAL . . . . . 0.821 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 13.5 p -68.38 -35.43 70.75 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.594 0 C-N-CA 121.094 -0.242 . . . . 0.0 110.462 -176.774 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.502 ' HB3' ' HB2' ' B' ' 31' ' ' ASP . 35.0 tt0 -58.79 -46.11 88.32 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 175.249 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.75 -36.9 70.31 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.697 176.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.612 HG12 ' O ' ' B' ' 32' ' ' VAL . 7.0 mm -71.6 -63.69 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.037 179.691 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.821 ' HG ' ' O ' ' B' ' 33' ' ' VAL . 6.0 mt -48.37 -42.18 30.97 Favored 'General case' 0 N--CA 1.477 0.878 0 O-C-N 124.001 0.813 . . . . 0.0 111.902 -174.338 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.59 -25.16 22.62 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 -168.567 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 43.6 m80 -86.09 -29.9 23.0 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 119.997 -0.681 . . . . 0.0 111.399 -176.24 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.405 ' C ' ' H ' ' B' ' 42' ' ' THR . 0.5 OUTLIER -99.12 84.07 2.98 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.754 0.787 . . . . 0.0 111.032 175.952 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 -81.35 38.36 0.48 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.517 0.675 . . . . 0.0 110.473 -177.18 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 42' ' ' THR . . . . . 0.405 ' H ' ' C ' ' B' ' 40' ' ' LEU . 4.9 t -91.93 -22.67 19.91 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.263 -0.881 . . . . 0.0 109.477 176.621 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 2.3 m -121.81 115.19 30.82 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.5 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo -71.23 88.16 0.72 Allowed 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 121.943 1.762 . . . . 0.0 109.561 167.563 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 23.4 mtt85 -140.8 176.37 8.85 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.372 0.606 . . . . 0.0 112.381 -170.27 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 72.9 p -105.19 -172.45 2.1 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.831 -1.077 . . . . 0.0 110.562 -178.652 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 47' ' ' ARG . . . . . 0.499 ' O ' HG13 ' B' ' 51' ' ' ILE . 3.9 mmt180 -71.19 -50.78 29.57 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.0 0.428 . . . . 0.0 109.916 -175.315 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.509 ' HE2' ' OE1' ' B' ' 49' ' ' GLN . 21.2 ttpt -53.99 -36.42 62.91 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 115.224 -0.898 . . . . 0.0 112.264 -174.746 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.509 ' OE1' ' HE2' ' B' ' 48' ' ' LYS . 0.2 OUTLIER -55.83 -60.94 2.75 Favored 'General case' 0 C--O 1.239 0.532 0 CA-C-O 121.443 0.64 . . . . 0.0 111.381 -179.736 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.554 HG23 HD11 ' B' ' 17' ' ' LEU . 1.9 mp -61.51 -42.48 94.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.885 -177.676 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.499 HG13 ' O ' ' B' ' 47' ' ' ARG . 79.5 mt -52.98 -47.2 54.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.793 179.465 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 4.6 m80 -54.79 -51.38 65.96 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-N 115.267 -0.879 . . . . 0.0 112.199 -176.252 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 53' ' ' HIS . . . . . 0.43 ' HB2' ' CD2' ' B' ' 17' ' ' LEU . 96.7 m-70 -62.57 -35.17 78.65 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 120.595 -0.442 . . . . 0.0 111.801 -176.582 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 54' ' ' LEU . . . . . 0.502 HD22 HD11 ' B' ' 59' ' ' LEU . 91.8 mt -69.35 -48.28 61.8 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.789 0.328 . . . . 0.0 110.928 -176.08 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 21.8 m -72.28 -21.97 20.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.064 0.459 . . . . 0.0 110.593 179.385 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -78.0 -28.96 49.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.234 177.617 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 67.1 mtm -83.84 0.95 45.44 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.995 -0.282 . . . . 0.0 111.304 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 75.06 5.31 75.5 Favored Glycine 0 CA--C 1.511 -0.162 0 C-N-CA 120.977 -0.63 . . . . 0.0 112.645 175.455 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.502 HD11 HD22 ' B' ' 54' ' ' LEU . 4.1 pp -88.32 -13.55 40.47 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.489 0.662 . . . . 0.0 109.584 178.438 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -129.26 157.73 41.03 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.045 -0.979 . . . . 0.0 109.562 173.759 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -78.33 -66.6 0.83 Allowed 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -175.208 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 24.8 m -149.51 164.27 35.51 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.757 0.313 . . . . 0.0 111.246 -172.19 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 63' ' ' VAL . . . . . 0.405 HG22 HG22 ' B' ' 51' ' ' ILE . 46.3 t -66.34 -32.06 56.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.997 -179.459 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 64' ' ' LYS . . . . . 0.428 ' NZ ' ' HB3' ' B' ' 64' ' ' LYS . 9.6 mtpm? -55.89 -30.08 60.99 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.737 -0.665 . . . . 0.0 112.431 -178.561 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -73.77 -18.47 60.97 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.111 0.481 . . . . 0.0 110.52 -176.179 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 66' ' ' PHE . . . . . 0.423 ' CG ' HG23 ' B' ' 51' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.327 -0.407 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.175 -179.479 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 74' ' ' VAL . . . . . 0.49 HG11 ' HG2' ' B' ' 109' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.446 -0.625 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.93 102.7 0.06 Allowed 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.398 0.618 . . . . 0.0 111.434 -178.659 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 76' ' ' TRP . . . . . 0.611 ' CH2' HD23 ' B' ' 84' ' ' LEU . 20.7 m95 -90.33 113.13 24.93 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.264 177.792 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 24.9 p -124.53 175.11 7.37 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.562 178.257 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -53.98 -47.56 65.84 Favored Glycine 0 C--O 1.229 -0.205 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.465 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 79' ' ' ASP . . . . . 0.484 ' O ' ' HG3' ' B' ' 83' ' ' GLU . 8.8 m-20 -59.86 -56.56 20.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.812 0.339 . . . . 0.0 110.659 177.802 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 80' ' ' GLN . . . . . 0.456 ' NE2' ' HA ' ' B' ' 76' ' ' TRP . 0.1 OUTLIER -58.72 -40.64 84.29 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.022 -175.696 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -65.08 -48.69 72.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.374 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 82' ' ' LEU . . . . . 0.415 HD13 ' C ' ' B' ' 82' ' ' LEU . 2.4 tm? -63.79 -42.5 97.72 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.976 -179.299 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 83' ' ' GLU . . . . . 0.484 ' HG3' ' O ' ' B' ' 79' ' ' ASP . 63.8 mt-10 -61.31 -44.63 96.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.696 0.284 . . . . 0.0 111.211 -179.397 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 84' ' ' LEU . . . . . 0.611 HD23 ' CH2' ' B' ' 76' ' ' TRP . 15.5 tp -72.45 -36.26 68.48 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.934 -0.306 . . . . 0.0 110.555 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -55.13 -61.55 2.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.229 178.319 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 86' ' ' ARG . . . . . 0.447 ' O ' ' HG2' ' B' ' 90' ' ' GLU . 55.6 mtp180 -60.5 -42.73 96.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.591 -175.179 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 87' ' ' LEU . . . . . 0.443 ' HG ' ' CE2' ' B' ' 91' ' ' PHE . 4.5 mp -60.6 -46.01 91.87 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.721 -179.212 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.655 ' O ' ' HB2' ' B' ' 92' ' ' ARG . 1.6 t80 -56.26 -35.75 67.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.791 178.69 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -76.99 -42.04 40.39 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 179.284 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 90' ' ' GLU . . . . . 0.447 ' HG2' ' O ' ' B' ' 86' ' ' ARG . 11.6 pt-20 -89.79 -25.33 21.15 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -167.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 91' ' ' PHE . . . . . 0.443 ' CE2' ' HG ' ' B' ' 87' ' ' LEU . 78.5 m-85 -95.33 12.74 28.07 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.599 0.714 . . . . 0.0 109.933 175.735 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 92' ' ' ARG . . . . . 0.655 ' HB2' ' O ' ' B' ' 88' ' ' PHE . 51.1 ttt180 -81.11 -12.09 59.34 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.243 -0.889 . . . . 0.0 111.625 -173.676 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -86.46 5.56 34.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.806 0.336 . . . . 0.0 111.066 -179.041 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 61.9 p -104.78 172.04 7.0 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 175.582 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -66.15 -27.58 68.13 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 -171.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -144.51 105.03 4.13 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.994 0.426 . . . . 0.0 110.499 179.329 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 97' ' ' VAL . . . . . 0.594 HG22 ' HA ' ' B' ' 92' ' ' ARG . 2.6 t -62.08 -54.56 32.77 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.362 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.636 -175.296 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 98' ' ' LEU . . . . . 0.526 ' H ' HD12 ' B' ' 98' ' ' LEU . 4.5 mp -63.22 -25.9 68.55 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.088 -0.96 . . . . 0.0 111.673 -170.633 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 99' ' ' GLY . . . . . 0.56 ' O ' ' HD3' ' B' ' 103' ' ' LYS . . . -66.87 -46.19 76.59 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.887 -0.673 . . . . 0.0 111.874 177.571 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 78.8 m80 -74.37 -28.58 61.17 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 178.427 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 101' ' ' ILE . . . . . 0.474 ' HB ' ' HA ' ' B' ' 98' ' ' LEU . 29.8 mt -57.37 -56.4 15.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.375 -0.829 . . . . 0.0 110.499 173.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 102' ' ' MET . . . . . 0.425 ' HG3' ' O ' ' B' ' 98' ' ' LEU . 60.4 mtt -60.43 -36.92 79.32 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.808 -177.661 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 103' ' ' LYS . . . . . 0.56 ' HD3' ' O ' ' B' ' 99' ' ' GLY . 5.3 mptp? -77.06 -18.73 57.86 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.667 -177.045 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -101.88 -27.17 13.14 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.914 -0.314 . . . . 0.0 111.612 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 105' ' ' ILE . . . . . 0.499 HG12 ' NH2' ' B' ' 109' ' ' ARG . 5.7 tp -90.36 149.01 4.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 121.7 0.762 . . . . 0.0 111.855 -170.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 106' ' ' THR . . . . . 0.425 ' N ' HG13 ' B' ' 105' ' ' ILE . 1.7 t -72.78 -28.15 62.43 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 114.861 -1.063 . . . . 0.0 111.227 -178.162 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 107' ' ' ALA . . . . . 0.403 ' H ' HG13 ' B' ' 105' ' ' ILE . . . -90.82 128.07 36.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.777 0.322 . . . . 0.0 110.92 -178.441 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 108' ' ' LYS . . . . . 0.419 ' HA ' ' HE3' ' B' ' 108' ' ' LYS . 0.0 OUTLIER -89.58 102.35 15.03 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.748 0.785 . . . . 0.0 109.631 176.511 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 109' ' ' ARG . . . . . 0.499 ' NH2' HG12 ' B' ' 105' ' ' ILE . 31.9 mtm180 -117.7 145.85 44.13 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.721 -1.127 . . . . 0.0 109.375 -177.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 37.6 t -84.91 160.91 20.03 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 179.294 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 111' ' ' ARG . . . . . 0.507 ' CZ ' ' HB2' ' B' ' 98' ' ' LEU . 10.6 mmt180 -55.96 -41.82 75.3 Favored 'General case' 0 C--N 1.33 -0.271 0 O-C-N 123.299 0.374 . . . . 0.0 110.433 179.659 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -58.87 -37.35 76.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.412 -179.567 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 62.4 mtt180 -74.11 -39.96 63.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.813 0.34 . . . . 0.0 110.667 -178.462 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 114' ' ' ILE . . . . . 0.553 HG23 HD21 ' B' ' 84' ' ' LEU . 84.5 mt -74.11 -51.69 22.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.57 -173.741 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 115' ' ' VAL . . . . . 0.582 ' O ' HD23 ' B' ' 119' ' ' LEU . 20.1 m -63.24 -36.34 75.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-O 120.704 0.287 . . . . 0.0 110.6 -176.488 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -58.63 -42.14 87.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.51 0.672 . . . . 0.0 110.592 176.125 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 117' ' ' LYS . . . . . 0.505 ' O ' HD13 ' B' ' 121' ' ' LEU . 6.6 mmtm -79.68 -30.25 41.04 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.889 -175.118 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 118' ' ' LEU . . . . . 0.449 HD22 HD12 ' B' ' 123' ' ' LEU . 6.5 mt -62.59 -41.81 99.18 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.388 -0.525 . . . . 0.0 110.782 176.154 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 119' ' ' LEU . . . . . 0.582 HD23 ' O ' ' B' ' 115' ' ' VAL . 4.6 mm? -68.69 -26.53 65.34 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.587 178.365 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -83.77 -44.97 13.85 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.129 -177.66 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 121' ' ' LEU . . . . . 0.505 HD13 ' O ' ' B' ' 117' ' ' LYS . 10.0 mp -64.69 -24.98 67.75 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 121.102 0.477 . . . . 0.0 110.723 176.022 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 78.13 33.14 41.48 Favored Glycine 0 N--CA 1.442 -0.915 0 C-N-CA 120.735 -0.745 . . . . 0.0 111.306 -173.669 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 123' ' ' LEU . . . . . 0.449 HD12 HD22 ' B' ' 118' ' ' LEU . 40.8 mt -82.96 -17.75 42.42 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-O 121.638 0.732 . . . . 0.0 109.058 177.381 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 124' ' ' VAL . . . . . 0.669 HG22 ' H ' ' B' ' 125' ' ' ALA . 2.5 p -148.54 179.15 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.436 -1.165 0 CA-C-N 114.964 -1.016 . . . . 0.0 109.824 175.539 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 125' ' ' ALA . . . . . 0.669 ' H ' HG22 ' B' ' 124' ' ' VAL . . . -117.93 -7.23 10.93 Favored 'General case' 0 C--N 1.303 -1.418 0 CA-C-N 114.542 -1.208 . . . . 0.0 110.706 -179.143 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 126' ' ' GLU . . . . . 0.522 ' HG3' ' HG2' ' B' ' 129' ' ' GLU . 5.6 pt-20 -172.94 147.9 1.71 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.964 -168.779 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 127' ' ' ARG . . . . . 0.732 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 71.6 mtm-85 -69.92 -30.14 67.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.715 0.293 . . . . 0.0 111.627 -175.536 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 128' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' B' ' 128' ' ' ARG . 9.6 ptt-85 -65.07 -6.94 10.07 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -178.317 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 129' ' ' GLU . . . . . 0.553 ' HB3' ' NH2' ' B' ' 92' ' ' ARG . 7.4 mm-40 -90.37 -23.74 21.01 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.077 0.465 . . . . 0.0 111.12 177.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 130' ' ' LEU . . . . . 0.732 ' HG ' ' O ' ' B' ' 127' ' ' ARG . 0.0 OUTLIER -96.19 10.92 36.24 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.575 176.962 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 131' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 . . . . . 0 C--N 1.324 -0.505 0 CA-C-N 115.12 -0.945 . . . . 0.0 108.918 172.85 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 32.3 m95 . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.731 0.301 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 18.1 m -86.75 151.75 53.02 Favored Pre-proline 0 C--N 1.322 -0.598 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 175.557 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -49.73 -48.01 20.88 Favored 'Trans proline' 0 N--CA 1.477 0.533 0 C-N-CA 122.866 2.378 . . . . 0.0 112.813 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -64.86 -34.35 78.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.634 0.731 . . . . 0.0 110.594 178.08 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -72.44 -37.28 68.61 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.986 -1.006 . . . . 0.0 110.397 -176.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -70.14 -27.93 64.95 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.135 0.493 . . . . 0.0 110.156 175.159 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' ALA . . . . . 0.456 ' O ' ' HB2' ' B' ' 19' ' ' GLU . . . -68.69 -27.36 65.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.01 174.348 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.546 ' HA ' ' CB ' ' B' ' 19' ' ' GLU . 23.1 t-160 -83.36 -26.57 30.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.452 -0.794 . . . . 0.0 109.698 176.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -63.9 -51.03 66.39 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 175.53 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' ARG . . . . . 0.741 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 15.0 ptm180 -70.67 -32.34 69.57 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.994 174.349 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 19' ' ' GLU . . . . . 0.546 ' CB ' ' HA ' ' B' ' 16' ' ' HIS . 13.5 tp10 -49.01 -57.06 7.14 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 121.411 0.624 . . . . 0.0 110.702 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.449 HD11 ' HB2' ' B' ' 39' ' ' HIS . 3.2 mt -60.98 -38.14 84.93 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.026 -0.988 . . . . 0.0 111.433 -179.544 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 21' ' ' TYR . . . . . 0.484 ' HA ' HD11 ' B' ' 36' ' ' ILE . 54.5 t80 -70.37 -42.14 72.17 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.955 0.407 . . . . 0.0 111.028 -176.602 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.741 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 58.1 mt -69.91 -20.02 63.38 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.944 -177.072 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -89.2 -45.13 9.78 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.419 178.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -82.12 -10.72 59.09 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -173.772 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -67.08 -21.32 65.89 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 121.012 0.434 . . . . 0.0 110.369 175.64 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -89.71 -8.39 52.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.411 -178.458 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 42.1 t -92.42 125.95 44.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.862 -177.762 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -95.97 132.99 40.71 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.837 -175.091 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.42 -33.8 4.94 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.962 -0.637 . . . . 0.0 112.255 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' GLN . . . . . 0.51 ' OE1' ' HB2' ' B' ' 35' ' ' ALA . 1.0 OUTLIER -79.02 125.22 29.1 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 178.91 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -61.94 110.63 1.62 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.365 -178.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' VAL . . . . . 0.668 ' O ' HG12 ' B' ' 36' ' ' ILE . 2.0 p -62.47 -40.08 86.77 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.363 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.846 -173.266 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 33' ' ' VAL . . . . . 0.696 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 0.8 OUTLIER -67.48 -40.13 83.86 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.561 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 -174.891 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.576 ' HA ' HD11 ' B' ' 37' ' ' LEU . 3.2 tm-20 -67.56 -40.14 84.93 Favored 'General case' 0 N--CA 1.441 -0.895 0 CA-C-N 115.283 -0.871 . . . . 0.0 109.442 -179.181 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 35' ' ' ALA . . . . . 0.51 ' HB2' ' OE1' ' B' ' 30' ' ' GLN . . . -55.84 -42.85 76.4 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.16 0.505 . . . . 0.0 110.868 179.476 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.668 HG12 ' O ' ' B' ' 32' ' ' VAL . 4.8 mm -69.36 -57.59 8.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.03 -176.605 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.696 ' HG ' ' O ' ' B' ' 33' ' ' VAL . 2.9 pp -64.83 -18.96 65.59 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.641 -0.709 . . . . 0.0 112.117 -176.184 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -79.77 -52.64 7.68 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 -177.415 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' HIS . . . . . 0.449 ' HB2' HD11 ' B' ' 20' ' ' LEU . 79.0 m80 -83.09 -24.14 32.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.814 0.34 . . . . 0.0 111.772 -168.019 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.561 ' HB2' ' NH2' ' B' ' 45' ' ' ARG . 16.0 mt -76.46 83.08 3.17 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.014 0.435 . . . . 0.0 111.653 -178.455 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 39.5 m-80 -104.93 38.49 1.91 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.637 0.732 . . . . 0.0 109.091 171.614 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 42' ' ' THR . . . . . 0.41 HG23 HG12 ' B' ' 43' ' ' VAL . 8.3 t -96.94 -19.06 19.07 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.409 -1.269 . . . . 0.0 109.416 176.774 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 43' ' ' VAL . . . . . 0.442 ' O ' ' HD3' ' B' ' 45' ' ' ARG . 7.3 p -149.88 124.32 4.66 Favored Pre-proline 0 N--CA 1.447 -0.625 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.05 -175.415 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -75.73 120.39 5.82 Favored 'Trans proline' 0 N--CA 1.46 -0.462 0 C-N-CA 122.237 1.958 . . . . 0.0 112.007 177.563 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 45' ' ' ARG . . . . . 0.561 ' NH2' ' HB2' ' B' ' 40' ' ' LEU . 0.0 OUTLIER -156.6 167.88 29.1 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 179.138 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 6.0 t -76.84 153.68 34.6 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 172.048 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 47' ' ' ARG . . . . . 0.509 ' CG ' HD22 ' B' ' 37' ' ' LEU . 0.1 OUTLIER -60.69 -25.03 66.09 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.309 0.576 . . . . 0.0 110.818 -178.407 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -55.37 -39.52 70.19 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.154 -0.93 . . . . 0.0 111.323 177.196 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -65.65 -33.83 76.81 Favored 'General case' 0 C--O 1.222 -0.352 0 CA-C-N 116.684 -0.234 . . . . 0.0 111.444 -175.75 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.511 HG21 ' HB ' ' B' ' 36' ' ' ILE . 2.9 mp -61.19 -59.1 4.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 120.957 0.408 . . . . 0.0 110.032 178.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.489 HG13 ' CD2' ' B' ' 66' ' ' PHE . 2.1 mp -54.74 -42.79 63.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.093 -0.958 . . . . 0.0 110.417 177.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 52' ' ' HIS . . . . . 0.572 ' HB3' ' NE2' ' B' ' 56' ' ' GLN . 2.7 m-70 -66.37 -53.67 33.31 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.265 -0.879 . . . . 0.0 112.06 -177.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -59.73 -33.6 71.84 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 111.762 0.282 . . . . 0.0 111.762 -175.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 54' ' ' LEU . . . . . 0.528 ' CD2' HD11 ' B' ' 59' ' ' LEU . 76.3 mt -65.25 -49.37 69.87 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.073 -179.003 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 11.7 m -76.77 -24.43 15.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.173 0.511 . . . . 0.0 110.452 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 56' ' ' GLN . . . . . 0.572 ' NE2' ' HB3' ' B' ' 52' ' ' HIS . 40.1 mt-30 -66.68 -33.4 75.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.361 177.624 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 73.6 mtm -91.64 11.05 25.67 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.889 0.376 . . . . 0.0 111.2 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 67.86 8.32 52.62 Favored Glycine 0 C--N 1.331 0.293 0 CA-C-N 115.741 -0.663 . . . . 0.0 113.273 173.547 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.528 HD11 ' CD2' ' B' ' 54' ' ' LEU . 4.5 pp -90.25 -18.71 25.16 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.527 0.68 . . . . 0.0 109.966 -178.704 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -110.33 161.02 16.04 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.43 172.486 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -72.13 -68.37 0.47 Allowed 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.792 178.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 58.8 m -164.72 176.17 9.05 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.2 0.524 . . . . 0.0 111.951 -175.7 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 3.6 t -61.03 -24.69 33.81 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 CA-C-N 114.976 -1.011 . . . . 0.0 110.717 176.746 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -61.64 -30.92 71.02 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.117 -0.947 . . . . 0.0 112.086 -177.004 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -82.17 -19.13 40.51 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.275 0.559 . . . . 0.0 110.943 -178.048 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 66' ' ' PHE . . . . . 0.489 ' CD2' HG13 ' B' ' 51' ' ' ILE . 44.9 m-85 . . . . . 0 C--N 1.327 -0.38 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -172.486 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 74' ' ' VAL . . . . . 0.579 HG21 ' HG2' ' B' ' 109' ' ' ARG . 3.9 m . . . . . 0 N--CA 1.446 -0.669 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.545 ' O ' HD12 ' B' ' 75' ' ' LEU . 0.6 OUTLIER -50.13 90.98 0.0 OUTLIER 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 121.684 0.754 . . . . 0.0 113.023 -178.528 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 76' ' ' TRP . . . . . 0.71 ' CH2' HD23 ' B' ' 84' ' ' LEU . 17.8 m95 -88.45 109.27 19.89 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 171.455 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 69.6 p -101.12 160.26 14.54 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.782 176.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -54.01 -38.51 60.75 Favored Glycine 0 CA--C 1.519 0.283 0 C-N-CA 121.283 -0.484 . . . . 0.0 113.438 -177.473 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -74.76 -42.63 57.83 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.741 0.27 . . . . 0.0 111.589 -176.56 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -80.56 -25.39 38.61 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.671 -0.412 . . . . 0.0 110.354 -177.133 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -67.1 -44.48 79.89 Favored 'General case' 0 CA--C 1.52 -0.195 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 175.241 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 17.5 tp -63.59 -40.13 96.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.176 175.393 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 83' ' ' GLU . . . . . 0.42 ' O ' ' HB2' ' B' ' 87' ' ' LEU . 11.3 tp10 -56.14 -49.13 74.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.289 178.152 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 84' ' ' LEU . . . . . 0.71 HD23 ' CH2' ' B' ' 76' ' ' TRP . 26.0 tp -73.15 -31.29 64.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.784 179.746 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -56.07 -59.67 4.58 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 175.288 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 47.6 mtp180 -56.89 -44.63 82.48 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.914 177.636 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 87' ' ' LEU . . . . . 0.42 ' HB2' ' O ' ' B' ' 83' ' ' GLU . 4.6 tp -58.02 -50.18 74.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.117 -175.728 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -57.29 -46.89 82.69 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.283 179.326 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -65.45 -33.37 75.78 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.259 -178.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -84.2 -26.14 28.97 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.258 -172.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -107.77 -1.68 20.71 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.419 0.526 . . . . 0.0 112.419 -177.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 92' ' ' ARG . . . . . 0.456 ' HA ' ' HB ' ' B' ' 97' ' ' VAL . 25.8 ptt180 -72.76 -9.25 58.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.486 0.66 . . . . 0.0 109.711 175.568 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -58.95 -18.71 36.22 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.793 171.566 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 24.1 t -103.62 179.63 4.22 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 178.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -71.89 -50.57 28.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.022 0.439 . . . . 0.0 110.63 -177.49 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -112.32 103.61 11.75 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.942 -178.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 97' ' ' VAL . . . . . 0.456 ' HB ' ' HA ' ' B' ' 92' ' ' ARG . 10.3 p -76.98 -34.59 22.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.624 -176.834 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 98' ' ' LEU . . . . . 0.469 ' HA ' HD12 ' B' ' 101' ' ' ILE . 4.1 mp -72.03 -32.35 67.05 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.335 0.494 . . . . 0.0 112.335 -172.863 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -59.49 -40.26 96.0 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.587 -0.816 . . . . 0.0 111.614 174.315 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 83.6 m-70 -77.72 -30.25 51.61 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 178.243 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 101' ' ' ILE . . . . . 0.478 ' O ' HG22 ' B' ' 105' ' ' ILE . 42.3 mt -56.55 -59.57 2.82 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.303 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.994 173.522 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 21.4 mmt -53.62 -37.75 63.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.077 -0.51 . . . . 0.0 112.092 -177.496 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -87.17 -11.49 49.78 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.16 -0.473 . . . . 0.0 112.271 -174.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -115.81 -15.98 11.23 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.385 -0.526 . . . . 0.0 112.2 -178.511 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 105' ' ' ILE . . . . . 0.478 HG22 ' O ' ' B' ' 101' ' ' ILE . 11.1 tp -91.91 156.98 2.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.427 0.632 . . . . 0.0 111.225 -177.615 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 106' ' ' THR . . . . . 0.452 ' N ' HG13 ' B' ' 105' ' ' ILE . 14.7 t -78.91 -43.78 24.07 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.276 -0.875 . . . . 0.0 111.416 -178.564 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 107' ' ' ALA . . . . . 0.4 ' N ' HG23 ' B' ' 106' ' ' THR . . . -85.26 126.81 33.99 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-O 120.615 0.245 . . . . 0.0 110.415 -178.02 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 9.0 mptt -91.84 102.72 15.32 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.506 0.669 . . . . 0.0 110.314 179.555 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 109' ' ' ARG . . . . . 0.579 ' HG2' HG21 ' B' ' 74' ' ' VAL . 12.7 mtm180 -104.13 -178.09 3.56 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.913 -1.04 . . . . 0.0 110.696 -178.011 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 110' ' ' SER . . . . . 0.473 ' O ' HG13 ' B' ' 114' ' ' ILE . 18.5 m -100.28 148.24 24.88 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.462 167.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 61.7 mtp180 -65.06 -36.68 85.11 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -172.488 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -58.77 -38.57 78.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.044 0.45 . . . . 0.0 111.899 -177.253 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 113' ' ' ARG . . . . . 0.486 ' O ' ' HB2' ' B' ' 117' ' ' LYS . 1.8 ptp180 -87.11 -19.25 28.8 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.559 -178.407 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 114' ' ' ILE . . . . . 0.473 HG13 ' O ' ' B' ' 110' ' ' SER . 77.5 mt -69.91 -50.99 44.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 175.117 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 115' ' ' VAL . . . . . 0.422 ' O ' HD23 ' B' ' 119' ' ' LEU . 27.0 m -61.63 -37.96 79.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.97 -178.157 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -74.24 -32.21 62.89 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.202 -177.437 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 117' ' ' LYS . . . . . 0.486 ' HB2' ' O ' ' B' ' 113' ' ' ARG . 6.2 tmtt? -72.09 -27.65 62.79 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.386 178.669 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 118' ' ' LEU . . . . . 0.567 HD22 HD12 ' B' ' 123' ' ' LEU . 19.7 mt -57.76 -46.52 84.41 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 121.086 0.469 . . . . 0.0 110.02 173.817 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 119' ' ' LEU . . . . . 0.422 HD23 ' O ' ' B' ' 115' ' ' VAL . 4.4 mm? -56.55 -36.26 69.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.484 178.236 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -73.39 -37.13 66.09 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.381 -178.195 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 121' ' ' LEU . . . . . 0.404 HD13 ' O ' ' B' ' 117' ' ' LYS . 10.9 mp -71.48 -25.41 62.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.031 0.443 . . . . 0.0 110.922 175.061 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 80.44 29.31 44.9 Favored Glycine 0 N--CA 1.442 -0.919 0 C-N-CA 120.649 -0.786 . . . . 0.0 111.275 -171.676 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 123' ' ' LEU . . . . . 0.567 HD12 HD22 ' B' ' 118' ' ' LEU . 43.8 mt -76.96 -21.41 54.81 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-O 121.607 0.718 . . . . 0.0 109.235 177.494 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 124' ' ' VAL . . . . . 0.425 HG21 ' CD2' ' B' ' 130' ' ' LEU . 12.2 m -147.9 177.64 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 114.59 -1.186 . . . . 0.0 109.605 176.111 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -117.73 -7.69 10.97 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.694 176.762 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -158.91 152.45 22.93 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 114.815 -1.084 . . . . 0.0 109.152 -175.341 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 127' ' ' ARG . . . . . 0.64 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 36.4 mtm-85 -74.9 -21.12 59.4 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.124 0.487 . . . . 0.0 110.496 177.813 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 128' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -51.22 -34.79 33.64 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 114.728 -1.124 . . . . 0.0 112.232 -179.573 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -73.48 -33.24 64.73 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -176.732 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 130' ' ' LEU . . . . . 0.64 ' HG ' ' O ' ' B' ' 127' ' ' ARG . 0.1 OUTLIER -91.62 20.45 5.44 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.341 0.591 . . . . 0.0 110.738 -176.627 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 131' ' ' TYR . . . . . 0.515 ' CE2' ' HB3' ' B' ' 127' ' ' ARG . 16.6 m-85 . . . . . 0 C--N 1.319 -0.751 0 CA-C-N 115.173 -0.922 . . . . 0.0 109.022 178.669 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 59.3 m95 . . . . . 0 CA--C 1.516 -0.361 0 CA-C-O 120.887 0.375 . . . . 0.0 110.534 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 33.8 p -89.4 165.65 24.89 Favored Pre-proline 0 C--N 1.313 -0.98 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 173.706 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -51.36 -33.42 46.08 Favored 'Trans proline' 0 N--CA 1.462 -0.344 0 C-N-CA 122.138 1.892 . . . . 0.0 111.292 171.788 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -73.51 -37.47 65.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.212 177.246 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.483 ' CD ' HG21 ' B' ' 42' ' ' THR . 6.8 tp10 -68.12 -42.81 79.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.521 0.2 . . . . 0.0 111.332 -173.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -73.52 -25.05 60.24 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.264 -0.574 . . . . 0.0 110.476 177.547 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' ALA . . . . . 0.488 ' O ' ' HB2' ' B' ' 19' ' ' GLU . . . -71.12 -26.35 62.98 Favored 'General case' 0 C--O 1.225 -0.219 0 CA-C-O 121.454 0.645 . . . . 0.0 109.671 171.782 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.496 ' O ' ' HB3' ' B' ' 19' ' ' GLU . 11.4 t-160 -81.71 -28.76 33.28 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.737 -1.12 . . . . 0.0 110.147 176.562 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.538 ' CD2' ' HB2' ' B' ' 53' ' ' HIS . 21.9 tp -67.75 -45.66 74.31 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.701 176.843 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 18' ' ' ARG . . . . . 0.818 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 12.0 ptm180 -72.16 -33.39 67.68 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 175.341 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 19' ' ' GLU . . . . . 0.496 ' HB3' ' O ' ' B' ' 16' ' ' HIS . 8.3 tp10 -50.58 -50.78 52.84 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.156 177.681 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.454 ' HB3' HG12 ' B' ' 36' ' ' ILE . 0.4 OUTLIER -69.2 -33.17 72.94 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.675 -1.148 . . . . 0.0 111.445 -178.479 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -68.63 -50.58 50.31 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 121.421 0.629 . . . . 0.0 109.968 -178.024 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.818 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 16.3 mt -63.14 -26.48 68.83 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.915 -1.038 . . . . 0.0 111.21 -178.264 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.4 -30.32 37.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.045 -0.525 . . . . 0.0 112.373 -175.262 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 45.5 m-80 -119.99 22.65 11.39 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -173.662 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -85.37 -13.66 48.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.954 0.407 . . . . 0.0 111.156 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -98.84 23.91 8.28 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.907 0.86 . . . . 0.0 110.431 -177.506 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 21.8 t -113.36 108.01 24.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.586 -176.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -88.29 143.36 27.07 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.223 -176.665 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.95 27.45 49.99 Favored Glycine 0 N--CA 1.447 -0.578 0 N-CA-C 110.394 -1.083 . . . . 0.0 110.394 -173.3 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.47 151.69 39.54 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.009 -0.596 . . . . 0.0 110.679 -173.268 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -95.41 107.22 19.35 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 172.623 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' VAL . . . . . 0.561 ' O ' HG13 ' B' ' 36' ' ' ILE . 9.3 p -58.45 -33.15 47.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 178.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 33' ' ' VAL . . . . . 0.794 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 3.1 t -55.26 -58.77 3.49 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.598 0 CA-C-N 114.736 -1.12 . . . . 0.0 110.03 175.665 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.485 ' HA ' HD12 ' B' ' 37' ' ' LEU . 8.7 tp10 -60.2 -34.13 73.2 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.655 -175.27 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.64 -46.26 87.5 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 121.553 0.692 . . . . 0.0 109.587 176.376 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.561 HG13 ' O ' ' B' ' 32' ' ' VAL . 35.7 mt -69.82 -56.21 12.22 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.425 179.161 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.794 ' HG ' ' O ' ' B' ' 33' ' ' VAL . 28.0 mt -43.49 -43.5 5.44 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 124.049 0.843 . . . . 0.0 112.07 -175.044 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -85.67 -35.01 21.17 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 -171.533 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' HIS . . . . . 0.448 ' HB2' HD11 ' B' ' 20' ' ' LEU . 32.2 m80 -75.8 -30.61 59.12 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 -169.745 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.616 ' HG ' ' O ' ' B' ' 40' ' ' LEU . 1.8 pt? -99.79 83.52 2.76 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 122.388 1.09 . . . . 0.0 111.393 -178.521 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 23.6 p-10 -84.31 40.61 0.78 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.243 -0.89 . . . . 0.0 109.639 175.005 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 42' ' ' THR . . . . . 0.483 HG21 ' CD ' ' B' ' 13' ' ' GLU . 5.0 t -96.58 -29.74 13.69 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.76 -1.109 . . . . 0.0 110.806 -175.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 43' ' ' VAL . . . . . 0.4 HG12 HG23 ' B' ' 42' ' ' THR . 3.9 p -131.57 130.69 22.49 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.698 -174.107 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -80.8 101.94 1.34 Allowed 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 122.667 2.244 . . . . 0.0 111.922 177.355 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 45' ' ' ARG . . . . . 0.488 ' CZ ' HD11 ' B' ' 50' ' ' ILE . 0.0 OUTLIER -156.53 169.21 25.17 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.647 -178.055 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 46' ' ' THR . . . . . 0.527 ' OG1' ' HG2' ' B' ' 49' ' ' GLN . 82.4 p -76.72 176.83 8.08 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.969 0.414 . . . . 0.0 111.005 -178.497 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 47' ' ' ARG . . . . . 0.527 ' HD2' ' HB3' ' B' ' 37' ' ' LEU . 27.4 mmt180 -73.93 -29.74 62.19 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 177.724 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 25.1 ttpp -62.11 -36.74 82.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.056 -0.975 . . . . 0.0 110.852 176.156 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.527 ' HG2' ' OG1' ' B' ' 46' ' ' THR . 15.5 mm100 -60.86 -38.92 87.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.271 -178.04 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.507 HG23 HD11 ' B' ' 17' ' ' LEU . 2.1 mp -61.19 -54.81 30.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.894 0.378 . . . . 0.0 110.107 176.357 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.429 HG21 HG13 ' B' ' 63' ' ' VAL . 63.9 mt -59.46 -45.4 93.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.379 -176.866 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 52' ' ' HIS . . . . . 0.493 ' O ' ' HB2' ' B' ' 56' ' ' GLN . 1.7 m-70 -60.75 -39.35 88.37 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.181 -175.22 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 53' ' ' HIS . . . . . 0.538 ' HB2' ' CD2' ' B' ' 17' ' ' LEU . 71.3 m-70 -69.95 -28.82 65.88 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.521 -0.472 . . . . 0.0 110.901 179.725 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 54' ' ' LEU . . . . . 0.504 HD22 HD11 ' B' ' 59' ' ' LEU . 75.5 mt -74.53 -49.46 21.89 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.216 0.532 . . . . 0.0 110.509 -177.302 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 55' ' ' VAL . . . . . 0.457 ' HA ' ' HB3' ' B' ' 60' ' ' ALA . 18.6 m -70.66 -30.9 44.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.547 -179.479 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 56' ' ' GLN . . . . . 0.493 ' HB2' ' O ' ' B' ' 52' ' ' HIS . 25.0 mt-30 -75.78 -18.53 59.49 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.048 176.755 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.64 ' SD ' ' HD2' ' B' ' 18' ' ' ARG . 23.1 ttm -82.83 -11.02 58.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.097 0.475 . . . . 0.0 110.337 -179.053 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 86.78 2.28 84.48 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.619 178.422 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.504 HD11 HD22 ' B' ' 54' ' ' LEU . 4.2 pp -87.83 -9.55 53.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.323 0.582 . . . . 0.0 109.986 179.099 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 60' ' ' ALA . . . . . 0.457 ' HB3' ' HA ' ' B' ' 55' ' ' VAL . . . -132.88 164.91 25.84 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.107 173.355 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -74.67 -66.17 0.78 Allowed 'General case' 0 CA--C 1.514 -0.432 0 CA-C-O 120.828 0.347 . . . . 0.0 111.002 177.683 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 16.9 p -157.2 173.79 16.44 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.954 -176.409 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 63' ' ' VAL . . . . . 0.429 HG13 HG21 ' B' ' 51' ' ' ILE . 91.6 t -64.95 -28.37 44.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.495 -177.169 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 13.8 pttm -63.0 -28.57 70.2 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.663 0.744 . . . . 0.0 110.876 -177.732 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -68.17 -20.17 64.85 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.756 -1.111 . . . . 0.0 110.855 178.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 66' ' ' PHE . . . . . 0.408 ' HD1' HG22 ' B' ' 33' ' ' VAL . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.352 0 CA-C-O 121.814 0.816 . . . . 0.0 109.07 176.18 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 74' ' ' VAL . . . . . 0.487 HG11 ' HG2' ' B' ' 109' ' ' ARG . 61.1 t . . . . . 0 N--CA 1.43 -1.426 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.592 ' O ' ' HG ' ' B' ' 75' ' ' LEU . 2.3 pt? -47.66 94.93 0.01 OUTLIER 'General case' 0 C--N 1.316 -0.849 0 O-C-N 124.275 0.984 . . . . 0.0 110.808 178.587 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 76' ' ' TRP . . . . . 0.504 ' CH2' HD22 ' B' ' 84' ' ' LEU . 44.6 m95 -95.99 108.12 20.48 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.493 -177.397 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 44.4 p -123.05 176.27 6.13 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.09 -0.959 . . . . 0.0 108.816 179.387 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -61.88 -42.62 99.76 Favored Glycine 0 N--CA 1.453 -0.177 0 C-N-CA 120.481 -0.866 . . . . 0.0 111.37 177.289 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -64.29 -49.73 70.67 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.89 0.376 . . . . 0.0 110.678 177.268 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.72 -33.45 75.14 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.272 -178.282 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -78.4 -39.7 38.21 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.862 -177.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 20.9 tp -61.52 -40.65 95.41 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 174.283 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 83' ' ' GLU . . . . . 0.455 ' O ' ' HB2' ' B' ' 87' ' ' LEU . 8.5 mm-40 -56.2 -45.03 79.98 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.336 175.183 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 84' ' ' LEU . . . . . 0.504 HD22 ' CH2' ' B' ' 76' ' ' TRP . 31.6 tp -60.62 -48.85 79.95 Favored 'General case' 0 C--N 1.333 -0.139 0 O-C-N 123.365 0.416 . . . . 0.0 110.854 175.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -54.47 -56.29 20.23 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 123.572 0.545 . . . . 0.0 110.782 -176.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 7.6 mtp180 -60.17 -51.49 69.38 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 120.82 -0.352 . . . . 0.0 111.23 178.623 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 87' ' ' LEU . . . . . 0.593 HD23 HG23 ' B' ' 101' ' ' ILE . 12.2 tp -53.0 -47.94 67.89 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.13 -177.079 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.424 ' O ' ' HG3' ' B' ' 92' ' ' ARG . 44.1 t80 -62.57 -59.8 4.42 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.256 -179.308 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 89' ' ' GLU . . . . . 0.492 ' OE1' ' HD2' ' B' ' 92' ' ' ARG . 6.2 mm-40 -54.96 -41.58 71.3 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-O 121.482 0.658 . . . . 0.0 111.564 -176.791 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -71.14 -20.22 62.34 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 115.068 -0.969 . . . . 0.0 112.374 -175.722 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -118.82 13.65 13.22 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 92' ' ' ARG . . . . . 0.492 ' HD2' ' OE1' ' B' ' 89' ' ' GLU . 18.9 mtp180 -61.67 -27.49 68.72 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-O 120.883 0.373 . . . . 0.0 111.138 -179.051 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -65.93 5.7 0.46 Allowed 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.144 -0.934 . . . . 0.0 112.453 -178.182 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 20.1 m -104.71 142.91 33.85 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 172.676 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -66.57 -13.92 61.67 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 120.834 0.35 . . . . 0.0 110.947 -177.666 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -137.11 87.63 2.29 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 169.581 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 97' ' ' VAL . . . . . 0.425 HG12 ' O ' ' B' ' 130' ' ' LEU . 7.6 p -70.85 -31.24 44.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.897 -177.616 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 98' ' ' LEU . . . . . 0.532 ' O ' ' HG2' ' B' ' 102' ' ' MET . 5.4 mp -64.74 -32.68 74.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.491 -176.385 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 99' ' ' GLY . . . . . 0.561 ' O ' ' HD3' ' B' ' 103' ' ' LYS . . . -58.1 -45.7 93.6 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.503 -0.856 . . . . 0.0 111.07 174.358 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 18.0 m-70 -69.47 -34.72 74.77 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.578 -0.526 . . . . 0.0 109.578 178.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 101' ' ' ILE . . . . . 0.593 HG23 HD23 ' B' ' 87' ' ' LEU . 29.4 mt -59.54 -65.09 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.007 -179.344 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 102' ' ' MET . . . . . 0.532 ' HG2' ' O ' ' B' ' 98' ' ' LEU . 7.5 ptp -66.59 -19.46 65.78 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 -172.183 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 103' ' ' LYS . . . . . 0.561 ' HD3' ' O ' ' B' ' 99' ' ' GLY . 5.5 mptp? -86.36 -36.78 19.01 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.735 177.77 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -94.01 -4.95 48.64 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.211 0.448 . . . . 0.0 112.211 -174.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 105' ' ' ILE . . . . . 0.532 HG13 ' H ' ' B' ' 107' ' ' ALA . 7.0 tp -91.73 148.66 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.358 0.599 . . . . 0.0 110.946 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 106' ' ' THR . . . . . 0.454 ' N ' HG13 ' B' ' 105' ' ' ILE . 6.1 t -63.73 -21.7 66.53 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.994 -1.003 . . . . 0.0 111.845 -177.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 107' ' ' ALA . . . . . 0.532 ' H ' HG13 ' B' ' 105' ' ' ILE . . . -112.32 128.68 56.35 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.517 -178.162 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 108' ' ' LYS . . . . . 0.481 ' HA ' ' HE3' ' B' ' 108' ' ' LYS . 0.0 OUTLIER -77.73 101.8 6.83 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.492 0.663 . . . . 0.0 109.82 -179.299 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 109' ' ' ARG . . . . . 0.487 ' HG2' HG11 ' B' ' 74' ' ' VAL . 23.5 mtt85 -105.53 160.6 15.05 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.045 -178.185 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 42.0 t -98.37 165.41 11.87 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.549 171.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 111' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' B' ' 111' ' ' ARG . 12.8 mmt85 -58.09 -44.2 87.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.406 -176.477 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -61.06 -25.22 66.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.643 -178.072 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 113' ' ' ARG . . . . . 0.604 ' NE ' ' HA ' ' B' ' 113' ' ' ARG . 2.3 mmp_? -81.31 -32.46 33.08 Favored 'General case' 0 CA--C 1.509 -0.633 0 CA-C-O 121.315 0.579 . . . . 0.0 110.871 -178.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 114' ' ' ILE . . . . . 0.435 ' HB ' HD23 ' B' ' 98' ' ' LEU . 57.0 mt -83.66 -42.61 17.54 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.158 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.6 -174.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 115' ' ' VAL . . . . . 0.57 ' O ' HD23 ' B' ' 119' ' ' LEU . 34.6 m -63.29 -38.34 81.87 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.134 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.473 179.045 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -61.73 -48.21 81.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.249 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 117' ' ' LYS . . . . . 0.518 ' O ' HD13 ' B' ' 121' ' ' LEU . 0.4 OUTLIER -70.73 -29.62 65.93 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 120.389 -0.525 . . . . 0.0 111.659 -173.953 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 118' ' ' LEU . . . . . 0.44 ' HB3' HG22 ' B' ' 124' ' ' VAL . 13.3 mt -58.54 -46.35 87.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.905 0.383 . . . . 0.0 110.732 178.001 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 119' ' ' LEU . . . . . 0.57 HD23 ' O ' ' B' ' 115' ' ' VAL . 4.3 mm? -63.42 -32.13 73.48 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.561 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -73.12 -40.25 65.08 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.76 -177.519 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 121' ' ' LEU . . . . . 0.518 HD13 ' O ' ' B' ' 117' ' ' LYS . 9.7 mp -73.97 -24.27 59.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.146 174.401 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 77.56 30.77 52.56 Favored Glycine 0 N--CA 1.444 -0.771 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.427 -174.663 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 123' ' ' LEU . . . . . 0.413 ' HB3' ' CE1' ' B' ' 88' ' ' PHE . 59.1 mt -75.07 -19.98 59.74 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.861 0.839 . . . . 0.0 109.238 179.108 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 124' ' ' VAL . . . . . 0.445 HG21 ' CD2' ' B' ' 130' ' ' LEU . 30.6 m -141.14 170.43 13.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 114.31 -1.314 . . . . 0.0 110.107 176.773 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -99.0 -22.42 15.74 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.789 177.586 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 126' ' ' GLU . . . . . 0.445 ' HG3' ' H ' ' B' ' 128' ' ' ARG . 5.5 pt-20 -169.09 -179.63 3.67 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.336 -0.847 . . . . 0.0 108.989 -179.553 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 127' ' ' ARG . . . . . 0.712 ' HA ' HD21 ' B' ' 130' ' ' LEU . 48.4 mtp180 -72.54 -21.86 61.1 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -177.06 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 128' ' ' ARG . . . . . 0.445 ' H ' ' HG3' ' B' ' 126' ' ' GLU . 4.5 ttm180 -56.97 -38.49 73.05 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.818 0.342 . . . . 0.0 111.458 174.795 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -71.08 -15.84 62.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.839 -0.619 . . . . 0.0 112.584 -171.8 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 130' ' ' LEU . . . . . 0.712 HD21 ' HA ' ' B' ' 127' ' ' ARG . 0.1 OUTLIER -95.0 2.54 55.36 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.312 0.577 . . . . 0.0 110.709 -177.675 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 131' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 . . . . . 0 C--N 1.322 -0.619 0 N-CA-C 107.926 -1.138 . . . . 0.0 107.926 173.457 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 9' ' ' TRP . . . . . 0.411 ' CH2' HD13 ' B' ' 17' ' ' LEU . 32.2 m95 . . . . . 0 N--CA 1.451 -0.377 0 CA-C-O 121.142 0.496 . . . . 0.0 110.566 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 47.2 m -135.74 153.58 77.44 Favored Pre-proline 0 C--N 1.319 -0.73 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 178.224 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -41.31 -44.71 5.72 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 123.632 2.888 . . . . 0.0 113.928 -175.092 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' GLU . . . . . 0.466 ' H ' ' CD ' ' B' ' 12' ' ' GLU . 1.7 mp0 -58.0 -50.38 73.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.132 0.491 . . . . 0.0 110.989 179.751 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.441 ' CD ' HG21 ' B' ' 42' ' ' THR . 6.3 tp10 -75.71 -31.49 59.68 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.6 -175.173 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -70.26 -34.4 72.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.202 0.525 . . . . 0.0 109.85 177.077 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' ALA . . . . . 0.404 ' O ' ' HB2' ' B' ' 19' ' ' GLU . . . -66.61 -33.81 76.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.943 -0.572 . . . . 0.0 109.897 173.644 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.531 ' O ' ' HB3' ' B' ' 19' ' ' GLU . 14.3 t-160 -74.12 -27.25 60.78 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.23 176.027 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.455 HD21 ' HB2' ' B' ' 53' ' ' HIS . 34.6 tp -67.37 -46.62 72.78 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.234 -0.439 . . . . 0.0 109.992 177.08 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 18' ' ' ARG . . . . . 0.737 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 38.3 ptt180 -72.42 -28.25 62.85 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 175.88 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 19' ' ' GLU . . . . . 0.531 ' HB3' ' O ' ' B' ' 16' ' ' HIS . 8.1 tp10 -53.54 -51.56 62.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.294 179.637 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.453 HD11 ' HB2' ' B' ' 39' ' ' HIS . 0.4 OUTLIER -75.75 -26.82 57.77 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.167 -0.924 . . . . 0.0 111.245 -178.481 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -71.09 -50.37 34.4 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-O 121.035 0.445 . . . . 0.0 110.114 179.558 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.737 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 51.7 mt -63.14 -25.75 68.5 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.285 -178.243 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.17 -54.75 11.51 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.477 178.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -96.14 2.57 53.24 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 -171.529 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -77.16 -12.96 60.01 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.458 178.619 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -93.52 9.79 35.21 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.863 0.839 . . . . 0.0 110.019 178.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 31.2 t -108.32 107.49 22.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.678 -176.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -79.89 148.1 31.43 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.093 177.693 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.59 7.24 87.72 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.138 -179.631 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' GLN . . . . . 0.467 ' HG2' ' N ' ' B' ' 31' ' ' ASP . 36.7 tt0 -131.39 153.2 49.92 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.135 0.493 . . . . 0.0 111.019 -178.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 31' ' ' ASP . . . . . 0.467 ' N ' ' HG2' ' B' ' 30' ' ' GLN . 38.3 m-20 -86.99 115.39 24.34 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.862 171.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 32' ' ' VAL . . . . . 0.455 ' O ' HG13 ' B' ' 36' ' ' ILE . 8.1 p -65.96 -34.58 71.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.148 178.216 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 33' ' ' VAL . . . . . 0.694 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 1.3 p -58.36 -51.15 74.81 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.784 -177.845 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -65.78 -29.26 69.72 Favored 'General case' 0 CA--C 1.521 -0.149 0 C-N-CA 121.11 -0.236 . . . . 0.0 111.504 -178.586 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' ALA . . . . . 0.424 ' HB2' ' NE2' ' B' ' 30' ' ' GLN . . . -63.78 -46.27 86.01 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.558 0.695 . . . . 0.0 110.177 176.578 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.466 HD13 HD11 ' B' ' 54' ' ' LEU . 28.6 mt -70.39 -62.43 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.096 -176.675 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.694 ' HG ' ' O ' ' B' ' 33' ' ' VAL . 2.9 pp -57.89 -26.48 62.2 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 112.958 0.725 . . . . 0.0 112.958 -171.671 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 38' ' ' ALA . . . . . 0.574 ' N ' HD12 ' B' ' 37' ' ' LEU . . . -88.35 -41.67 12.7 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 -176.688 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 39' ' ' HIS . . . . . 0.453 ' HB2' HD11 ' B' ' 20' ' ' LEU . 59.4 m80 -75.57 -30.37 59.65 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.492 -0.483 . . . . 0.0 111.244 -175.64 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.408 ' HB3' ' CE1' ' B' ' 16' ' ' HIS . 1.0 OUTLIER -103.4 80.54 1.83 Allowed 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 122.263 1.03 . . . . 0.0 110.948 172.241 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -89.21 39.81 0.96 Allowed 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.177 -0.919 . . . . 0.0 109.366 176.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 42' ' ' THR . . . . . 0.441 HG21 ' CD ' ' B' ' 13' ' ' GLU . 2.6 t -88.72 -28.59 20.45 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.43 -1.259 . . . . 0.0 110.73 -177.285 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 43' ' ' VAL . . . . . 0.564 ' O ' ' HD3' ' B' ' 45' ' ' ARG . 0.2 OUTLIER -112.66 126.08 28.9 Favored Pre-proline 0 C--N 1.326 -0.448 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 -179.73 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -76.8 102.73 1.65 Allowed 'Trans proline' 0 N--CA 1.46 -0.452 0 C-N-CA 121.505 1.47 . . . . 0.0 111.171 171.797 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 45' ' ' ARG . . . . . 0.564 ' HD3' ' O ' ' B' ' 43' ' ' VAL . 0.0 OUTLIER -148.06 174.39 11.97 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.759 -176.325 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 14.9 t -83.05 161.3 21.73 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 172.445 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 47' ' ' ARG . . . . . 0.462 ' HD2' HD22 ' B' ' 37' ' ' LEU . 18.6 mmt180 -68.41 -28.42 67.07 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.3 0.571 . . . . 0.0 110.304 -175.096 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.405 ' HD3' ' N ' ' B' ' 49' ' ' GLN . 0.4 OUTLIER -55.54 -32.08 62.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.812 176.846 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.407 ' HB2' ' HG3' ' B' ' 45' ' ' ARG . 41.6 mt-30 -64.3 -44.33 91.94 Favored 'General case' 0 CA--C 1.512 -0.517 0 N-CA-C 111.556 0.206 . . . . 0.0 111.556 -177.236 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.541 HD11 ' CZ ' ' B' ' 45' ' ' ARG . 4.3 mp -61.85 -49.04 85.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 120.968 0.413 . . . . 0.0 110.037 -177.219 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.482 HG23 ' CD2' ' B' ' 66' ' ' PHE . 71.6 mt -57.6 -47.29 85.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.119 178.615 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 52' ' ' HIS . . . . . 0.492 ' HB3' ' OE1' ' B' ' 56' ' ' GLN . 4.4 m-70 -74.1 -48.49 29.28 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 114.665 -1.152 . . . . 0.0 112.586 -172.291 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 53' ' ' HIS . . . . . 0.455 ' HB2' HD21 ' B' ' 17' ' ' LEU . 13.3 m-70 -54.89 -33.75 62.3 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 120.937 0.399 . . . . 0.0 111.195 -176.256 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 54' ' ' LEU . . . . . 0.546 HD22 HD11 ' B' ' 59' ' ' LEU . 74.3 mt -74.19 -47.34 36.3 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.827 -177.307 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 55' ' ' VAL . . . . . 0.435 HG11 ' C ' ' B' ' 62' ' ' SER . 34.7 m -72.45 -22.49 20.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.156 0.503 . . . . 0.0 110.306 178.314 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 56' ' ' GLN . . . . . 0.492 ' OE1' ' HB3' ' B' ' 52' ' ' HIS . 20.6 mt-30 -71.56 -24.52 61.94 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.221 175.535 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 73.4 mtm -91.34 2.77 56.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.95 0.405 . . . . 0.0 110.804 177.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 67.98 14.74 66.2 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 121.094 -0.574 . . . . 0.0 112.876 176.689 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.546 HD11 HD22 ' B' ' 54' ' ' LEU . 4.0 pp -97.17 -20.08 18.19 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.566 0.698 . . . . 0.0 109.871 178.378 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 60' ' ' ALA . . . . . 0.441 ' N ' HD12 ' B' ' 59' ' ' LEU . . . -112.58 150.49 31.29 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.248 171.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -68.09 -66.74 0.53 Allowed 'General case' 0 C--N 1.322 -0.621 0 O-C-N 123.334 0.396 . . . . 0.0 111.715 -174.069 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 62' ' ' SER . . . . . 0.435 ' C ' HG11 ' B' ' 55' ' ' VAL . 14.6 m -154.71 176.58 12.26 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.09 -0.504 . . . . 0.0 109.772 -174.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 47.0 t -63.83 -27.73 43.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.43 0.634 . . . . 0.0 109.6 174.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -61.23 -25.19 66.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.204 178.29 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -66.02 -36.93 84.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.675 0.75 . . . . 0.0 109.983 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 66' ' ' PHE . . . . . 0.482 ' CD2' HG23 ' B' ' 51' ' ' ILE . 38.6 m-85 . . . . . 0 C--N 1.319 -0.725 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.348 -179.185 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 74' ' ' VAL . . . . . 0.453 HG21 ' HG2' ' B' ' 109' ' ' ARG . 11.7 m . . . . . 0 N--CA 1.443 -0.775 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.449 ' O ' HD12 ' B' ' 75' ' ' LEU . 0.4 OUTLIER -49.85 91.74 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.94 0 O-C-N 123.92 0.763 . . . . 0.0 112.539 179.745 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 76' ' ' TRP . . . . . 0.565 ' CH2' HD22 ' B' ' 84' ' ' LEU . 64.8 m95 -92.22 109.9 21.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.015 0.436 . . . . 0.0 111.008 176.649 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 77' ' ' THR . . . . . 0.589 ' O ' ' HG3' ' B' ' 81' ' ' GLU . 72.6 p -107.11 164.64 11.98 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.984 177.072 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -53.52 -43.75 67.28 Favored Glycine 0 CA--C 1.519 0.313 0 C-N-CA 121.37 -0.443 . . . . 0.0 112.846 -177.648 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -64.65 -41.65 95.97 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.661 0.267 . . . . 0.0 110.536 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -69.31 -31.7 70.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.798 -178.036 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 81' ' ' GLU . . . . . 0.589 ' HG3' ' O ' ' B' ' 77' ' ' THR . 48.0 mt-10 -63.66 -36.76 84.9 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 174.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 20.4 tp -69.7 -42.38 74.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.304 175.268 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -56.98 -43.57 81.82 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.263 177.273 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 84' ' ' LEU . . . . . 0.565 HD22 ' CH2' ' B' ' 76' ' ' TRP . 58.2 tp -57.36 -53.06 62.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.945 175.343 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 85' ' ' GLN . . . . . 0.419 ' O ' ' HG3' ' B' ' 89' ' ' GLU . 1.4 tm0? -58.67 -48.68 80.25 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.385 -177.832 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 45.0 mtm180 -61.83 -52.28 64.81 Favored 'General case' 0 C--N 1.333 -0.139 0 C-N-CA 121.206 -0.198 . . . . 0.0 111.426 -177.462 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 8.8 mp -61.68 -41.32 97.4 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.737 0.303 . . . . 0.0 111.278 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.483 ' O ' ' HB2' ' B' ' 92' ' ' ARG . 27.5 t80 -52.08 -42.76 63.46 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.731 178.507 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 89' ' ' GLU . . . . . 0.419 ' HG3' ' O ' ' B' ' 85' ' ' GLN . 37.2 mt-10 -80.37 -37.07 33.07 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.81 0.338 . . . . 0.0 110.777 179.203 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -65.97 -41.43 91.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.165 -175.646 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -99.29 14.52 29.28 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.016 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 92' ' ' ARG . . . . . 0.763 ' HA ' HG22 ' B' ' 97' ' ' VAL . 44.3 ttt180 -69.89 -27.36 64.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.956 0.408 . . . . 0.0 111.425 -177.281 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -86.78 13.31 9.04 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.096 0.474 . . . . 0.0 111.064 -177.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 78.8 p -104.63 -177.08 3.26 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 177.229 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -67.21 -41.47 85.73 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.809 0.338 . . . . 0.0 111.458 -176.425 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -140.24 117.01 10.94 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.672 -177.041 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 97' ' ' VAL . . . . . 0.763 HG22 ' HA ' ' B' ' 92' ' ' ARG . 46.0 t -70.43 -54.11 19.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.941 0.4 . . . . 0.0 111.141 -178.567 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 98' ' ' LEU . . . . . 0.428 ' HG ' HG21 ' B' ' 114' ' ' ILE . 7.8 mp -59.07 -39.77 83.12 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.288 -173.436 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -56.61 -39.31 85.3 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.918 -0.658 . . . . 0.0 111.552 178.386 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 65.0 m80 -80.92 -27.28 36.22 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.747 0.308 . . . . 0.0 110.331 -178.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 101' ' ' ILE . . . . . 0.442 ' O ' HG22 ' B' ' 105' ' ' ILE . 53.6 mt -60.48 -61.42 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.525 176.854 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 2.2 ptp -65.01 -27.44 68.82 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -175.558 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -72.46 -41.06 66.51 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 121.101 -0.24 . . . . 0.0 111.368 178.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -94.96 -13.91 24.9 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 -171.23 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 105' ' ' ILE . . . . . 0.534 HG12 HH21 ' B' ' 109' ' ' ARG . 10.6 tp -90.21 147.74 5.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 C-N-CA 119.933 -0.707 . . . . 0.0 110.958 -177.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 5.2 t -67.91 -21.86 65.11 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 114.64 -1.163 . . . . 0.0 112.147 -174.6 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 107' ' ' ALA . . . . . 0.499 ' O ' HG23 ' B' ' 105' ' ' ILE . . . -101.37 127.44 48.0 Favored 'General case' 0 CA--C 1.514 -0.413 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 177.118 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 108' ' ' LYS . . . . . 0.41 ' HA ' ' HE2' ' B' ' 108' ' ' LYS . 10.6 mmpt? -74.44 101.88 4.27 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 178.066 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 109' ' ' ARG . . . . . 0.534 HH21 HG12 ' B' ' 105' ' ' ILE . 41.8 mtm105 -116.38 121.31 41.53 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.591 -175.297 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 110' ' ' SER . . . . . 0.475 ' O ' HG13 ' B' ' 114' ' ' ILE . 23.8 t -70.63 156.09 39.9 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.549 -176.163 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 31.5 mmm-85 -55.22 -47.64 75.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 114.937 -1.029 . . . . 0.0 111.398 -173.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -61.33 -35.84 78.5 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.068 -174.432 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 113' ' ' ARG . . . . . 0.409 ' CZ ' ' HB3' ' B' ' 110' ' ' SER . 0.0 OUTLIER -82.58 -25.16 33.52 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.691 -177.684 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 114' ' ' ILE . . . . . 0.475 HG13 ' O ' ' B' ' 110' ' ' SER . 61.4 mt -71.41 -44.71 71.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 176.053 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 115' ' ' VAL . . . . . 0.413 HG22 ' CD1' ' B' ' 130' ' ' LEU . 33.2 t -55.8 -53.65 35.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.215 177.713 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -59.45 -38.8 81.69 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.469 -176.757 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 117' ' ' LYS . . . . . 0.514 ' HD3' HD13 ' B' ' 121' ' ' LEU . 5.8 tmtm? -72.78 -31.65 65.02 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.758 -176.04 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 118' ' ' LEU . . . . . 0.469 HD12 HD22 ' B' ' 130' ' ' LEU . 13.3 mt -61.59 -52.23 65.27 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 121.227 0.537 . . . . 0.0 110.358 173.24 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 119' ' ' LEU . . . . . 0.402 HD23 ' O ' ' B' ' 115' ' ' VAL . 4.6 mm? -57.49 -34.91 69.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.833 -1.076 . . . . 0.0 110.585 -179.123 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -70.0 -41.71 73.99 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.223 -0.899 . . . . 0.0 111.171 -178.312 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 121' ' ' LEU . . . . . 0.514 HD13 ' HD3' ' B' ' 117' ' ' LYS . 7.8 mp -69.68 -25.22 63.78 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.956 175.094 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 79.71 30.44 43.98 Favored Glycine 0 N--CA 1.44 -1.092 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 -171.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 123' ' ' LEU . . . . . 0.462 HD12 HD22 ' B' ' 118' ' ' LEU . 33.6 mt -74.37 -24.97 59.23 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-O 121.613 0.72 . . . . 0.0 109.099 178.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 124' ' ' VAL . . . . . 0.449 HG21 HD21 ' B' ' 130' ' ' LEU . 18.6 m -141.0 172.58 10.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 114.52 -1.218 . . . . 0.0 109.942 177.02 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -116.95 -6.86 11.43 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.259 178.205 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -161.97 162.87 29.16 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.319 -0.855 . . . . 0.0 109.358 -175.039 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 127' ' ' ARG . . . . . 0.792 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 82.4 mtt180 -77.92 -19.96 53.71 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.269 0.557 . . . . 0.0 110.803 -179.416 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 128' ' ' ARG . . . . . . . . . . . . . 32.6 ttp180 -58.47 -35.74 72.64 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.069 176.326 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -75.01 -7.09 52.68 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.933 -0.576 . . . . 0.0 112.469 -174.703 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 130' ' ' LEU . . . . . 0.792 ' HG ' ' O ' ' B' ' 127' ' ' ARG . 0.2 OUTLIER -87.38 2.77 49.4 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.733 0.777 . . . . 0.0 109.134 179.38 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 131' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 . . . . . 0 C--N 1.325 -0.488 0 CA-C-N 114.597 -1.183 . . . . 0.0 108.04 179.533 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 77.6 m95 . . . . . 0 CA--C 1.52 -0.204 0 CA-C-O 120.834 0.35 . . . . 0.0 110.681 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 15.3 t -71.11 148.22 94.04 Favored Pre-proline 0 C--N 1.321 -0.642 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 173.707 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_exo -43.94 -49.0 8.72 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 123.156 2.57 . . . . 0.0 113.375 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -57.92 -38.19 75.44 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.881 0.372 . . . . 0.0 110.875 178.121 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.417 ' CD ' HG21 ' B' ' 42' ' ' THR . 3.8 tp10 -72.05 -35.01 69.19 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.289 -177.381 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -64.28 -44.34 92.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.161 0.505 . . . . 0.0 109.744 174.643 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' ALA . . . . . 0.523 ' O ' ' HB2' ' B' ' 19' ' ' GLU . . . -67.06 -29.54 69.35 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.582 177.863 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.48 ' CE1' ' HB3' ' B' ' 40' ' ' LEU . 19.8 t-160 -74.35 -31.94 62.61 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.583 176.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.521 HD11 HG23 ' B' ' 50' ' ' ILE . 24.4 tp -66.86 -41.77 86.79 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 179.187 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 18' ' ' ARG . . . . . 0.831 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 15.3 ptm180 -77.4 -32.37 54.75 Favored 'General case' 0 N--CA 1.443 -0.794 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 176.135 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 19' ' ' GLU . . . . . 0.523 ' HB2' ' O ' ' B' ' 15' ' ' ALA . 6.8 tp10 -51.57 -56.89 10.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.615 0.722 . . . . 0.0 110.509 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.98 -31.44 71.15 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.823 -178.529 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 21' ' ' TYR . . . . . 0.463 ' O ' ' HB3' ' B' ' 25' ' ' LYS . 92.2 t80 -68.27 -46.86 69.26 Favored 'General case' 0 CA--C 1.513 -0.45 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 -179.538 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.831 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 62.1 mt -59.25 -24.64 63.36 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.715 -179.405 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.92 -31.25 35.16 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 -178.7 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 -127.81 17.85 6.78 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -174.685 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.529 ' HD3' ' HA ' ' B' ' 22' ' ' LEU . 18.6 pttm -72.22 -35.02 68.77 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -172.285 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -103.49 14.6 30.95 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.86 0.362 . . . . 0.0 111.457 -174.668 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 45.7 t -87.81 106.43 16.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 173.478 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -93.16 148.09 22.32 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.162 -175.597 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 92.84 -8.96 76.19 Favored Glycine 0 N--CA 1.45 -0.424 0 N-CA-C 110.741 -0.944 . . . . 0.0 110.741 -174.782 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -115.45 149.2 38.43 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.012 -0.594 . . . . 0.0 110.477 178.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -69.45 106.47 2.97 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.032 171.675 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' VAL . . . . . 0.667 ' O ' HG12 ' B' ' 36' ' ' ILE . 7.6 p -68.0 -42.92 85.79 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 C-N-CA 119.975 -0.69 . . . . 0.0 109.749 178.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 33' ' ' VAL . . . . . 0.735 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 11.7 p -67.21 -40.61 85.42 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.492 0 C-N-CA 120.989 -0.284 . . . . 0.0 110.536 -174.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -69.9 -32.44 70.75 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 -178.632 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.47 -41.82 90.61 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.141 0.496 . . . . 0.0 109.954 173.339 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.667 HG12 ' O ' ' B' ' 32' ' ' VAL . 6.8 mm -72.06 -64.79 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.403 -177.678 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.735 ' HG ' ' O ' ' B' ' 33' ' ' VAL . 2.9 pp -63.57 -25.58 68.3 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 -170.083 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 38' ' ' ALA . . . . . 0.522 ' N ' HD12 ' B' ' 37' ' ' LEU . . . -82.74 -38.75 22.84 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -178.498 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 52.4 m80 -75.35 -29.48 59.93 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.191 -0.603 . . . . 0.0 110.849 -176.627 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.577 ' HG ' ' O ' ' B' ' 36' ' ' ILE . 0.8 OUTLIER -98.65 80.24 2.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.932 0.873 . . . . 0.0 110.492 172.487 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -82.2 38.52 0.54 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.753 0.787 . . . . 0.0 109.956 179.175 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 42' ' ' THR . . . . . 0.433 HG22 ' HB2' ' B' ' 40' ' ' LEU . 4.5 t -94.32 -21.44 18.99 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 114.595 -1.184 . . . . 0.0 109.702 -179.09 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 4.8 m -128.04 113.33 20.22 Favored Pre-proline 0 N--CA 1.451 -0.378 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.271 -179.312 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -77.92 89.5 1.33 Allowed 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 122.138 1.892 . . . . 0.0 111.026 175.245 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 79.4 mtt-85 -133.02 176.97 8.02 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.473 -173.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 46' ' ' THR . . . . . 0.584 ' OG1' ' HG2' ' B' ' 49' ' ' GLN . 43.2 p -78.7 169.01 18.9 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.013 177.524 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 47' ' ' ARG . . . . . 0.433 ' O ' HG13 ' B' ' 51' ' ' ILE . 6.0 mmt180 -72.72 -23.99 60.92 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 179.177 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -68.63 -38.39 80.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 114.98 -1.009 . . . . 0.0 111.485 -178.323 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.584 ' HG2' ' OG1' ' B' ' 46' ' ' THR . 13.9 mm100 -62.54 -46.42 88.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.863 -173.773 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.521 HG23 HD11 ' B' ' 17' ' ' LEU . 2.4 mp -63.32 -48.53 86.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 121.101 -0.24 . . . . 0.0 110.648 179.678 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.433 HG13 ' O ' ' B' ' 47' ' ' ARG . 70.1 mt -51.85 -46.96 40.95 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-O 121.599 0.714 . . . . 0.0 110.433 178.389 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -65.44 -49.38 69.37 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.899 -1.046 . . . . 0.0 113.038 -172.379 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 53' ' ' HIS . . . . . 0.428 ' O ' ' HB2' ' B' ' 57' ' ' MET . 70.6 m-70 -61.65 -27.93 69.02 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 118.414 0.552 . . . . 0.0 111.625 -177.361 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 54' ' ' LEU . . . . . 0.475 HD22 HD11 ' B' ' 59' ' ' LEU . 65.1 mt -81.87 -45.44 15.49 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.271 -174.465 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 55' ' ' VAL . . . . . 0.516 ' HA ' ' HB3' ' B' ' 60' ' ' ALA . 9.8 m -72.14 -25.64 23.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.189 0.519 . . . . 0.0 110.287 178.495 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -80.69 -18.48 47.79 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.122 177.289 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.428 ' HB2' ' O ' ' B' ' 53' ' ' HIS . 31.3 ttm -82.97 -8.1 59.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.058 0.456 . . . . 0.0 110.25 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 85.79 -1.6 87.99 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.616 177.465 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.475 HD11 HD22 ' B' ' 54' ' ' LEU . 3.9 pp -86.04 -22.97 26.95 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.147 0.499 . . . . 0.0 110.599 -179.509 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 60' ' ' ALA . . . . . 0.516 ' HB3' ' HA ' ' B' ' 55' ' ' VAL . . . -112.69 163.14 14.91 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.097 175.832 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -71.89 -66.39 0.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.153 0.501 . . . . 0.0 110.655 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 62' ' ' SER . . . . . 0.456 ' OG ' ' HE3' ' B' ' 64' ' ' LYS . 73.5 p -164.29 177.91 7.93 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.793 -175.684 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 2.5 t -57.02 -36.8 52.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.841 -178.045 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 64' ' ' LYS . . . . . 0.456 ' HE3' ' OG ' ' B' ' 62' ' ' SER . 0.0 OUTLIER -64.83 -17.58 64.37 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.168 -174.774 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -73.86 -32.36 63.6 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.112 0.482 . . . . 0.0 110.172 179.344 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 66' ' ' PHE . . . . . 0.425 ' HD2' ' HB ' ' B' ' 33' ' ' VAL . 1.1 m-85 . . . . . 0 CA--C 1.515 -0.385 0 CA-C-O 121.761 0.791 . . . . 0.0 109.092 176.714 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 74' ' ' VAL . . . . . 0.413 HG21 ' HD2' ' B' ' 109' ' ' ARG . 0.1 OUTLIER . . . . . 0 N--CA 1.438 -1.066 0 N-CA-C 107.476 -1.305 . . . . 0.0 107.476 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 3.8 pp -48.62 137.51 11.84 Favored 'General case' 0 N--CA 1.463 0.219 0 O-C-N 123.775 0.672 . . . . 0.0 111.84 -166.282 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 76' ' ' TRP . . . . . 0.499 ' CZ2' ' HG2' ' B' ' 117' ' ' LYS . 56.1 m95 -125.41 142.98 51.2 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.3 -0.863 . . . . 0.0 111.022 -178.104 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 77' ' ' THR . . . . . 0.532 ' O ' ' HG3' ' B' ' 81' ' ' GLU . 79.6 p -125.7 161.67 26.77 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 172.485 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -59.12 -33.86 76.78 Favored Glycine 0 C--O 1.235 0.2 0 C-N-CA 120.516 -0.85 . . . . 0.0 111.767 177.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -72.77 -29.79 63.59 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 120.864 0.364 . . . . 0.0 110.374 177.574 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -75.88 -34.92 60.02 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 178.347 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 81' ' ' GLU . . . . . 0.638 ' O ' ' HB2' ' B' ' 85' ' ' GLN . 46.1 mt-10 -60.33 -37.17 79.77 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.782 179.612 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 82' ' ' LEU . . . . . 0.502 ' O ' ' HG3' ' B' ' 86' ' ' ARG . 4.6 pp -83.8 -24.02 31.19 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.744 176.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -65.16 -57.21 9.13 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 179.467 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 84' ' ' LEU . . . . . 0.617 HD21 HG23 ' B' ' 114' ' ' ILE . 21.7 tp -69.36 -25.48 64.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.107 179.372 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 85' ' ' GLN . . . . . 0.638 ' HB2' ' O ' ' B' ' 81' ' ' GLU . 0.7 OUTLIER -60.04 -54.2 48.77 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.978 176.467 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 86' ' ' ARG . . . . . 0.502 ' HG3' ' O ' ' B' ' 82' ' ' LEU . 47.0 mtp180 -74.16 -39.33 63.33 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.846 -178.685 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 10.2 tp -53.94 -43.18 69.59 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.381 0.61 . . . . 0.0 109.653 176.413 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.66 ' O ' ' HG3' ' B' ' 92' ' ' ARG . 8.0 t80 -55.8 -58.41 7.96 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.037 -0.983 . . . . 0.0 111.615 175.07 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -58.28 -47.65 82.95 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.976 0.417 . . . . 0.0 111.116 -177.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -53.64 -37.83 63.5 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.152 -0.931 . . . . 0.0 112.334 -176.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 91' ' ' PHE . . . . . 0.465 ' HB2' HG23 ' B' ' 97' ' ' VAL . 68.1 m-85 -105.35 11.86 32.31 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.859 0.688 . . . . 0.0 112.859 -174.563 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 92' ' ' ARG . . . . . 0.66 ' HG3' ' O ' ' B' ' 88' ' ' PHE . 78.4 mtp180 -72.04 -12.07 61.05 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 122.041 0.924 . . . . 0.0 109.008 170.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -69.09 -16.03 63.58 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.109 -1.405 . . . . 0.0 110.105 175.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 13.2 t -105.03 167.96 9.37 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.892 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -67.09 -48.24 68.8 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.316 0.579 . . . . 0.0 111.002 -177.597 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 52.9 t0 -114.07 99.52 7.7 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 178.246 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 97' ' ' VAL . . . . . 0.472 ' O ' HG13 ' B' ' 101' ' ' ILE . 9.9 p -67.08 -39.38 83.13 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.59 -178.629 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 98' ' ' LEU . . . . . 0.582 ' HB2' ' NH1' ' B' ' 111' ' ' ARG . 4.7 mp -70.64 -29.93 66.42 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-O 120.706 0.289 . . . . 0.0 110.609 -175.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -60.53 -46.09 95.05 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.793 -0.718 . . . . 0.0 111.445 174.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 38.1 m-70 -72.85 -35.47 67.25 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 110.124 -0.325 . . . . 0.0 110.124 177.275 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 101' ' ' ILE . . . . . 0.518 HD12 ' HA ' ' B' ' 98' ' ' LEU . 32.2 mt -50.73 -59.46 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 O-C-N 123.429 0.456 . . . . 0.0 110.816 176.122 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 60.3 mtt -58.24 -40.25 81.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.953 -176.488 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -78.13 -26.19 47.77 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.347 -174.742 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -109.83 4.38 21.63 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 -173.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 105' ' ' ILE . . . . . 0.453 HG12 ' H ' ' B' ' 107' ' ' ALA . 15.9 tt -109.36 157.89 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.384 0.612 . . . . 0.0 111.074 177.684 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 6.8 t -77.09 -20.46 55.7 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.743 -1.117 . . . . 0.0 111.245 -178.11 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 107' ' ' ALA . . . . . 0.453 ' H ' HG12 ' B' ' 105' ' ' ILE . . . -98.77 128.16 44.92 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.902 0.382 . . . . 0.0 110.996 -175.711 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 108' ' ' LYS . . . . . 0.444 ' HA ' ' HE2' ' B' ' 108' ' ' LYS . 8.4 mmpt? -96.77 103.05 14.94 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 179.108 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 109' ' ' ARG . . . . . 0.413 ' HD2' HG21 ' B' ' 74' ' ' VAL . 9.9 ptm180 -137.95 -177.79 4.97 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.984 -175.152 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 22.7 p -97.05 164.26 12.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.893 -174.656 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 111' ' ' ARG . . . . . 0.582 ' NH1' ' HB2' ' B' ' 98' ' ' LEU . 11.7 mmt180 -63.85 -45.06 91.2 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.664 178.024 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 112' ' ' ALA . . . . . 0.467 ' O ' ' HB2' ' B' ' 116' ' ' ASP . . . -58.74 -29.84 67.04 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.888 -175.383 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 113' ' ' ARG . . . . . 0.481 ' NH2' ' HB3' ' B' ' 116' ' ' ASP . 0.0 OUTLIER -83.73 -30.73 26.48 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 -179.207 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 114' ' ' ILE . . . . . 0.617 HG23 HD21 ' B' ' 84' ' ' LEU . 93.6 mt -76.37 -47.22 30.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 C-N-CA 121.024 -0.27 . . . . 0.0 110.643 179.209 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 115' ' ' VAL . . . . . 0.578 ' O ' HD23 ' B' ' 119' ' ' LEU . 19.7 m -61.78 -36.16 72.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.057 0.456 . . . . 0.0 110.501 179.609 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 116' ' ' ASP . . . . . 0.481 ' HB3' ' NH2' ' B' ' 113' ' ' ARG . 28.4 t0 -71.03 -34.36 71.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.497 -178.183 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 117' ' ' LYS . . . . . 0.532 ' HE3' HD11 ' B' ' 121' ' ' LEU . 53.8 tptt -70.78 -38.38 73.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.303 -179.276 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 118' ' ' LEU . . . . . 0.509 HD22 HD12 ' B' ' 123' ' ' LEU . 22.1 mt -59.64 -47.39 85.78 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-O 120.78 0.324 . . . . 0.0 111.006 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 119' ' ' LEU . . . . . 0.578 HD23 ' O ' ' B' ' 115' ' ' VAL . 4.6 mm? -65.98 -28.42 68.88 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.894 -177.826 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -75.44 -34.67 61.0 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.432 -178.689 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 121' ' ' LEU . . . . . 0.532 HD11 ' HE3' ' B' ' 117' ' ' LYS . 9.2 mp -78.79 -25.24 44.28 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.642 172.262 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 76.24 35.23 43.72 Favored Glycine 0 N--CA 1.442 -0.938 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 -171.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 123' ' ' LEU . . . . . 0.509 HD12 HD22 ' B' ' 118' ' ' LEU . 42.3 mt -74.37 -21.98 59.41 Favored 'General case' 0 CA--C 1.513 -0.452 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 176.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 124' ' ' VAL . . . . . 0.703 HG21 HD21 ' B' ' 130' ' ' LEU . 15.5 m -146.06 178.54 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 113.952 -1.476 . . . . 0.0 108.714 174.674 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -116.81 -7.61 11.44 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.004 0.43 . . . . 0.0 110.752 179.268 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 126' ' ' GLU . . . . . 0.447 ' OE1' ' HD2' ' B' ' 128' ' ' ARG . 11.1 pt-20 -161.87 162.41 29.27 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.097 -176.288 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 127' ' ' ARG . . . . . 0.621 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 0.8 OUTLIER -78.73 -21.52 47.9 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.449 179.237 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 128' ' ' ARG . . . . . 0.447 ' HD2' ' OE1' ' B' ' 126' ' ' GLU . 36.1 mtt180 -60.71 -29.52 69.4 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.273 0.559 . . . . 0.0 110.726 -176.366 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -83.45 -7.41 59.56 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.417 -0.811 . . . . 0.0 111.773 -174.57 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 130' ' ' LEU . . . . . 0.703 HD21 HG21 ' B' ' 124' ' ' VAL . 0.2 OUTLIER -91.3 -11.77 37.05 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.009 0.433 . . . . 0.0 109.881 -179.51 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 131' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 . . . . . 0 C--N 1.329 -0.287 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 179.017 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 9' ' ' TRP . . . . . 0.482 ' CZ3' ' HG2' ' B' ' 13' ' ' GLU . 73.1 m95 . . . . . 0 N--CA 1.451 -0.391 0 CA-C-O 121.052 0.453 . . . . 0.0 111.661 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 74.8 p -90.35 157.44 44.86 Favored Pre-proline 0 C--N 1.318 -0.775 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 174.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_exo -56.65 -20.9 36.52 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.364 2.043 . . . . 0.0 111.771 176.634 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -83.17 -46.87 12.21 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.276 -179.565 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.482 ' HG2' ' CZ3' ' B' ' 9' ' ' TRP . 21.7 tt0 -65.18 -40.13 93.83 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.372 -178.853 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 14' ' ' GLU . . . . . 0.506 ' O ' ' HB2' ' B' ' 17' ' ' LEU . 46.5 mt-10 -67.29 -37.8 83.98 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.031 179.034 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.19 -36.15 83.12 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-O 121.039 0.447 . . . . 0.0 110.495 179.191 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.471 ' HA ' ' HB3' ' B' ' 19' ' ' GLU . 5.5 t-160 -63.22 -29.39 70.74 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.666 177.287 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.506 ' HB2' ' O ' ' B' ' 14' ' ' GLU . 72.8 mt -58.61 -61.09 2.86 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-O 120.9 0.381 . . . . 0.0 110.04 174.304 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 18' ' ' ARG . . . . . 0.707 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 13.8 ptm180 -65.84 -31.18 71.99 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.03 178.41 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 19' ' ' GLU . . . . . 0.471 ' HB3' ' HA ' ' B' ' 16' ' ' HIS . 12.6 tp10 -51.55 -57.49 8.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.835 0.826 . . . . 0.0 110.119 177.535 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.53 HD11 ' HB2' ' B' ' 39' ' ' HIS . 0.7 OUTLIER -72.61 -28.06 62.55 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.799 -1.091 . . . . 0.0 111.653 -177.889 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 44.7 t80 -73.37 -52.31 14.25 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.262 -177.156 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.707 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 55.6 mt -59.56 -26.9 65.76 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.555 -178.759 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.35 -56.8 4.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.726 176.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 -85.93 -8.83 57.74 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 -171.668 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 14.8 ptmm? -70.7 -13.65 62.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.123 0.487 . . . . 0.0 110.222 179.029 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -75.54 -15.69 60.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.303 0.573 . . . . 0.0 110.06 178.676 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 34.6 t -91.0 111.1 23.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.129 -179.206 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -84.48 128.25 34.48 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.881 -176.276 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.0 3.14 65.91 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.505 177.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -103.63 146.65 28.25 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.733 0.302 . . . . 0.0 110.98 179.04 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -64.67 94.49 0.12 Allowed 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.47 170.365 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' VAL . . . . . 0.418 ' O ' HG13 ' B' ' 36' ' ' ILE . 6.4 p -69.08 -31.17 49.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 176.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 33' ' ' VAL . . . . . 0.607 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 1.0 OUTLIER -55.45 -51.25 59.14 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.302 0 CA-C-N 114.74 -1.118 . . . . 0.0 110.116 178.814 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.443 ' N ' HG22 ' B' ' 33' ' ' VAL . 34.2 tt0 -71.54 -42.38 67.97 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.14 -174.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.55 -45.18 37.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.262 0.553 . . . . 0.0 111.006 178.174 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.475 HG22 HD11 ' B' ' 40' ' ' LEU . 58.1 mt -71.37 -63.58 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.18 -177.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.607 ' HG ' ' O ' ' B' ' 33' ' ' VAL . 3.7 pp -61.69 -19.79 62.75 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 -173.849 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -80.16 -41.22 25.76 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.49 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' HIS . . . . . 0.53 ' HB2' HD11 ' B' ' 20' ' ' LEU . 53.3 m80 -79.25 -21.51 46.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.112 0.482 . . . . 0.0 109.709 -178.566 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.475 HD11 HG22 ' B' ' 36' ' ' ILE . 58.5 mt -76.82 81.1 3.41 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.665 176.365 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 67.0 t30 -106.94 38.32 2.13 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.809 0.814 . . . . 0.0 109.249 177.552 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 9.1 t -103.97 -20.67 13.8 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.144 176.535 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 43' ' ' VAL . . . . . 0.475 HG21 ' NE ' ' B' ' 45' ' ' ARG . 7.4 p -141.32 128.67 11.83 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.99 -173.352 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -72.38 88.54 0.86 Allowed 'Trans proline' 0 N--CA 1.462 -0.363 0 C-N-CA 122.186 1.924 . . . . 0.0 111.784 175.121 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 45' ' ' ARG . . . . . 0.475 ' NE ' HG21 ' B' ' 43' ' ' VAL . 35.8 mmt180 -109.28 171.02 7.68 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.186 179.707 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 26.8 p -98.29 165.77 11.71 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 165.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 47' ' ' ARG . . . . . 0.522 ' HG3' HD22 ' B' ' 37' ' ' LEU . 0.1 OUTLIER -62.69 -35.51 79.94 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.009 0.433 . . . . 0.0 109.94 -178.539 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -52.64 -39.23 61.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.719 179.527 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -65.78 -49.55 67.94 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.744 -172.422 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 2.3 mp -60.42 -51.22 75.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 C-N-CA 121.146 -0.222 . . . . 0.0 111.214 -176.431 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.508 HG13 ' CD1' ' B' ' 66' ' ' PHE . 2.4 mp -55.73 -46.94 79.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-O 121.209 0.528 . . . . 0.0 110.579 178.714 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -63.73 -50.38 69.33 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.474 -0.785 . . . . 0.0 112.28 -175.343 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 53' ' ' HIS . . . . . 0.479 ' O ' ' HB2' ' B' ' 57' ' ' MET . 51.7 m-70 -61.88 -23.7 66.46 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -176.754 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 54' ' ' LEU . . . . . 0.414 HD22 HD11 ' B' ' 59' ' ' LEU . 30.1 mt -82.79 -50.33 8.78 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.975 -176.576 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 55' ' ' VAL . . . . . 0.533 ' HA ' ' HB3' ' B' ' 60' ' ' ALA . 6.9 m -70.93 -24.61 24.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.249 0.547 . . . . 0.0 110.168 -179.384 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -83.03 -17.18 44.24 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.987 176.227 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.479 ' HB2' ' O ' ' B' ' 53' ' ' HIS . 34.0 ttm -80.24 -8.99 59.71 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.137 0.494 . . . . 0.0 110.1 176.664 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 86.49 -2.59 87.41 Favored Glycine 0 N--CA 1.452 -0.247 0 CA-C-N 115.895 -0.593 . . . . 0.0 112.889 175.675 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.512 HD12 ' N ' ' B' ' 60' ' ' ALA . 3.2 pp -84.67 -24.41 29.02 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.633 0.254 . . . . 0.0 110.756 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 60' ' ' ALA . . . . . 0.533 ' HB3' ' HA ' ' B' ' 55' ' ' VAL . . . -108.69 157.22 18.74 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.743 176.567 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -62.32 -66.1 0.59 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.247 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 20.3 p -164.53 177.23 8.28 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.974 -176.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 2.1 t -53.03 -33.37 19.55 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.505 178.284 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 19.4 mtmm -71.18 -13.22 61.86 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.232 -0.894 . . . . 0.0 111.836 -172.435 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -77.3 -19.4 56.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.896 0.855 . . . . 0.0 109.455 178.388 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 66' ' ' PHE . . . . . 0.508 ' CD1' HG13 ' B' ' 51' ' ' ILE . 19.5 m-85 . . . . . 0 C--N 1.326 -0.452 0 CA-C-N 114.769 -1.105 . . . . 0.0 109.755 178.762 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 5.8 m . . . . . 0 N--CA 1.434 -1.236 0 N-CA-C 107.365 -1.346 . . . . 0.0 107.365 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -48.14 89.42 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 113.272 0.841 . . . . 0.0 113.272 -166.497 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 76' ' ' TRP . . . . . 0.57 ' HA ' HE21 ' B' ' 80' ' ' GLN . 81.9 m95 -84.1 108.11 16.84 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 121.537 0.684 . . . . 0.0 110.498 -178.076 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 42.6 p -115.84 177.63 4.61 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 114.908 -1.042 . . . . 0.0 108.754 176.643 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.43 -32.31 64.15 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.217 -0.992 . . . . 0.0 110.982 172.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 79' ' ' ASP . . . . . 0.515 ' O ' ' HG3' ' B' ' 83' ' ' GLU . 1.4 m-20 -62.08 -61.67 2.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.233 -0.483 . . . . 0.0 110.517 176.189 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 80' ' ' GLN . . . . . 0.57 HE21 ' HA ' ' B' ' 76' ' ' TRP . 7.8 tt0 -64.63 -28.16 69.43 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.686 -176.272 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -59.75 -48.4 81.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.589 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 82' ' ' LEU . . . . . 0.411 HD12 ' N ' ' B' ' 83' ' ' GLU . 4.6 pp -77.16 -26.36 52.94 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.837 179.736 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 83' ' ' GLU . . . . . 0.515 ' HG3' ' O ' ' B' ' 79' ' ' ASP . 55.5 mt-10 -61.31 -44.82 96.56 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 120.983 0.421 . . . . 0.0 109.962 175.649 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 84' ' ' LEU . . . . . 0.454 HD11 HG23 ' B' ' 114' ' ' ILE . 40.7 tp -64.61 -46.56 82.1 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.139 176.714 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -54.6 -51.3 65.75 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.201 -179.073 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 41.8 mtm105 -59.77 -52.11 66.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.237 -178.295 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 87' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' B' ' 83' ' ' GLU . 41.1 mt -63.09 -37.45 87.26 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.691 0.281 . . . . 0.0 111.262 -177.328 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.63 ' O ' ' HB2' ' B' ' 92' ' ' ARG . 34.9 t80 -53.2 -46.59 69.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.544 175.688 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -80.56 -31.84 36.78 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.295 -178.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -71.96 -33.97 68.61 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -174.247 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -113.18 15.72 19.34 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.819 0.342 . . . . 0.0 110.767 179.656 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 92' ' ' ARG . . . . . 0.63 ' HB2' ' O ' ' B' ' 88' ' ' PHE . 39.1 ttt180 -65.44 -22.63 66.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.776 -174.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -75.87 0.39 18.36 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.586 -179.298 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 9.5 t -105.15 147.16 28.27 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 176.764 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -59.84 -45.07 93.55 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.974 0.416 . . . . 0.0 111.625 -174.084 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -107.25 79.28 1.29 Allowed 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 175.431 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 97' ' ' VAL . . . . . 0.592 ' O ' HG13 ' B' ' 101' ' ' ILE . 2.3 p -64.14 -35.3 73.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.888 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 98' ' ' LEU . . . . . 0.582 ' O ' ' HG2' ' B' ' 102' ' ' MET . 5.5 mp -61.01 -38.51 86.3 Favored 'General case' 0 CA--C 1.517 -0.319 0 N-CA-C 111.518 0.192 . . . . 0.0 111.518 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -55.14 -40.55 74.98 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.963 -0.637 . . . . 0.0 111.887 177.2 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -78.46 -33.72 48.19 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 -179.022 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 101' ' ' ILE . . . . . 0.592 HG13 ' O ' ' B' ' 97' ' ' VAL . 65.4 mt -57.34 -64.03 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.676 177.123 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 102' ' ' MET . . . . . 0.582 ' HG2' ' O ' ' B' ' 98' ' ' LEU . 11.6 ptp -68.21 -15.22 63.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.744 -175.558 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -81.56 -48.93 11.15 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 121.119 -0.232 . . . . 0.0 110.995 178.348 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -94.29 -2.32 52.47 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 -169.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 105' ' ' ILE . . . . . 0.54 HG12 ' NH2' ' B' ' 109' ' ' ARG . 10.5 tp -91.54 156.8 2.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 C-N-CA 120.484 -0.487 . . . . 0.0 110.447 178.539 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 106' ' ' THR . . . . . 0.43 ' N ' HG13 ' B' ' 105' ' ' ILE . 13.7 t -65.82 -34.23 77.69 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.468 -0.787 . . . . 0.0 112.02 -175.417 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 107' ' ' ALA . . . . . 0.453 ' O ' HG23 ' B' ' 105' ' ' ILE . . . -97.98 126.53 43.44 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 178.838 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 108' ' ' LYS . . . . . 0.429 ' HE3' ' O ' ' B' ' 105' ' ' ILE . 0.1 OUTLIER -79.93 101.08 8.39 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 177.513 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 109' ' ' ARG . . . . . 0.54 ' NH2' HG12 ' B' ' 105' ' ' ILE . 35.5 mtt180 -100.66 164.14 12.01 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.653 -177.007 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 2.9 p -98.79 168.63 10.01 Favored 'General case' 0 C--N 1.311 -1.065 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.961 175.047 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 12.4 mmt85 -65.25 -42.87 92.85 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.865 -175.773 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.59 -27.38 66.24 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.432 179.541 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 113' ' ' ARG . . . . . 0.637 ' NE ' ' HA ' ' B' ' 113' ' ' ARG . 2.7 mmp_? -82.78 -32.78 27.58 Favored 'General case' 0 CA--C 1.509 -0.605 0 CA-C-O 120.978 0.418 . . . . 0.0 111.497 -179.041 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 114' ' ' ILE . . . . . 0.454 HG23 HD11 ' B' ' 84' ' ' LEU . 67.7 mt -83.03 -43.7 18.55 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.922 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.078 -177.522 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 115' ' ' VAL . . . . . 0.492 HG12 ' CD1' ' B' ' 130' ' ' LEU . 25.8 m -64.18 -39.73 86.54 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.194 0 CA-C-O 120.816 0.341 . . . . 0.0 110.628 -179.44 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -67.0 -43.61 82.49 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.636 -177.11 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 58.5 tptt -67.62 -31.77 72.03 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.25 0.548 . . . . 0.0 109.763 179.654 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 118' ' ' LEU . . . . . 0.533 HD21 ' CE1' ' B' ' 88' ' ' PHE . 3.6 tp -65.33 -40.73 94.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.612 178.861 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 119' ' ' LEU . . . . . 0.462 HD22 HG23 ' B' ' 124' ' ' VAL . 3.1 mt -67.66 -24.46 65.44 Favored 'General case' 0 N--CA 1.462 0.132 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.75 -45.26 29.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.346 -177.02 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 11.1 mp -63.37 -24.66 67.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.371 0.605 . . . . 0.0 109.519 171.655 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 68.78 34.24 77.33 Favored Glycine 0 N--CA 1.439 -1.118 0 CA-C-N 114.964 -1.016 . . . . 0.0 111.337 -176.057 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 123' ' ' LEU . . . . . 0.47 HD13 ' CD2' ' B' ' 88' ' ' PHE . 70.2 mt -68.75 -22.62 64.3 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 122.225 1.012 . . . . 0.0 108.326 171.765 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 124' ' ' VAL . . . . . 0.591 HG21 HD22 ' B' ' 130' ' ' LEU . 19.2 m -137.94 169.35 18.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 113.739 -1.573 . . . . 0.0 109.382 175.784 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -105.97 -6.15 19.04 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.436 178.512 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 126' ' ' GLU . . . . . 0.43 ' CD ' ' HB3' ' B' ' 128' ' ' ARG . 10.7 pt-20 -170.12 173.76 5.75 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 -174.747 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 127' ' ' ARG . . . . . 0.708 ' HA ' HD21 ' B' ' 130' ' ' LEU . 35.4 mtp180 -78.8 -21.83 47.2 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -177.574 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 128' ' ' ARG . . . . . 0.43 ' HB3' ' CD ' ' B' ' 126' ' ' GLU . 3.1 ttm-85 -65.1 -34.52 78.6 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 112.681 0.622 . . . . 0.0 112.681 -176.161 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -67.24 -35.21 79.09 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 111.779 0.288 . . . . 0.0 111.779 -174.137 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 130' ' ' LEU . . . . . 0.708 HD21 ' HA ' ' B' ' 127' ' ' ARG . 0.1 OUTLIER -82.16 15.35 2.41 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -173.235 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 131' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 . . . . . 0 C--N 1.324 -0.532 0 CA-C-O 121.195 0.521 . . . . 0.0 109.595 174.652 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 98.2 m95 . . . . . 0 N--CA 1.449 -0.511 0 CA-C-O 120.723 0.297 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 43.1 t -77.44 151.9 80.87 Favored Pre-proline 0 C--N 1.314 -0.936 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 166.631 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -49.42 -34.75 33.84 Favored 'Trans proline' 0 C--O 1.237 0.438 0 C-N-CA 122.273 1.982 . . . . 0.0 112.353 176.574 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -75.54 -23.84 56.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.904 178.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.548 ' OE2' HG21 ' B' ' 42' ' ' THR . 8.6 tp10 -72.83 -30.41 64.0 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -67.62 -38.29 83.71 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.443 174.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 15' ' ' ALA . . . . . 0.456 ' O ' ' HB2' ' B' ' 19' ' ' GLU . . . -69.44 -32.38 71.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.453 175.766 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.553 ' HA ' ' CB ' ' B' ' 19' ' ' GLU . 11.6 t-160 -76.36 -20.1 57.53 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.036 175.518 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -74.29 -47.17 36.51 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 18' ' ' ARG . . . . . 0.732 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 34.8 ptt180 -69.84 -29.84 67.19 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 172.663 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 19' ' ' GLU . . . . . 0.553 ' CB ' ' HA ' ' B' ' 16' ' ' HIS . 7.5 tp10 -54.08 -47.61 71.53 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.67 -177.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.427 HD23 ' ND2' ' B' ' 24' ' ' ASN . 0.3 OUTLIER -76.22 -30.08 57.82 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.536 -178.913 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -69.08 -51.46 38.53 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.003 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.732 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 49.9 mt -61.19 -31.49 71.25 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.908 -177.626 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.57 -23.73 49.93 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.085 -177.723 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 24' ' ' ASN . . . . . 0.427 ' ND2' HD23 ' B' ' 20' ' ' LEU . 35.7 m-80 -123.42 16.91 9.74 Favored 'General case' 0 N--CA 1.462 0.167 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -176.613 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -85.75 -13.64 47.71 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.93 0.395 . . . . 0.0 111.088 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -102.05 -2.02 30.44 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.649 -173.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 2.7 p -90.55 109.68 21.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.491 0.662 . . . . 0.0 110.154 176.015 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -89.24 149.24 23.18 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.58 -177.735 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.42 8.61 77.36 Favored Glycine 0 N--CA 1.451 -0.351 0 N-CA-C 110.742 -0.943 . . . . 0.0 110.742 -174.727 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -122.92 159.11 28.94 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.938 -0.631 . . . . 0.0 110.151 -177.831 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 31' ' ' ASP . . . . . 0.604 ' OD1' HG22 ' B' ' 33' ' ' VAL . 10.5 t70 -93.53 114.52 26.9 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 173.314 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 9.4 p -70.78 -34.16 55.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.733 0.301 . . . . 0.0 111.225 -173.275 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 33' ' ' VAL . . . . . 0.604 HG22 ' OD1' ' B' ' 31' ' ' ASP . 1.3 m -77.09 -36.55 24.87 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.541 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 -176.047 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -62.74 -28.33 69.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.796 176.335 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.86 -51.07 44.33 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.776 177.779 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 22.9 mt -67.68 -54.29 24.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.671 -178.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.706 HD23 HD13 ' B' ' 50' ' ' ILE . 34.6 mt -44.52 -42.6 7.32 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 123.897 0.748 . . . . 0.0 112.205 -178.85 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -89.27 -28.94 19.56 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 -169.165 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -86.8 -28.81 22.72 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 -168.527 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.501 ' HG ' HH22 ' B' ' 45' ' ' ARG . 1.3 pt? -119.72 97.28 5.55 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 122.025 0.917 . . . . 0.0 111.7 -177.02 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 49.3 m-80 -89.9 40.68 1.01 Allowed 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.547 -0.752 . . . . 0.0 110.496 -178.19 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 42' ' ' THR . . . . . 0.763 HG23 HG12 ' B' ' 43' ' ' VAL . 1.8 t -81.29 -28.83 34.48 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.092 -0.958 . . . . 0.0 112.503 -175.052 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 43' ' ' VAL . . . . . 0.763 HG12 HG23 ' B' ' 42' ' ' THR . 0.1 OUTLIER -142.02 145.2 35.1 Favored Pre-proline 0 C--N 1.323 -0.551 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 -178.672 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 44' ' ' PRO . . . . . 0.746 ' HD2' HG23 ' B' ' 43' ' ' VAL . 59.4 Cg_endo -67.48 105.2 1.02 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 C-N-CA 122.453 2.102 . . . . 0.0 112.554 -171.365 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 45' ' ' ARG . . . . . 0.686 ' CZ ' HG13 ' B' ' 43' ' ' VAL . 0.8 OUTLIER -103.57 135.1 45.78 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.724 0.773 . . . . 0.0 112.75 -171.418 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 25.4 p -90.48 171.49 9.38 Favored 'General case' 0 C--N 1.308 -1.209 0 N-CA-C 106.68 -1.6 . . . . 0.0 106.68 154.617 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 47' ' ' ARG . . . . . 0.569 ' HA ' HD21 ' B' ' 37' ' ' LEU . 1.3 mpp_? -58.59 -40.89 84.49 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.654 0.74 . . . . 0.0 109.656 175.683 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.416 ' HE2' ' HB3' ' B' ' 48' ' ' LYS . 22.3 ttpt -59.48 -33.54 71.44 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.578 -1.192 . . . . 0.0 112.398 178.6 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.527 HE22 HG22 ' B' ' 43' ' ' VAL . 0.0 OUTLIER -52.18 -61.93 1.95 Allowed 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -175.553 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.706 HD13 HD23 ' B' ' 37' ' ' LEU . 2.2 mp -65.2 -45.11 94.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.955 -178.072 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.792 HG21 HG13 ' B' ' 63' ' ' VAL . 90.6 mt -51.64 -49.18 35.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-O 121.196 0.522 . . . . 0.0 111.423 -178.286 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 1.9 m170 -61.45 -50.77 71.43 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.356 -0.838 . . . . 0.0 112.032 -176.121 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 53' ' ' HIS . . . . . 0.658 ' O ' ' HB2' ' B' ' 57' ' ' MET . 62.5 m-70 -66.93 -22.2 65.95 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.621 -0.432 . . . . 0.0 111.491 -174.458 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 54' ' ' LEU . . . . . 0.648 HD22 HD11 ' B' ' 59' ' ' LEU . 40.5 mt -75.99 -50.6 14.41 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.014 0.435 . . . . 0.0 110.24 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 19.2 m -69.56 -31.85 50.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.145 0.498 . . . . 0.0 110.226 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -74.22 -18.79 60.7 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.938 177.631 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.658 ' HB2' ' O ' ' B' ' 53' ' ' HIS . 16.3 ttm -85.51 -4.37 59.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.2 0.524 . . . . 0.0 110.158 -179.419 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 79.88 2.62 88.71 Favored Glycine 0 N--CA 1.453 -0.221 0 CA-C-N 115.79 -0.641 . . . . 0.0 112.793 176.649 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.648 HD11 HD22 ' B' ' 54' ' ' LEU . 4.2 pp -93.5 -16.49 24.42 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.902 0.382 . . . . 0.0 110.642 -179.344 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -121.64 160.62 24.05 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.717 176.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -74.36 -68.28 0.54 Allowed 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.273 0.471 . . . . 0.0 112.273 -177.029 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 22.0 m -157.15 162.88 39.37 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.039 0.447 . . . . 0.0 111.142 -173.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 63' ' ' VAL . . . . . 0.792 HG13 HG21 ' B' ' 51' ' ' ILE . 39.5 t -66.81 -20.61 27.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.73 175.53 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.05 -50.5 8.39 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.57 -1.195 . . . . 0.0 112.248 172.802 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -87.35 -6.59 58.42 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.907 -1.042 . . . . 0.0 111.567 -168.767 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 66' ' ' PHE . . . . . 0.571 ' CG ' HG23 ' B' ' 51' ' ' ILE . 10.8 m-85 . . . . . 0 C--N 1.325 -0.459 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.526 175.639 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 74' ' ' VAL . . . . . 0.578 ' O ' ' HD1' ' B' ' 76' ' ' TRP . 0.2 OUTLIER . . . . . 0 C--O 1.221 -0.421 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.614 ' O ' ' HG ' ' B' ' 75' ' ' LEU . 2.6 pt? -55.72 94.9 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 121.83 0.824 . . . . 0.0 110.81 179.474 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 76' ' ' TRP . . . . . 0.578 ' HD1' ' O ' ' B' ' 74' ' ' VAL . 12.1 m95 -81.3 110.29 16.61 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.166 -179.441 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 28.8 p -101.93 176.17 5.3 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.151 177.626 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -58.2 -41.54 94.85 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 121.255 -0.498 . . . . 0.0 112.847 -177.623 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 79' ' ' ASP . . . . . 0.654 ' O ' ' HG3' ' B' ' 83' ' ' GLU . 8.0 p-10 -65.93 -47.03 76.07 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.599 -0.148 . . . . 0.0 110.599 179.214 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -62.56 -39.23 92.97 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 121.003 0.43 . . . . 0.0 111.05 -179.337 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -66.59 -39.39 88.38 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.777 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -66.56 -43.21 85.67 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.185 176.372 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 83' ' ' GLU . . . . . 0.654 ' HG3' ' O ' ' B' ' 79' ' ' ASP . 86.1 mt-10 -56.35 -60.4 3.57 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.364 0.602 . . . . 0.0 111.578 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 84' ' ' LEU . . . . . 0.497 ' O ' HD12 ' B' ' 84' ' ' LEU . 2.7 tp -77.84 -25.54 48.8 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.605 -168.274 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 85' ' ' GLN . . . . . 0.609 ' O ' ' HG3' ' B' ' 89' ' ' GLU . 28.8 tt0 -61.75 -45.16 95.12 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.036 177.506 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -77.11 -43.95 32.29 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.488 -178.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 6.8 tp -59.13 -41.81 89.13 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.141 -177.241 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -56.99 -49.9 74.34 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.785 176.087 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 89' ' ' GLU . . . . . 0.609 ' HG3' ' O ' ' B' ' 85' ' ' GLN . 51.7 mt-10 -58.03 -38.15 75.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.147 0.499 . . . . 0.0 111.206 -178.481 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -75.63 -39.86 57.16 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.471 -0.786 . . . . 0.0 112.058 -172.373 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -92.7 13.17 20.9 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 -173.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 92' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' B' ' 92' ' ' ARG . 18.4 mtm180 -68.69 -16.07 63.71 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 121.62 0.724 . . . . 0.0 109.472 174.22 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -69.97 -17.53 63.31 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.646 -1.161 . . . . 0.0 111.346 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 53.5 p -103.96 157.09 17.34 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 121.081 -0.248 . . . . 0.0 110.634 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -61.14 -30.99 70.72 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 -171.44 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -130.39 100.29 5.31 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.091 0.472 . . . . 0.0 109.951 176.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 97' ' ' VAL . . . . . 0.684 ' O ' HG12 ' B' ' 101' ' ' ILE . 9.7 p -65.77 -45.08 92.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.427 -175.371 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 98' ' ' LEU . . . . . 0.504 ' HB2' ' NH1' ' B' ' 111' ' ' ARG . 4.5 mp -69.33 -30.14 68.12 Favored 'General case' 0 CA--C 1.522 -0.131 0 CA-C-O 120.457 0.17 . . . . 0.0 111.248 -173.549 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 99' ' ' GLY . . . . . 0.514 ' O ' ' HG2' ' B' ' 103' ' ' LYS . . . -61.8 -43.22 99.52 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.459 -0.877 . . . . 0.0 111.113 175.689 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -73.29 -26.83 61.24 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.888 0.375 . . . . 0.0 110.004 178.747 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 101' ' ' ILE . . . . . 0.684 HG12 ' O ' ' B' ' 97' ' ' VAL . 37.4 mm -59.03 -62.1 1.16 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.26 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.578 175.524 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 56.3 mtt -56.52 -37.38 70.35 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.406 -174.459 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 103' ' ' LYS . . . . . 0.514 ' HG2' ' O ' ' B' ' 99' ' ' GLY . 75.2 mmtt -72.87 -36.83 67.47 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.213 -177.779 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -88.74 -27.6 21.07 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 -174.144 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 105' ' ' ILE . . . . . 0.508 HG22 ' O ' ' B' ' 101' ' ' ILE . 11.2 tp -91.68 157.33 2.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.617 0.722 . . . . 0.0 111.32 -176.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 106' ' ' THR . . . . . 0.415 ' N ' HG13 ' B' ' 105' ' ' ILE . 12.1 t -74.2 -33.23 63.34 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 114.984 -1.007 . . . . 0.0 112.218 -174.41 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -99.96 129.88 46.08 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 122.196 -0.315 . . . . 0.0 111.085 -177.4 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.11 101.12 7.72 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.173 0.511 . . . . 0.0 109.7 175.539 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 58.2 mtt180 -110.25 121.02 44.3 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.536 -177.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 1.2 m -60.01 157.29 13.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 123.668 0.605 . . . . 0.0 111.475 -175.449 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 111' ' ' ARG . . . . . 0.504 ' NH1' ' HB2' ' B' ' 98' ' ' LEU . 12.2 mmt180 -54.05 -46.97 72.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.542 -177.503 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.82 -24.37 67.72 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.481 -177.798 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 113' ' ' ARG . . . . . 0.45 ' HD3' HG12 ' B' ' 74' ' ' VAL . 39.8 mtt180 -75.96 -50.03 16.06 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 178.483 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 62.9 mt -60.28 -54.96 27.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.848 -178.54 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 115' ' ' VAL . . . . . 0.566 ' O ' HD23 ' B' ' 119' ' ' LEU . 19.0 m -64.39 -36.95 78.7 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.25 -174.253 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -67.55 -32.38 73.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.695 0.283 . . . . 0.0 110.695 179.437 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 23.9 tptp -79.99 -33.58 39.24 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.085 -179.283 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 1.7 mp -59.45 -48.44 81.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.048 0.452 . . . . 0.0 110.752 176.47 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 119' ' ' LEU . . . . . 0.566 HD23 ' O ' ' B' ' 115' ' ' VAL . 4.4 mm? -63.06 -33.11 74.73 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.601 178.327 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.14 -30.74 58.28 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.045 -177.81 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 98.5 mt -79.35 -24.33 42.79 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.317 0.579 . . . . 0.0 110.245 174.515 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 79.36 34.64 31.87 Favored Glycine 0 N--CA 1.442 -0.952 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 -174.83 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 66.6 mt -79.83 -26.91 40.31 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-O 121.52 0.676 . . . . 0.0 109.427 178.759 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 124' ' ' VAL . . . . . 0.543 HG21 ' CD2' ' B' ' 130' ' ' LEU . 30.4 m -140.42 162.31 24.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 114.476 -1.238 . . . . 0.0 109.582 176.734 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -95.98 -7.39 36.56 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.368 178.654 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -175.0 174.9 2.4 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.426 -174.615 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 127' ' ' ARG . . . . . 0.601 ' HA ' HD21 ' B' ' 130' ' ' LEU . 46.2 mtm180 -78.28 -26.41 47.07 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 -176.008 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 128' ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 -61.42 -27.86 68.85 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 120.888 0.375 . . . . 0.0 111.005 -176.051 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -68.5 -26.97 65.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.532 -175.458 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 130' ' ' LEU . . . . . 0.601 HD21 ' HA ' ' B' ' 127' ' ' ARG . 0.1 OUTLIER -100.16 16.29 24.64 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.493 -177.623 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 131' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 . . . . . 0 C--N 1.32 -0.703 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 174.151 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 9' ' ' TRP . . . . . 0.746 ' HZ2' ' NH1' ' B' ' 45' ' ' ARG . 96.4 m95 . . . . . 0 C--O 1.234 0.283 0 N-CA-C 113.196 0.813 . . . . 0.0 113.196 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 10' ' ' SER . . . . . 0.423 ' OG ' ' HB2' ' B' ' 13' ' ' GLU . 5.2 p -127.15 163.03 44.5 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 114.282 -1.326 . . . . 0.0 109.484 175.052 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -49.86 -55.11 4.44 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 122.898 2.398 . . . . 0.0 113.814 -175.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -62.62 -38.66 91.09 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.364 0.602 . . . . 0.0 110.057 -179.208 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.468 ' HG2' ' CZ3' ' B' ' 9' ' ' TRP . 35.0 tt0 -59.09 -44.41 91.92 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.035 -0.984 . . . . 0.0 111.614 -173.467 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -74.38 -25.39 59.46 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.764 0.316 . . . . 0.0 111.113 178.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.29 -39.66 74.75 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.376 0.608 . . . . 0.0 109.6 174.77 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.47 ' HA ' ' CB ' ' B' ' 19' ' ' GLU . 1.3 t60 -66.97 -26.16 66.68 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.166 -0.924 . . . . 0.0 110.237 174.525 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.661 HD11 HG23 ' B' ' 50' ' ' ILE . 37.4 tp -65.4 -48.81 71.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.411 0.624 . . . . 0.0 109.334 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 18' ' ' ARG . . . . . 0.795 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 37.5 ptt180 -75.48 -30.58 59.95 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 115.657 -0.702 . . . . 0.0 109.408 176.248 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 19' ' ' GLU . . . . . 0.47 ' CB ' ' HA ' ' B' ' 16' ' ' HIS . 10.3 tp10 -51.69 -53.48 38.66 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.853 0.835 . . . . 0.0 110.26 179.189 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.39 -31.0 69.1 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.825 -1.079 . . . . 0.0 111.342 -177.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 57.1 t80 -67.8 -49.69 60.94 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.173 179.052 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.795 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 53.3 mt -57.98 -25.16 60.67 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.386 -0.824 . . . . 0.0 111.183 -178.683 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.99 -52.39 7.89 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.973 0.416 . . . . 0.0 111.815 178.419 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -90.64 -4.19 56.98 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 113.01 0.745 . . . . 0.0 113.01 -169.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -62.91 -24.14 67.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.132 0.491 . . . . 0.0 110.65 178.785 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -75.03 -22.61 58.34 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.031 -177.573 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 17.5 t -78.98 107.39 11.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.22 -0.445 . . . . 0.0 109.866 -177.172 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -87.11 139.83 30.17 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.367 -177.179 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.29 -0.0 80.64 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.841 -0.695 . . . . 0.0 111.556 -178.263 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -108.31 145.36 34.54 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.139 0.495 . . . . 0.0 111.121 178.588 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -69.14 102.79 1.74 Allowed 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 167.46 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 32' ' ' VAL . . . . . 0.458 HG12 ' O ' ' B' ' 66' ' ' PHE . 7.9 p -70.47 -26.55 29.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.515 -176.818 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 33' ' ' VAL . . . . . 0.732 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 0.3 OUTLIER -63.7 -51.83 65.08 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.536 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 -179.402 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.645 ' HA ' HD11 ' B' ' 37' ' ' LEU . 37.6 mt-10 -60.1 -33.65 72.4 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.885 178.056 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.32 -45.85 83.82 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.425 0.631 . . . . 0.0 109.815 174.345 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.565 ' O ' ' HG ' ' B' ' 40' ' ' LEU . 35.6 mt -70.6 -64.16 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.216 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.732 ' HG ' ' O ' ' B' ' 33' ' ' VAL . 2.3 pp -65.39 -23.92 67.09 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 -169.601 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 38' ' ' ALA . . . . . 0.541 ' N ' HD12 ' B' ' 37' ' ' LEU . . . -89.17 -33.17 17.13 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -178.285 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 34.6 m80 -75.77 -29.68 58.87 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.44 -0.504 . . . . 0.0 110.942 -177.17 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.586 HD12 ' O ' ' B' ' 40' ' ' LEU . 2.0 pp -97.2 127.36 43.09 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 120.289 -0.564 . . . . 0.0 110.463 172.853 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 20.0 p-10 -109.54 37.03 2.74 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.833 0.825 . . . . 0.0 109.36 177.31 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 9.0 t -88.56 -33.72 17.62 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.963 -1.017 . . . . 0.0 110.827 -176.683 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 43' ' ' VAL . . . . . 0.451 ' HA ' ' HD3' ' B' ' 44' ' ' PRO . 14.5 p -143.36 134.29 12.48 Favored Pre-proline 0 N--CA 1.451 -0.395 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.915 -176.687 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 44' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' B' ' 43' ' ' VAL . 3.0 Cg_exo -75.94 121.51 6.26 Favored 'Trans proline' 0 CA--C 1.53 0.298 0 C-N-CA 122.716 2.277 . . . . 0.0 110.991 171.682 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 45' ' ' ARG . . . . . 0.845 ' CZ ' ' HB3' ' B' ' 49' ' ' GLN . 17.5 mmm-85 -134.13 177.69 7.55 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-O 121.843 0.83 . . . . 0.0 111.664 -177.527 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 46' ' ' THR . . . . . 0.404 ' OG1' ' HG2' ' B' ' 49' ' ' GLN . 5.9 p -103.77 159.19 15.84 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 113.66 -1.609 . . . . 0.0 107.74 168.588 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 47' ' ' ARG . . . . . 0.438 ' O ' HG13 ' B' ' 51' ' ' ILE . 7.6 mpt_? -55.36 -41.84 73.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.38 0.609 . . . . 0.0 109.458 176.127 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -56.98 -50.58 72.26 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.78 -1.1 . . . . 0.0 111.287 177.615 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.845 ' HB3' ' CZ ' ' B' ' 45' ' ' ARG . 13.2 mm-40 -57.03 -40.26 76.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.54 -0.755 . . . . 0.0 112.82 -176.406 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.719 HG13 HD23 ' B' ' 37' ' ' LEU . 11.4 mm -66.69 -52.05 49.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.245 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.55 HG12 ' CD2' ' B' ' 66' ' ' PHE . 67.5 mt -57.03 -41.97 78.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.116 -0.947 . . . . 0.0 109.48 -178.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -56.41 -54.86 40.61 Favored 'General case' 0 C--O 1.218 -0.568 0 CA-C-N 114.916 -1.038 . . . . 0.0 112.707 -176.554 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 53' ' ' HIS . . . . . 0.437 ' O ' ' HB2' ' B' ' 57' ' ' MET . 31.3 m-70 -58.65 -31.55 68.26 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 118.432 0.56 . . . . 0.0 111.824 -179.386 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 54' ' ' LEU . . . . . 0.438 ' HB3' HD11 ' B' ' 59' ' ' LEU . 40.5 mt -83.99 -46.5 11.99 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.565 -171.108 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 55' ' ' VAL . . . . . 0.446 HG22 ' O ' ' B' ' 51' ' ' ILE . 33.8 m -70.81 -24.65 25.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.222 0.534 . . . . 0.0 110.275 176.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -81.84 -18.55 43.52 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.069 177.463 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.437 ' HB2' ' O ' ' B' ' 53' ' ' HIS . 30.0 ttm -85.24 -2.58 58.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.049 0.452 . . . . 0.0 110.268 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 81.24 -2.65 80.83 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 121.049 -0.596 . . . . 0.0 112.79 176.573 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.438 HD11 ' HB3' ' B' ' 54' ' ' LEU . 4.1 pp -83.51 -17.55 41.52 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.282 0.563 . . . . 0.0 110.305 -179.664 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -133.02 155.91 48.33 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.241 -0.891 . . . . 0.0 109.457 174.484 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -85.62 -62.62 1.49 Allowed 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.341 -178.037 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 33.8 t -150.82 177.34 10.2 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.043 0.449 . . . . 0.0 111.314 -174.062 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 63' ' ' VAL . . . . . 0.495 HG22 HG21 ' B' ' 51' ' ' ILE . 89.7 t -55.76 -26.8 20.97 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.657 177.399 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 17.2 pttm -55.31 -37.38 67.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.759 178.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -80.6 -7.68 59.35 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.096 -0.956 . . . . 0.0 111.205 -176.384 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 66' ' ' PHE . . . . . 0.633 ' HD2' HG22 ' B' ' 33' ' ' VAL . 4.7 m-85 . . . . . 0 C--N 1.325 -0.49 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 -172.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 11.2 m . . . . . 0 N--CA 1.442 -0.846 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.11 95.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.339 0.59 . . . . 0.0 111.922 -175.271 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 76' ' ' TRP . . . . . 0.689 ' CE3' ' HG2' ' B' ' 80' ' ' GLN . 73.8 m95 -94.45 108.85 20.76 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.201 0.524 . . . . 0.0 110.366 179.772 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 46.8 p -103.34 176.03 5.28 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.432 174.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -60.03 -40.35 96.92 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.254 -0.974 . . . . 0.0 110.813 172.533 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -58.84 -59.37 5.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.066 -0.567 . . . . 0.0 110.916 176.45 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 80' ' ' GLN . . . . . 0.689 ' HG2' ' CE3' ' B' ' 76' ' ' TRP . 34.4 tt0 -57.77 -43.01 85.21 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.608 -175.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -67.61 -43.24 80.92 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.777 -177.132 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 21.3 tp -68.35 -38.07 81.1 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.912 177.482 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -61.73 -46.37 89.94 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.377 -177.093 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 84' ' ' LEU . . . . . 0.577 HD12 ' NH1' ' B' ' 109' ' ' ARG . 10.3 tt -67.29 -35.98 80.58 Favored 'General case' 0 C--O 1.224 -0.279 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 177.321 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 85' ' ' GLN . . . . . 0.44 ' HG2' HD21 ' B' ' 123' ' ' LEU . 1.0 OUTLIER -55.39 -52.42 63.61 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 123.343 0.402 . . . . 0.0 110.201 178.46 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 71.7 mtm180 -66.84 -36.68 82.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.486 -179.562 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 20.4 tp -70.55 -44.86 66.58 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.749 -177.648 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.67 ' O ' ' HB2' ' B' ' 92' ' ' ARG . 8.1 t80 -45.92 -47.12 16.36 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.756 175.187 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -64.72 -44.38 90.38 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.45 0.643 . . . . 0.0 111.25 -179.572 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -72.68 -42.56 64.14 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.135 -0.939 . . . . 0.0 112.297 -169.083 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -98.44 17.63 18.47 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.842 0.353 . . . . 0.0 111.306 -179.089 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 92' ' ' ARG . . . . . 0.67 ' HB2' ' O ' ' B' ' 88' ' ' PHE . 46.7 ttt180 -75.31 -11.69 60.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.652 -179.17 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -73.65 6.3 3.24 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.785 0.802 . . . . 0.0 110.519 177.29 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 4.8 m -103.07 160.97 14.16 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 178.769 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -65.85 -48.44 71.62 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.183 0.516 . . . . 0.0 109.833 -179.027 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -105.06 99.57 9.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.432 170.35 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 97' ' ' VAL . . . . . 0.484 ' O ' HG13 ' B' ' 101' ' ' ILE . 10.2 p -64.67 -39.69 86.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 C-N-CA 120.333 -0.547 . . . . 0.0 110.076 178.714 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 98' ' ' LEU . . . . . 0.762 ' O ' ' HG3' ' B' ' 102' ' ' MET . 3.2 mp -58.87 -41.14 86.36 Favored 'General case' 0 C--O 1.22 -0.462 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.279 179.709 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -53.37 -44.63 66.05 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 121.211 -0.519 . . . . 0.0 113.093 -178.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 64.8 m-70 -81.17 -25.0 37.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.859 0.362 . . . . 0.0 110.46 -179.593 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 101' ' ' ILE . . . . . 0.484 HG13 ' O ' ' B' ' 97' ' ' VAL . 57.2 mt -61.28 -56.82 15.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.979 172.001 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 102' ' ' MET . . . . . 0.762 ' HG3' ' O ' ' B' ' 98' ' ' LEU . 18.6 mtp -64.37 -27.67 69.17 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.167 0.508 . . . . 0.0 110.309 -175.156 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -75.38 -44.3 45.57 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.502 -176.342 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -105.07 0.47 27.57 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -169.695 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 105' ' ' ILE . . . . . 0.441 HG13 ' N ' ' B' ' 106' ' ' THR . 11.1 tp -91.48 158.83 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.265 0.555 . . . . 0.0 110.89 -177.738 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 106' ' ' THR . . . . . 0.441 ' N ' HG13 ' B' ' 105' ' ' ILE . 6.5 t -71.45 -36.74 71.33 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.243 -0.89 . . . . 0.0 111.822 -176.119 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 107' ' ' ALA . . . . . 0.622 ' HB3' ' NH2' ' B' ' 109' ' ' ARG . . . -98.52 127.56 44.5 Favored 'General case' 0 CA--C 1.509 -0.596 0 CA-C-O 120.811 0.338 . . . . 0.0 110.445 -178.555 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 10.6 mmmm -90.01 107.63 19.24 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 -178.621 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 109' ' ' ARG . . . . . 0.622 ' NH2' ' HB3' ' B' ' 107' ' ' ALA . 10.2 ptp85 -132.6 169.17 17.01 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.958 -173.46 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 110' ' ' SER . . . . . 0.426 ' O ' HG13 ' B' ' 114' ' ' ILE . 2.0 m -94.06 161.56 14.23 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.612 0.244 . . . . 0.0 111.096 -176.514 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 89.9 mtt180 -68.57 -43.78 75.84 Favored 'General case' 0 CA--C 1.513 -0.476 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -175.455 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -56.51 -30.34 62.9 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.649 0.738 . . . . 0.0 110.361 -179.433 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.68 -34.72 40.04 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.043 179.633 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 114' ' ' ILE . . . . . 0.55 HG23 HD11 ' B' ' 84' ' ' LEU . 98.8 mt -71.79 -43.62 69.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.566 178.398 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 115' ' ' VAL . . . . . 0.457 ' O ' HD23 ' B' ' 119' ' ' LEU . 25.5 t -52.9 -54.61 15.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.038 -0.983 . . . . 0.0 111.544 -179.641 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -58.95 -35.84 73.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.108 0.48 . . . . 0.0 110.63 178.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 117' ' ' LYS . . . . . 0.521 ' O ' HD13 ' B' ' 121' ' ' LEU . 14.8 tppt? -63.63 -36.33 83.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.926 -179.736 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 21.1 mt -64.63 -45.52 86.48 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 121.095 0.474 . . . . 0.0 110.424 176.49 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 119' ' ' LEU . . . . . 0.457 HD23 ' O ' ' B' ' 115' ' ' VAL . 4.4 mm? -62.87 -31.37 72.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.592 -179.137 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -74.2 -39.56 63.08 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.274 -0.875 . . . . 0.0 111.061 -178.456 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 121' ' ' LEU . . . . . 0.521 HD13 ' O ' ' B' ' 117' ' ' LYS . 9.8 mp -75.33 -25.83 58.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.108 0.48 . . . . 0.0 110.91 175.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 80.98 31.62 34.69 Favored Glycine 0 N--CA 1.444 -0.823 0 C-N-CA 120.728 -0.749 . . . . 0.0 111.455 -172.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 123' ' ' LEU . . . . . 0.441 ' HB3' ' CE1' ' B' ' 88' ' ' PHE . 69.3 mt -76.04 -24.21 55.17 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-O 121.849 0.833 . . . . 0.0 109.065 176.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 124' ' ' VAL . . . . . 0.544 HG21 HD21 ' B' ' 130' ' ' LEU . 34.1 m -137.63 174.84 10.5 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 114.219 -1.355 . . . . 0.0 109.397 175.859 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -114.31 -7.43 12.94 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.157 0.503 . . . . 0.0 110.632 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 126' ' ' GLU . . . . . 0.425 ' O ' HD21 ' B' ' 130' ' ' LEU . 13.8 pt-20 -171.15 174.53 4.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.376 -175.264 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 127' ' ' ARG . . . . . 0.68 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 12.0 mpt_? -77.84 -21.08 51.99 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.796 0.332 . . . . 0.0 111.522 -179.615 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 128' ' ' ARG . . . . . . . . . . . . . 6.0 ttm180 -58.48 -34.62 71.09 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.288 0.566 . . . . 0.0 111.053 -179.425 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -84.93 -5.79 59.34 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.393 -0.821 . . . . 0.0 112.632 -170.195 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 130' ' ' LEU . . . . . 0.68 ' HG ' ' O ' ' B' ' 127' ' ' ARG . 0.3 OUTLIER -82.81 -12.86 57.13 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.576 0.703 . . . . 0.0 109.585 -176.423 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 131' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 . . . . . 0 C--N 1.318 -0.804 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 -179.147 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 9' ' ' TRP . . . . . 0.452 ' CE3' ' HG2' ' B' ' 13' ' ' GLU . 90.6 m95 . . . . . 0 CA--C 1.518 -0.255 0 CA-C-O 121.239 0.542 . . . . 0.0 111.532 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 6.9 m -95.78 162.26 24.78 Favored Pre-proline 0 C--N 1.318 -0.778 0 CA-C-N 115.213 -0.903 . . . . 0.0 109.924 -177.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -44.21 -55.72 2.98 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 123.263 2.642 . . . . 0.0 114.024 -176.517 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -69.91 -29.27 66.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.088 0.471 . . . . 0.0 110.673 -177.159 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.452 ' HG2' ' CE3' ' B' ' 9' ' ' TRP . 15.2 tt0 -71.48 -42.53 67.97 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.341 -176.403 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 14' ' ' GLU . . . . . 0.421 ' CG ' ' HB3' ' B' ' 9' ' ' TRP . 45.7 mt-10 -66.46 -36.18 82.13 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.416 175.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 15' ' ' ALA . . . . . 0.519 ' O ' ' HG2' ' B' ' 18' ' ' ARG . . . -69.21 -42.83 75.21 Favored 'General case' 0 C--O 1.218 -0.554 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.527 178.31 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.421 ' HA ' ' HB3' ' B' ' 19' ' ' GLU . 13.5 t-160 -60.66 -29.51 69.33 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.385 175.459 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.553 HD11 HG23 ' B' ' 50' ' ' ILE . 20.0 tp -63.24 -50.67 69.3 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.183 177.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 18' ' ' ARG . . . . . 0.713 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 33.5 ptt180 -70.46 -35.45 73.33 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 175.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 19' ' ' GLU . . . . . 0.421 ' HB3' ' HA ' ' B' ' 16' ' ' HIS . 17.5 tp10 -48.65 -51.9 25.94 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.595 0.712 . . . . 0.0 110.731 -178.728 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.451 HD11 ' CB ' ' B' ' 39' ' ' HIS . 0.3 OUTLIER -69.07 -36.14 77.3 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.618 -1.174 . . . . 0.0 111.579 -177.58 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -68.21 -52.2 36.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.135 0.493 . . . . 0.0 110.095 -179.628 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.713 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 45.6 mt -59.02 -24.71 63.05 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.319 -176.037 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -84.05 -57.04 3.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.732 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 24' ' ' ASN . . . . . 0.446 ' ND2' HD23 ' B' ' 20' ' ' LEU . 35.3 m-80 -88.58 7.04 35.25 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -170.588 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -69.53 -18.94 63.71 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 111.75 0.278 . . . . 0.0 111.75 -178.331 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -95.37 4.77 53.04 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.736 0.303 . . . . 0.0 111.339 -175.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 37.7 t -88.26 119.12 35.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 179.452 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -92.92 138.08 31.8 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.894 -173.349 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.02 9.04 83.13 Favored Glycine 0 CA--C 1.509 -0.296 0 N-CA-C 111.355 -0.698 . . . . 0.0 111.355 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -118.8 149.73 41.0 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.21 -0.495 . . . . 0.0 110.341 -176.524 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -82.24 104.0 12.24 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 172.702 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 32' ' ' VAL . . . . . 0.542 ' O ' HG13 ' B' ' 36' ' ' ILE . 9.8 p -61.56 -32.19 52.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 178.514 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 33' ' ' VAL . . . . . 0.754 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 2.0 t -58.85 -57.25 12.06 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 CA-C-N 115.114 -0.948 . . . . 0.0 110.126 176.77 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.436 ' HA ' HD12 ' B' ' 37' ' ' LEU . 4.2 tm-20 -54.19 -40.28 67.43 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.769 -178.556 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.27 -50.43 73.63 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.28 178.267 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.542 HG13 ' O ' ' B' ' 32' ' ' VAL . 45.2 mt -65.8 -55.81 17.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.089 -178.774 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.754 ' HG ' ' O ' ' B' ' 33' ' ' VAL . 10.5 mt -49.59 -42.34 44.31 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 123.68 0.612 . . . . 0.0 111.326 -175.537 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.91 -35.49 16.47 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 -170.562 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 39' ' ' HIS . . . . . 0.451 ' CB ' HD11 ' B' ' 20' ' ' LEU . 51.0 m80 -78.12 -10.55 59.68 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.445 -0.502 . . . . 0.0 111.999 -173.177 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' B' ' 36' ' ' ILE . 0.7 OUTLIER -114.89 80.76 1.46 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.887 0.851 . . . . 0.0 110.967 170.548 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -82.33 39.4 0.59 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.785 0.802 . . . . 0.0 110.252 179.284 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 42' ' ' THR . . . . . 0.402 ' H ' ' C ' ' B' ' 40' ' ' LEU . 6.1 t -94.73 -10.87 30.31 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 114.821 -1.082 . . . . 0.0 109.143 176.815 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 12.7 m -136.43 125.09 15.3 Favored Pre-proline 0 N--CA 1.452 -0.332 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.27 -178.315 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -76.66 89.13 1.31 Allowed 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 122.347 2.032 . . . . 0.0 110.374 169.75 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 14.7 mtt85 -136.27 170.17 16.46 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.093 0.473 . . . . 0.0 111.812 -173.495 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 14.5 t -109.0 -173.36 2.25 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.162 -178.638 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 47' ' ' ARG . . . . . 0.404 ' HD2' HD13 ' B' ' 37' ' ' LEU . 17.7 mmt180 -61.9 -49.76 74.91 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.879 -174.197 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt -54.97 -38.87 68.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.036 -0.984 . . . . 0.0 112.064 -175.458 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.74 -62.35 1.8 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.894 -175.711 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.553 HG23 HD11 ' B' ' 17' ' ' LEU . 1.9 mp -59.8 -47.91 89.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.09 -176.309 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 94.6 mt -53.6 -51.91 38.44 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.401 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.477 -178.17 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -57.08 -44.04 82.73 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.915 -174.45 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 53' ' ' HIS . . . . . 0.576 ' O ' ' HB2' ' B' ' 57' ' ' MET . 40.9 m-70 -71.51 -22.82 61.73 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.994 -176.532 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 54' ' ' LEU . . . . . 0.504 HD22 HD11 ' B' ' 59' ' ' LEU . 77.7 mt -74.64 -48.52 25.84 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.179 0.514 . . . . 0.0 110.053 179.394 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 9.0 m -73.78 -26.06 21.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.221 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -79.76 -25.24 41.07 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.031 178.001 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.576 ' HB2' ' O ' ' B' ' 53' ' ' HIS . 27.9 ttm -79.59 -9.03 59.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.214 0.531 . . . . 0.0 110.405 -178.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 86.41 -0.34 86.99 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.715 177.015 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.504 HD11 HD22 ' B' ' 54' ' ' LEU . 4.5 pp -87.12 -19.88 27.88 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.297 0.57 . . . . 0.0 110.095 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -121.41 169.89 10.18 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.329 -0.85 . . . . 0.0 109.536 174.464 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -88.41 -66.2 0.94 Allowed 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.637 -0.425 . . . . 0.0 111.415 -177.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 10.7 t -160.56 174.2 14.39 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.174 0.512 . . . . 0.0 111.576 -174.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 79.4 t -62.52 -25.07 37.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.247 179.045 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -60.74 -25.69 66.64 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.786 -178.482 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -89.16 -8.19 54.16 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.786 -178.017 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.061 -176.048 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 74' ' ' VAL . . . . . 0.423 HG13 ' NE1' ' B' ' 76' ' ' TRP . 0.9 OUTLIER . . . . . 0 N--CA 1.446 -0.632 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.468 ' O ' HD12 ' B' ' 75' ' ' LEU . 0.4 OUTLIER -48.89 98.05 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.518 0.675 . . . . 0.0 112.805 -177.016 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 76' ' ' TRP . . . . . 0.423 ' NE1' HG13 ' B' ' 74' ' ' VAL . 87.1 m95 -102.2 109.71 21.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.411 176.723 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 77' ' ' THR . . . . . 0.415 ' OG1' ' HB2' ' B' ' 80' ' ' GLN . 60.8 p -109.97 -178.26 3.48 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.676 179.609 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -59.79 -40.05 96.16 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.043 177.214 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -80.88 -42.01 22.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.963 -0.118 . . . . 0.0 111.061 179.599 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 80' ' ' GLN . . . . . 0.415 ' HB2' ' OG1' ' B' ' 77' ' ' THR . 0.0 OUTLIER -59.59 -32.6 70.53 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.003 0.43 . . . . 0.0 109.874 179.422 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -64.98 -51.71 60.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.458 176.157 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 30.0 tp -60.73 -40.85 93.89 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.99 -178.572 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 83' ' ' GLU . . . . . 0.528 ' O ' ' HB2' ' B' ' 87' ' ' LEU . 5.6 mm-40 -59.07 -30.32 67.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.865 179.5 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 84' ' ' LEU . . . . . 0.452 HD23 ' NH1' ' B' ' 109' ' ' ARG . 3.0 tm? -73.67 -45.96 49.37 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.188 175.38 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -58.2 -55.91 28.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.249 -176.422 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 86' ' ' ARG . . . . . 0.485 ' O ' ' HB2' ' B' ' 90' ' ' GLU . 40.9 mtp180 -57.1 -48.08 79.48 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.362 0.601 . . . . 0.0 110.168 -178.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 87' ' ' LEU . . . . . 0.544 ' CD2' HG12 ' B' ' 101' ' ' ILE . 17.9 tp -51.68 -54.12 31.56 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.49 -1.232 . . . . 0.0 110.565 177.824 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.621 ' HA ' HG23 ' B' ' 97' ' ' VAL . 58.1 t80 -57.95 -67.31 0.35 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.164 -0.926 . . . . 0.0 112.818 179.671 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -61.14 -36.1 78.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.052 0.453 . . . . 0.0 112.207 -169.438 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 90' ' ' GLU . . . . . 0.485 ' HB2' ' O ' ' B' ' 86' ' ' ARG . 4.2 mm-40 -80.38 -19.9 45.28 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 -172.019 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -121.25 6.8 10.19 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -178.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 92' ' ' ARG . . . . . 0.601 ' HA ' ' CG1' ' B' ' 97' ' ' VAL . 5.0 ptm180 -76.03 -11.92 60.03 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -172.762 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -70.72 -27.09 63.71 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 121.413 0.625 . . . . 0.0 110.294 178.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 26.3 t -106.97 178.55 4.53 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.163 178.28 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -63.27 -23.7 67.54 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.586 0.708 . . . . 0.0 110.031 175.239 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 96' ' ' ASP . . . . . 0.644 ' HB3' ' CG ' ' B' ' 100' ' ' HIS . 3.1 m-20 -89.4 43.82 1.17 Allowed 'General case' 0 N--CA 1.442 -0.872 0 CA-C-N 115.43 -0.805 . . . . 0.0 112.592 -167.509 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 97' ' ' VAL . . . . . 0.734 ' O ' HG13 ' B' ' 101' ' ' ILE . 0.6 OUTLIER -88.54 -65.55 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 C-N-CA 119.453 -0.899 . . . . 0.0 109.884 157.414 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 5.0 tp -72.88 -48.98 32.73 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 114.733 -1.121 . . . . 0.0 110.701 -167.553 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 99' ' ' GLY . . . . . 0.61 ' O ' ' HE3' ' B' ' 103' ' ' LYS . . . -59.95 -43.03 98.5 Favored Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.818 -0.706 . . . . 0.0 111.953 175.864 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 100' ' ' HIS . . . . . 0.644 ' CG ' ' HB3' ' B' ' 96' ' ' ASP . 2.2 m170 -70.38 -17.6 63.04 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 122.704 -0.292 . . . . 0.0 111.455 -177.722 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 101' ' ' ILE . . . . . 0.776 ' O ' HG22 ' B' ' 105' ' ' ILE . 65.1 mt -61.51 -65.31 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.817 0.818 . . . . 0.0 108.853 170.013 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.31 -14.36 62.84 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 114.737 -1.12 . . . . 0.0 111.74 -174.062 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 103' ' ' LYS . . . . . 0.61 ' HE3' ' O ' ' B' ' 99' ' ' GLY . 0.0 OUTLIER -94.07 -51.36 4.88 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.627 175.059 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -113.6 -4.66 13.45 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 114.653 1.353 . . . . 0.0 114.653 -163.754 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 105' ' ' ILE . . . . . 0.776 HG22 ' O ' ' B' ' 101' ' ' ILE . 10.5 tp -91.53 157.34 2.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 C-N-CA 118.901 -1.119 . . . . 0.0 110.039 177.1 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 12.3 t -55.76 -29.65 59.94 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.238 -0.892 . . . . 0.0 112.149 -177.601 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -106.92 127.88 53.82 Favored 'General case' 0 CA--C 1.514 -0.422 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.852 -176.094 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 108' ' ' LYS . . . . . 0.417 ' HD2' ' N ' ' B' ' 108' ' ' LYS . 0.0 OUTLIER -86.22 100.9 12.57 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.641 0.734 . . . . 0.0 109.631 177.447 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 109' ' ' ARG . . . . . 0.452 ' NH1' HD23 ' B' ' 84' ' ' LEU . 43.4 mtt180 -111.07 155.44 22.79 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 114.829 -1.078 . . . . 0.0 109.559 -176.058 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 110' ' ' SER . . . . . 0.518 ' O ' ' HG2' ' B' ' 113' ' ' ARG . 19.8 m -96.82 164.42 12.57 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 177.534 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 111' ' ' ARG . . . . . 0.459 ' O ' HG23 ' B' ' 115' ' ' VAL . 12.8 mmt85 -56.51 -53.06 61.93 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 -172.036 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -55.64 -42.67 75.33 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.662 0.615 . . . . 0.0 112.662 -173.584 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 113' ' ' ARG . . . . . 0.518 ' HG2' ' O ' ' B' ' 110' ' ' SER . 9.3 ptp180 -74.35 -27.32 60.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.824 0.345 . . . . 0.0 110.864 -175.132 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 91.4 mt -74.09 -48.06 39.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.5 0.666 . . . . 0.0 109.552 176.498 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 115' ' ' VAL . . . . . 0.544 ' O ' HD23 ' B' ' 119' ' ' LEU . 79.0 t -57.58 -49.5 80.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 114.662 -1.154 . . . . 0.0 110.863 179.213 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -57.34 -33.24 67.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.056 179.172 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 117' ' ' LYS . . . . . 0.414 ' O ' HD13 ' B' ' 121' ' ' LEU . 1.0 OUTLIER -73.93 -36.5 64.69 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.879 -177.444 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 118' ' ' LEU . . . . . 0.451 ' CD2' HD11 ' B' ' 84' ' ' LEU . 25.7 mt -62.13 -42.08 98.89 Favored 'General case' 0 CA--C 1.512 -0.481 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.288 176.68 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 119' ' ' LEU . . . . . 0.544 HD23 ' O ' ' B' ' 115' ' ' VAL . 4.5 mm? -66.54 -23.95 66.3 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.402 -179.695 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -83.81 -44.79 13.99 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.603 -178.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 121' ' ' LEU . . . . . 0.414 HD13 ' O ' ' B' ' 117' ' ' LYS . 10.2 mp -69.58 -24.54 63.7 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-O 121.378 0.609 . . . . 0.0 110.171 173.596 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 74.44 35.34 52.33 Favored Glycine 0 N--CA 1.439 -1.104 0 CA-C-N 115.125 -0.943 . . . . 0.0 111.603 -174.324 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 123' ' ' LEU . . . . . 0.604 ' HB3' ' CE2' ' B' ' 88' ' ' PHE . 57.8 mt -77.03 -23.33 52.13 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 121.794 0.807 . . . . 0.0 108.865 176.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 124' ' ' VAL . . . . . 0.496 HG21 ' CD2' ' B' ' 130' ' ' LEU . 35.5 m -136.83 166.02 26.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 114.389 -1.278 . . . . 0.0 109.276 173.341 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -108.44 -7.18 15.87 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-O 121.378 0.609 . . . . 0.0 109.75 177.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -166.03 175.68 8.33 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.645 -175.608 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 127' ' ' ARG . . . . . 0.64 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 0.2 OUTLIER -78.87 -25.68 43.96 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -176.289 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 128' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -53.05 -37.11 61.31 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -71.78 -12.72 61.44 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -172.534 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 130' ' ' LEU . . . . . 0.64 ' HG ' ' O ' ' B' ' 127' ' ' ARG . 0.1 OUTLIER -111.21 16.07 21.18 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.783 0.325 . . . . 0.0 111.332 -177.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 131' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 . . . . . 0 C--N 1.323 -0.547 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 177.893 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 9' ' ' TRP . . . . . 0.424 ' HE1' ' NE ' ' B' ' 45' ' ' ARG . 81.4 m95 . . . . . 0 N--CA 1.454 -0.241 0 CA-C-O 121.28 0.562 . . . . 0.0 111.256 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 21.1 p -123.34 154.71 65.75 Favored Pre-proline 0 C--N 1.318 -0.781 0 CA-C-N 115.245 -0.888 . . . . 0.0 108.828 175.712 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_exo -46.77 -34.87 16.59 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.935 2.423 . . . . 0.0 113.029 179.009 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -63.37 -55.11 27.1 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.049 0.452 . . . . 0.0 110.786 175.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.4 ' CD ' HG21 ' B' ' 42' ' ' THR . 4.7 tp10 -68.77 -31.05 69.8 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.628 -174.285 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -71.61 -34.18 69.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.849 0.357 . . . . 0.0 110.58 177.647 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.23 -32.07 71.05 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.49 0.662 . . . . 0.0 109.927 174.044 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.532 ' HA ' ' HB3' ' B' ' 19' ' ' GLU . 19.0 t-160 -72.63 -25.72 61.4 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.112 -0.949 . . . . 0.0 110.105 175.07 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.512 HD11 HG23 ' B' ' 50' ' ' ILE . 28.4 tp -68.63 -49.64 57.59 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.671 177.291 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 18' ' ' ARG . . . . . 0.753 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 13.3 ptm180 -68.32 -32.63 72.88 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 173.694 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 19' ' ' GLU . . . . . 0.532 ' HB3' ' HA ' ' B' ' 16' ' ' HIS . 14.3 tp10 -49.97 -47.32 52.75 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-O 121.433 0.635 . . . . 0.0 110.254 175.569 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.439 HD11 ' HB2' ' B' ' 39' ' ' HIS . 0.2 OUTLIER -65.05 -43.14 93.28 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.436 179.825 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 91.1 t80 -70.24 -46.86 63.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.753 -174.455 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.753 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 48.0 mt -64.06 -25.67 68.21 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.105 -176.51 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.48 -44.35 14.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.822 0.344 . . . . 0.0 111.538 178.665 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 24' ' ' ASN . . . . . 0.52 ' O ' HG12 ' B' ' 27' ' ' VAL . 35.4 m-80 -92.72 7.51 43.25 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -173.002 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 14.8 ptmm? -84.86 -12.82 52.71 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.442 0.639 . . . . 0.0 109.463 172.201 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -81.25 -20.46 40.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.641 -178.568 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 27' ' ' VAL . . . . . 0.52 HG12 ' O ' ' B' ' 24' ' ' ASN . 12.9 p -89.4 138.73 18.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.275 -176.333 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -114.5 140.53 48.66 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.77 179.339 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.41 6.71 65.96 Favored Glycine 0 N--CA 1.449 -0.479 0 N-CA-C 111.315 -0.714 . . . . 0.0 111.315 -177.507 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -127.21 148.75 50.19 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.249 0.547 . . . . 0.0 111.053 -178.131 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -68.94 112.15 5.42 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.324 172.819 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 32' ' ' VAL . . . . . 0.716 ' O ' HG13 ' B' ' 36' ' ' ILE . 8.4 p -69.91 -42.52 79.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 C-N-CA 119.725 -0.79 . . . . 0.0 109.429 174.791 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 33' ' ' VAL . . . . . 0.746 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 4.9 t -57.54 -59.84 2.82 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.695 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.567 -179.209 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.427 ' HA ' HD12 ' B' ' 37' ' ' LEU . 23.9 tt0 -67.88 -22.71 65.09 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.477 -174.805 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.3 -50.56 71.18 Favored 'General case' 0 CA--C 1.515 -0.4 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 172.39 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.716 HG13 ' O ' ' B' ' 32' ' ' VAL . 49.0 mt -60.9 -54.94 28.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 114.611 -1.177 . . . . 0.0 110.687 178.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.746 ' HG ' ' O ' ' B' ' 33' ' ' VAL . 7.2 mt -53.69 -29.98 41.44 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.033 -178.141 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.91 -41.98 12.1 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 -172.169 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 39' ' ' HIS . . . . . 0.439 ' HB2' HD11 ' B' ' 20' ' ' LEU . 55.6 m80 -74.47 -29.09 61.31 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-O 121.027 0.441 . . . . 0.0 110.348 -173.819 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 11.9 mt -79.75 81.89 5.94 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.474 178.556 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 46.2 m-80 -88.18 36.28 0.77 Allowed 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.679 0.752 . . . . 0.0 109.037 175.493 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 42' ' ' THR . . . . . 0.4 HG21 ' CD ' ' B' ' 13' ' ' GLU . 5.5 t -109.05 -30.21 8.18 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.775 -1.102 . . . . 0.0 110.312 177.609 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 43' ' ' VAL . . . . . 0.424 ' HB ' ' HG3' ' B' ' 45' ' ' ARG . 3.1 m -124.13 104.18 32.55 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-N 116.175 -0.466 . . . . 0.0 112.006 -174.134 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -73.85 89.66 0.99 Allowed 'Trans proline' 0 N--CA 1.46 -0.461 0 C-N-CA 122.245 1.964 . . . . 0.0 111.06 172.08 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 45' ' ' ARG . . . . . 0.424 ' NE ' ' HE1' ' B' ' 9' ' ' TRP . 48.9 mtp85 -133.85 176.22 8.76 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 -177.616 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 46' ' ' THR . . . . . 0.71 HG22 ' NE2' ' B' ' 49' ' ' GLN . 5.4 t -86.46 175.47 8.36 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.258 -0.577 . . . . 0.0 110.083 178.703 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 47' ' ' ARG . . . . . 0.551 ' HD2' HD13 ' B' ' 37' ' ' LEU . 15.0 mmt180 -65.6 -41.88 92.3 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.222 0.534 . . . . 0.0 110.276 -173.688 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 25.5 ttpt -58.1 -34.28 70.02 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.184 -0.916 . . . . 0.0 112.438 178.603 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.71 ' NE2' HG22 ' B' ' 46' ' ' THR . 1.0 OUTLIER -59.96 -48.3 82.26 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -173.391 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.512 HG23 HD11 ' B' ' 17' ' ' LEU . 1.7 mp -61.52 -49.31 84.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.085 0.469 . . . . 0.0 110.282 176.177 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 77.2 mt -52.89 -44.45 49.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.082 -0.963 . . . . 0.0 111.401 -177.431 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -62.24 -46.95 86.55 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.457 -0.792 . . . . 0.0 112.489 -174.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 53' ' ' HIS . . . . . 0.499 ' O ' ' HB2' ' B' ' 57' ' ' MET . 90.2 m-70 -66.9 -23.02 65.94 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.484 -0.486 . . . . 0.0 111.307 -177.551 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 54' ' ' LEU . . . . . 0.506 HD22 HD11 ' B' ' 59' ' ' LEU . 90.2 mt -76.17 -52.35 10.26 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.128 0.489 . . . . 0.0 110.688 -177.473 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 55' ' ' VAL . . . . . 0.494 ' HA ' ' HB3' ' B' ' 60' ' ' ALA . 4.1 m -73.01 -24.61 21.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.58 -178.424 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -81.09 -18.56 46.14 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.017 177.742 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.545 ' SD ' ' HD2' ' B' ' 18' ' ' ARG . 30.8 ttm -88.58 -2.75 58.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.157 0.503 . . . . 0.0 110.367 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 79.56 6.65 88.93 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.919 -0.657 . . . . 0.0 113.063 176.823 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.506 HD11 HD22 ' B' ' 54' ' ' LEU . 4.2 pp -92.36 -20.51 21.0 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.189 0.519 . . . . 0.0 110.09 178.43 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 60' ' ' ALA . . . . . 0.494 ' HB3' ' HA ' ' B' ' 55' ' ' VAL . . . -114.92 162.2 17.25 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.572 174.285 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -77.9 -64.64 1.11 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.613 -178.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 77.7 p -156.67 175.94 13.39 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-O 121.06 0.457 . . . . 0.0 111.458 -178.497 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 47.3 t -65.95 -30.39 49.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.623 178.435 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 64' ' ' LYS . . . . . 0.462 ' HB2' ' NZ ' ' B' ' 64' ' ' LYS . 7.2 mtmp? -56.34 -39.6 73.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.45 -176.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -63.57 -23.19 67.28 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.641 -176.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 66' ' ' PHE . . . . . 0.525 ' CD1' HG22 ' B' ' 33' ' ' VAL . 3.2 m-85 . . . . . 0 C--N 1.323 -0.578 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.747 177.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.449 -0.523 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -49.99 98.68 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.2 0.524 . . . . 0.0 111.295 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 76' ' ' TRP . . . . . . . . . . . . . 43.9 m95 -92.5 110.43 21.84 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.808 -178.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 76.6 p -93.22 167.0 12.04 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.523 174.798 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.54 -33.28 66.29 Favored Glycine 0 N--CA 1.454 -0.158 0 C-N-CA 120.78 -0.724 . . . . 0.0 111.829 179.479 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 79' ' ' ASP . . . . . 0.538 ' O ' ' HG3' ' B' ' 83' ' ' GLU . 14.5 m-20 -62.07 -52.99 61.67 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.797 0.332 . . . . 0.0 110.132 176.024 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -60.25 -41.44 93.21 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.376 -179.222 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 81' ' ' GLU . . . . . 0.48 ' O ' ' HB2' ' B' ' 85' ' ' GLN . 62.0 mt-10 -59.35 -46.48 88.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.305 -0.407 . . . . 0.0 109.943 178.681 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 6.8 tt -63.64 -35.25 79.9 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.093 178.343 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 83' ' ' GLU . . . . . 0.538 ' HG3' ' O ' ' B' ' 79' ' ' ASP . 59.4 mt-10 -56.12 -59.47 4.88 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-O 121.055 0.455 . . . . 0.0 111.274 178.684 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 84' ' ' LEU . . . . . 0.404 HD23 ' O ' ' B' ' 84' ' ' LEU . 6.3 tt -81.47 -26.52 35.17 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.709 -171.317 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 85' ' ' GLN . . . . . 0.48 ' HB2' ' O ' ' B' ' 81' ' ' GLU . 0.7 OUTLIER -53.45 -61.87 2.02 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.255 0.55 . . . . 0.0 109.763 176.848 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 31.7 mtp180 -65.71 -40.05 91.83 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.41 -0.813 . . . . 0.0 111.216 -178.57 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 11.0 tp -63.83 -40.34 96.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.737 -176.618 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.596 ' O ' ' HB2' ' B' ' 92' ' ' ARG . 0.8 OUTLIER -57.41 -42.54 82.5 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.048 177.62 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -70.07 -38.79 75.84 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.901 0.381 . . . . 0.0 110.796 178.802 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -59.05 -50.07 75.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.599 -176.212 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 91' ' ' PHE . . . . . 0.47 ' HB2' HG23 ' B' ' 97' ' ' VAL . 79.6 m-85 -100.4 13.54 34.15 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.79 0.328 . . . . 0.0 111.394 -177.035 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 92' ' ' ARG . . . . . 0.596 ' HB2' ' O ' ' B' ' 88' ' ' PHE . 54.0 ttt180 -68.1 -15.65 63.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.626 0.727 . . . . 0.0 110.648 178.344 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -85.43 6.25 27.5 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.214 -177.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 77.2 p -110.57 174.57 5.8 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.273 176.454 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -62.44 -48.01 81.53 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.996 0.427 . . . . 0.0 111.355 -178.061 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -126.33 100.87 6.47 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.911 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 97' ' ' VAL . . . . . 0.507 ' O ' HG13 ' B' ' 101' ' ' ILE . 3.9 p -71.4 -36.97 63.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.153 -178.364 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 98' ' ' LEU . . . . . 0.54 ' HB2' ' NH1' ' B' ' 111' ' ' ARG . 5.7 mp -67.67 -32.5 73.21 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 121.124 -0.231 . . . . 0.0 111.225 -175.149 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 99' ' ' GLY . . . . . 0.475 ' O ' ' HD3' ' B' ' 103' ' ' LYS . . . -62.37 -38.86 96.97 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.639 -0.791 . . . . 0.0 111.512 175.588 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 32.4 m170 -79.3 -28.72 42.24 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 101' ' ' ILE . . . . . 0.507 HG13 ' O ' ' B' ' 97' ' ' VAL . 44.0 mt -58.5 -56.68 14.89 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.403 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.283 172.774 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 102' ' ' MET . . . . . 0.458 ' HA ' HG22 ' B' ' 105' ' ' ILE . 45.7 mtt -55.05 -39.25 68.98 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.227 0.454 . . . . 0.0 112.227 -176.267 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 103' ' ' LYS . . . . . 0.475 ' HD3' ' O ' ' B' ' 99' ' ' GLY . 1.7 mptm? -74.11 -24.45 59.46 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 111.957 0.354 . . . . 0.0 111.957 -179.629 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 -106.67 -4.71 19.22 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -177.4 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 105' ' ' ILE . . . . . 0.458 HG22 ' HA ' ' B' ' 102' ' ' MET . 10.5 tp -97.81 148.78 5.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.432 0.634 . . . . 0.0 111.233 -177.817 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 3.7 t -66.78 -35.54 80.32 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 114.868 -1.06 . . . . 0.0 111.664 -176.496 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 107' ' ' ALA . . . . . 0.43 ' H ' HG13 ' B' ' 105' ' ' ILE . . . -112.87 129.4 56.47 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 116.668 -0.242 . . . . 0.0 110.69 -178.868 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.32 101.09 6.14 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 176.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 56.9 mtt180 -109.08 124.4 50.72 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.473 -175.521 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 110' ' ' SER . . . . . 0.597 ' O ' ' HG2' ' B' ' 113' ' ' ARG . 1.4 m -56.05 155.7 6.17 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 123.687 0.617 . . . . 0.0 111.536 -177.305 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 111' ' ' ARG . . . . . 0.54 ' NH1' ' HB2' ' B' ' 98' ' ' LEU . 11.9 mmt180 -56.13 -47.43 78.16 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.991 -175.687 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -61.15 -29.17 69.62 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 -175.107 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 113' ' ' ARG . . . . . 0.597 ' HG2' ' O ' ' B' ' 110' ' ' SER . 19.3 ptp180 -87.02 -29.0 22.29 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.198 -0.601 . . . . 0.0 111.03 -178.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 59.2 mt -69.17 -55.29 15.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.778 0.323 . . . . 0.0 110.75 173.272 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 115' ' ' VAL . . . . . 0.534 ' O ' HD23 ' B' ' 119' ' ' LEU . 32.6 m -59.96 -36.83 69.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.855 -173.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -73.24 -30.94 63.81 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.41 179.335 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 44.7 tptt -68.12 -37.2 80.86 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.235 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 7.3 mp -60.33 -43.12 96.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.364 176.8 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 119' ' ' LEU . . . . . 0.534 HD23 ' O ' ' B' ' 115' ' ' VAL . 4.4 mm? -67.26 -27.9 67.59 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.384 0.612 . . . . 0.0 110.403 179.197 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -74.69 -42.2 58.86 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.651 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 10.6 mp -68.86 -24.77 64.39 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.857 173.714 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 78.03 35.16 35.52 Favored Glycine 0 N--CA 1.443 -0.862 0 C-N-CA 120.457 -0.878 . . . . 0.0 110.965 -173.558 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 62.0 mt -79.24 -30.89 43.41 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-O 121.241 0.544 . . . . 0.0 109.99 179.374 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 124' ' ' VAL . . . . . 0.499 HG21 ' CD2' ' B' ' 130' ' ' LEU . 23.9 m -134.24 168.17 24.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.7 -178.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -81.95 -32.37 30.81 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.834 -1.075 . . . . 0.0 110.312 177.592 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 126' ' ' GLU . . . . . 0.432 ' HG3' ' HB3' ' B' ' 128' ' ' ARG . 7.8 pt-20 -169.47 177.98 4.41 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 114.457 -1.247 . . . . 0.0 108.768 -172.118 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 127' ' ' ARG . . . . . 0.599 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 12.2 mpt_? -65.63 -22.24 66.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.895 0.379 . . . . 0.0 111.043 -179.506 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 128' ' ' ARG . . . . . 0.432 ' HB3' ' HG3' ' B' ' 126' ' ' GLU . 8.7 ttm180 -59.0 -39.0 80.48 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.761 -179.131 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 129' ' ' GLU . . . . . 0.403 ' HB2' ' HB ' ' B' ' 124' ' ' VAL . 7.1 mm-40 -72.0 -8.93 57.37 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.982 -0.554 . . . . 0.0 112.401 -170.355 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 130' ' ' LEU . . . . . 0.599 ' HG ' ' O ' ' B' ' 127' ' ' ARG . 0.1 OUTLIER -107.67 12.23 27.72 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.715 0.293 . . . . 0.0 111.347 179.528 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 131' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 . . . . . 0 C--N 1.327 -0.382 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 175.57 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 9' ' ' TRP . . . . . 0.519 ' CH2' HG21 ' B' ' 43' ' ' VAL . 70.5 m95 . . . . . 0 N--CA 1.455 -0.18 0 CA-C-O 120.707 0.289 . . . . 0.0 110.763 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 36.6 p -79.42 158.54 73.79 Favored Pre-proline 0 C--N 1.322 -0.601 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 176.062 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_endo -51.18 -34.44 48.39 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.723 2.282 . . . . 0.0 112.133 177.448 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -74.91 -31.35 61.53 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.61 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.437 ' CD ' HG21 ' B' ' 42' ' ' THR . 6.5 tp10 -78.74 -35.99 43.89 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.366 -179.368 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -64.74 -37.65 88.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.938 0.399 . . . . 0.0 110.448 177.452 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.7 -32.02 72.38 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.085 0.469 . . . . 0.0 110.494 175.802 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.51 ' HA ' ' HB3' ' B' ' 19' ' ' GLU . 11.5 t-160 -74.7 -26.76 60.04 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.35 176.173 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.485 HD11 HG23 ' B' ' 50' ' ' ILE . 32.4 tp -67.59 -47.25 70.28 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 177.631 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 18' ' ' ARG . . . . . 0.763 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 30.7 ptt180 -73.26 -30.49 63.48 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 174.814 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 19' ' ' GLU . . . . . 0.51 ' HB3' ' HA ' ' B' ' 16' ' ' HIS . 10.3 tp10 -48.53 -51.87 25.39 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 121.665 0.745 . . . . 0.0 110.503 177.232 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.515 HD11 ' HB2' ' B' ' 39' ' ' HIS . 0.4 OUTLIER -73.69 -28.43 61.74 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.076 -0.966 . . . . 0.0 111.223 -177.047 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -70.55 -49.6 46.36 Favored 'General case' 0 CA--C 1.514 -0.43 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 178.048 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.763 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 39.3 mt -63.2 -20.34 65.33 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.623 -177.806 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.91 -43.29 22.46 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.837 179.194 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -109.25 3.18 21.43 Favored 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 -173.315 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 12.5 ptmm? -62.38 -35.92 80.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.691 0.281 . . . . 0.0 111.67 -177.514 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -94.6 10.69 33.8 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.179 -176.55 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 49.4 t -89.35 106.89 17.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 173.385 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -82.84 138.41 33.95 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.986 -173.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.64 -18.78 55.8 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.951 -0.642 . . . . 0.0 113.041 177.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -97.05 147.28 24.18 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.919 0.359 . . . . 0.0 110.822 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -63.28 100.15 0.23 Allowed 'General case' 0 CA--C 1.516 -0.327 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.443 168.603 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 32' ' ' VAL . . . . . 0.511 ' O ' HG13 ' B' ' 36' ' ' ILE . 10.3 p -59.89 -36.74 68.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 120.901 0.381 . . . . 0.0 110.212 178.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 33' ' ' VAL . . . . . 0.795 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 8.0 p -73.35 -38.55 53.87 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.868 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.201 -174.21 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.448 ' HA ' HD11 ' B' ' 37' ' ' LEU . 24.4 mt-10 -69.38 -24.74 63.91 Favored 'General case' 0 CA--C 1.514 -0.404 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.469 179.295 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.89 -44.8 91.94 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.621 0.724 . . . . 0.0 109.054 170.445 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.59 ' O ' ' HG ' ' B' ' 40' ' ' LEU . 44.8 mt -72.45 -64.45 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.587 -177.247 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.795 ' HG ' ' O ' ' B' ' 33' ' ' VAL . 2.4 pp -65.74 -20.07 66.13 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 -170.124 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 38' ' ' ALA . . . . . 0.465 ' N ' HD12 ' B' ' 37' ' ' LEU . . . -90.0 -31.1 17.36 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.58 -0.448 . . . . 0.0 112.007 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 39' ' ' HIS . . . . . 0.515 ' HB2' HD11 ' B' ' 20' ' ' LEU . 33.3 m80 -80.79 -29.92 36.01 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.6 -0.44 . . . . 0.0 111.958 -175.031 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.59 ' HG ' ' O ' ' B' ' 36' ' ' ILE . 0.5 OUTLIER -89.6 86.49 6.74 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.743 0.782 . . . . 0.0 111.417 178.402 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -84.0 38.62 0.66 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.641 0.734 . . . . 0.0 110.188 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 42' ' ' THR . . . . . 0.437 HG21 ' CD ' ' B' ' 13' ' ' GLU . 2.3 t -104.82 -13.0 16.01 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 114.934 -1.03 . . . . 0.0 109.383 179.354 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 43' ' ' VAL . . . . . 0.519 HG21 ' CH2' ' B' ' 9' ' ' TRP . 2.4 m -133.14 100.45 14.2 Favored Pre-proline 0 N--CA 1.453 -0.315 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.738 -179.334 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -73.24 88.73 0.96 Allowed 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 121.987 1.792 . . . . 0.0 110.214 169.382 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 45' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' B' ' 45' ' ' ARG . 24.0 mtp180 -138.04 170.89 15.25 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.193 -176.011 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 46' ' ' THR . . . . . 0.532 HG22 ' HG2' ' B' ' 49' ' ' GLN . 5.8 t -74.59 155.78 37.48 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 176.694 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 47' ' ' ARG . . . . . 0.529 ' HD2' HD22 ' B' ' 37' ' ' LEU . 28.4 mmt180 -63.08 -31.99 73.25 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.015 0.436 . . . . 0.0 111.244 -172.329 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -56.41 -31.87 64.3 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.348 -0.842 . . . . 0.0 112.186 -179.576 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.532 ' HG2' HG22 ' B' ' 46' ' ' THR . 17.8 mm-40 -68.38 -40.0 81.55 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 111.898 0.332 . . . . 0.0 111.898 -172.861 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.485 HG23 HD11 ' B' ' 17' ' ' LEU . 2.0 mp -66.18 -47.73 83.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 177.711 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.511 HG12 HG21 ' B' ' 33' ' ' VAL . 87.4 mt -52.57 -50.58 39.67 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 CA-C-O 121.707 0.765 . . . . 0.0 110.51 177.116 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 52' ' ' HIS . . . . . 0.449 ' HB3' ' NE2' ' B' ' 56' ' ' GLN . 0.9 OUTLIER -60.21 -53.51 56.83 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.568 -1.196 . . . . 0.0 112.838 -172.896 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 53' ' ' HIS . . . . . 0.482 ' HB2' HD21 ' B' ' 17' ' ' LEU . 37.8 m-70 -59.97 -32.2 70.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.839 0.352 . . . . 0.0 111.78 -175.139 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 54' ' ' LEU . . . . . 0.527 HD22 HD11 ' B' ' 59' ' ' LEU . 80.1 mt -68.67 -45.82 70.72 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.208 -178.008 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 55' ' ' VAL . . . . . 0.417 HG11 ' C ' ' B' ' 62' ' ' SER . 5.4 m -75.93 -20.48 15.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.254 0.55 . . . . 0.0 109.813 178.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 56' ' ' GLN . . . . . 0.449 ' NE2' ' HB3' ' B' ' 52' ' ' HIS . 45.5 mt-30 -72.49 -35.35 68.15 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.915 175.723 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 66.6 mtm -82.51 6.28 17.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.451 179.633 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 69.63 4.18 44.84 Favored Glycine 0 C--N 1.33 0.2 0 C-N-CA 121.234 -0.507 . . . . 0.0 113.045 175.328 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.527 HD11 HD22 ' B' ' 54' ' ' LEU . 4.5 pp -82.6 -17.69 43.89 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.35 0.595 . . . . 0.0 109.61 -179.603 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 60' ' ' ALA . . . . . 0.408 ' HB3' HG12 ' B' ' 55' ' ' VAL . . . -115.61 170.2 8.62 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.379 174.781 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -75.7 -68.08 0.61 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.235 0.54 . . . . 0.0 110.449 179.093 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 62' ' ' SER . . . . . 0.417 ' C ' HG11 ' B' ' 55' ' ' VAL . 72.3 p -165.34 176.27 8.46 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 115.216 -0.902 . . . . 0.0 109.918 -178.836 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 73.8 t -62.98 -27.41 43.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.254 0.55 . . . . 0.0 110.151 178.653 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 30.7 mtmm -68.6 -24.49 64.59 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.476 -176.071 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -74.68 -31.92 62.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.299 0.571 . . . . 0.0 109.963 179.098 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 . . . . . 0 CA--C 1.513 -0.466 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.442 176.09 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 74' ' ' VAL . . . . . 0.425 HG12 ' HD2' ' B' ' 113' ' ' ARG . 0.7 OUTLIER . . . . . 0 CA--C 1.509 -0.606 0 N-CA-C 108.407 -0.961 . . . . 0.0 108.407 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 20.8 tp -57.84 100.98 0.06 Allowed 'General case' 0 C--N 1.312 -1.048 0 CA-C-O 121.277 0.56 . . . . 0.0 111.071 -177.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 76' ' ' TRP . . . . . 0.599 ' CE2' ' HG3' ' B' ' 117' ' ' LYS . 92.5 m95 -100.75 110.09 22.16 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.416 178.483 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 76.0 p -103.91 178.87 4.43 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 173.181 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.3 -45.98 87.46 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.53 -0.843 . . . . 0.0 112.154 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -71.93 -40.62 68.62 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.862 0.363 . . . . 0.0 110.5 -179.492 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 80' ' ' GLN . . . . . 0.505 ' O ' ' HB3' ' B' ' 83' ' ' GLU . 0.0 OUTLIER -65.83 -37.3 85.85 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.254 -177.624 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 81' ' ' GLU . . . . . 0.461 ' HA ' ' CE3' ' B' ' 76' ' ' TRP . 36.1 tt0 -72.01 -35.62 69.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.99 0.424 . . . . 0.0 110.399 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 25.6 tp -61.59 -37.02 82.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.087 175.514 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 83' ' ' GLU . . . . . 0.505 ' HB3' ' O ' ' B' ' 80' ' ' GLN . 40.5 tt0 -53.29 -49.57 66.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.668 177.266 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 84' ' ' LEU . . . . . 0.417 ' HB2' ' CH2' ' B' ' 76' ' ' TRP . 53.5 tp -60.37 -48.53 81.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.484 178.011 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -54.71 -48.3 72.66 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.976 -178.267 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 86' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' B' ' 86' ' ' ARG . 44.0 mtp180 -66.93 -49.49 65.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.154 -178.711 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 12.5 tp -63.75 -40.5 96.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.096 -175.275 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.61 ' CE2' HD21 ' B' ' 118' ' ' LEU . 53.5 t80 -51.14 -48.47 61.79 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 122.683 0.393 . . . . 0.0 111.79 174.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -68.74 -24.25 64.43 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.371 0.605 . . . . 0.0 111.241 -178.105 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -77.21 -37.81 52.66 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.036 -0.984 . . . . 0.0 111.928 -176.2 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -107.36 4.41 26.37 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -175.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 92' ' ' ARG . . . . . 0.426 ' HA ' ' HB ' ' B' ' 97' ' ' VAL . 16.5 ptm180 -73.79 -11.07 60.27 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.956 -0.297 . . . . 0.0 111.662 -176.452 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -74.39 -0.33 16.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.913 0.387 . . . . 0.0 110.99 176.471 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 9.4 t -105.32 175.05 5.62 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 177.094 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -76.93 -33.51 57.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.912 0.386 . . . . 0.0 111.179 -176.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -124.86 97.47 5.28 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 178.744 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 97' ' ' VAL . . . . . 0.602 ' O ' HG12 ' B' ' 101' ' ' ILE . 8.9 p -76.81 -36.88 27.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.071 -176.47 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 98' ' ' LEU . . . . . 0.57 ' O ' ' HG3' ' B' ' 102' ' ' MET . 1.0 OUTLIER -66.05 -42.0 90.07 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.107 -0.497 . . . . 0.0 112.113 -171.891 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -63.6 -31.73 81.78 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.556 -0.83 . . . . 0.0 112.137 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 13.1 m170 -75.23 -31.44 60.85 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 101' ' ' ILE . . . . . 0.665 ' O ' ' HB ' ' B' ' 105' ' ' ILE . 51.3 mm -59.61 -53.29 50.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.766 173.02 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 102' ' ' MET . . . . . 0.57 ' HG3' ' O ' ' B' ' 98' ' ' LEU . 27.5 mtp -67.09 -36.96 83.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.152 -173.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 5.3 tptm -80.08 -18.29 50.37 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.58 -172.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -117.85 10.88 13.35 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.838 0.351 . . . . 0.0 111.702 -177.275 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 105' ' ' ILE . . . . . 0.665 ' HB ' ' O ' ' B' ' 101' ' ' ILE . 10.7 tp -98.25 159.59 3.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.563 0.697 . . . . 0.0 111.964 -172.325 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 106' ' ' THR . . . . . 0.459 ' N ' HG13 ' B' ' 105' ' ' ILE . 3.7 t -79.58 -24.14 42.25 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.84 -1.073 . . . . 0.0 111.493 -179.307 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 107' ' ' ALA . . . . . 0.426 ' H ' HG13 ' B' ' 105' ' ' ILE . . . -102.2 169.96 8.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.257 -174.021 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 108' ' ' LYS . . . . . 0.466 ' HA ' ' HE2' ' B' ' 108' ' ' LYS . 6.2 mmpt? -92.48 102.86 15.32 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 171.67 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.84 122.6 46.83 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.615 -175.058 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 62.1 p -97.23 151.09 20.19 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 167.662 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -59.92 -33.97 72.59 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -171.412 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -54.38 -38.14 65.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.977 0.418 . . . . 0.0 111.239 177.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 113' ' ' ARG . . . . . 0.425 ' HD2' HG12 ' B' ' 74' ' ' VAL . 21.4 mtt180 -84.33 -29.36 26.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.142 0.496 . . . . 0.0 110.227 -176.248 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 114' ' ' ILE . . . . . 0.421 HD11 ' HG2' ' B' ' 102' ' ' MET . 85.6 mt -71.31 -47.74 58.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.63 -178.3 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 115' ' ' VAL . . . . . 0.476 ' O ' HD13 ' B' ' 119' ' ' LEU . 17.8 m -65.47 -36.84 78.63 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.542 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.331 -177.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -55.7 -45.63 77.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.897 0.38 . . . . 0.0 110.345 175.608 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 117' ' ' LYS . . . . . 0.599 ' HG3' ' CE2' ' B' ' 76' ' ' TRP . 37.7 mmtt -73.55 -37.16 65.67 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.66 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 118' ' ' LEU . . . . . 0.61 HD21 ' CE2' ' B' ' 88' ' ' PHE . 2.3 tp -62.18 -46.15 90.21 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.066 0.46 . . . . 0.0 110.854 -179.127 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 119' ' ' LEU . . . . . 0.476 HD13 ' O ' ' B' ' 115' ' ' VAL . 10.0 mp -71.8 -18.82 62.07 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.64 179.728 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -83.49 -35.34 24.95 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.298 -179.167 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 121' ' ' LEU . . . . . 0.535 HD13 ' O ' ' B' ' 117' ' ' LYS . 10.5 mp -69.77 -24.63 63.54 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.238 167.359 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 75.88 33.02 52.05 Favored Glycine 0 N--CA 1.444 -0.825 0 CA-C-N 114.76 -1.109 . . . . 0.0 111.899 -178.384 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 123' ' ' LEU . . . . . 0.532 HD13 ' CD1' ' B' ' 88' ' ' PHE . 90.0 mt -74.41 -25.16 59.29 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.934 0.873 . . . . 0.0 108.705 177.419 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 124' ' ' VAL . . . . . 0.512 HG21 ' CD2' ' B' ' 130' ' ' LEU . 24.0 m -141.88 163.23 19.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 113.964 -1.471 . . . . 0.0 109.367 175.821 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -102.65 -13.17 17.22 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.114 0.483 . . . . 0.0 110.51 177.08 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 126' ' ' GLU . . . . . 0.442 ' O ' HD21 ' B' ' 130' ' ' LEU . 15.3 pt-20 -153.44 172.21 17.46 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.263 -179.093 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 127' ' ' ARG . . . . . 0.751 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 0.6 OUTLIER -79.59 -21.76 44.59 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.074 0.464 . . . . 0.0 111.029 -177.802 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 128' ' ' ARG . . . . . 0.409 ' HB3' ' OE1' ' B' ' 126' ' ' GLU . 28.6 ttm180 -56.1 -38.0 70.15 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -176.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -74.05 -17.41 60.97 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 -173.8 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 130' ' ' LEU . . . . . 0.751 ' HG ' ' O ' ' B' ' 127' ' ' ARG . 0.1 OUTLIER -92.54 -8.85 43.27 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.141 0.496 . . . . 0.0 110.595 -178.549 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 131' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 . . . . . 0 C--N 1.326 -0.426 0 N-CA-C 107.667 -1.235 . . . . 0.0 107.667 173.731 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 9' ' ' TRP . . . . . 0.469 ' CH2' HG21 ' B' ' 43' ' ' VAL . 56.0 m95 . . . . . 0 CA--C 1.518 -0.251 0 CA-C-O 121.016 0.436 . . . . 0.0 111.588 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 10' ' ' SER . . . . . 0.524 ' OG ' ' HB2' ' B' ' 13' ' ' GLU . 15.8 p -75.15 159.93 81.42 Favored Pre-proline 0 C--N 1.318 -0.774 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.196 173.443 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -50.67 -43.97 43.05 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.532 2.155 . . . . 0.0 112.275 179.026 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -68.78 -27.59 66.02 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.707 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.524 ' HB2' ' OG ' ' B' ' 10' ' ' SER . 3.1 tt0 -74.09 -44.19 54.89 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.614 -175.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -68.73 -28.63 66.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.058 0.456 . . . . 0.0 109.924 175.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 15' ' ' ALA . . . . . 0.46 ' O ' ' HB2' ' B' ' 19' ' ' GLU . . . -64.78 -36.74 85.29 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.172 174.346 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.452 ' HA ' ' CB ' ' B' ' 19' ' ' GLU . 0.9 OUTLIER -76.3 -30.82 57.9 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.833 176.67 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.476 HD11 HG23 ' B' ' 50' ' ' ILE . 25.6 tp -63.58 -47.88 79.68 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 178.125 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 18' ' ' ARG . . . . . 0.778 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 10.5 ptm180 -70.97 -35.71 72.26 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 174.695 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 19' ' ' GLU . . . . . 0.46 ' HB2' ' O ' ' B' ' 15' ' ' ALA . 11.5 tp10 -49.1 -55.16 13.07 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.96 0.886 . . . . 0.0 110.589 -178.636 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.487 HD11 ' HB2' ' B' ' 39' ' ' HIS . 1.0 OUTLIER -66.54 -35.99 81.6 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.598 -1.183 . . . . 0.0 111.827 -178.885 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 21' ' ' TYR . . . . . 0.457 ' HA ' HD11 ' B' ' 36' ' ' ILE . 68.8 t80 -70.64 -39.41 73.69 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.617 -175.86 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.778 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 49.1 mt -64.63 -25.17 67.84 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.328 179.348 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.43 -56.68 3.61 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.975 178.521 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 24' ' ' ASN . . . . . 0.472 HD22 ' N ' ' B' ' 24' ' ' ASN . 0.9 OUTLIER -79.83 -1.57 39.56 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -170.946 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.08 -21.21 64.98 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 120.656 -0.417 . . . . 0.0 110.935 177.009 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -98.87 3.56 47.3 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.015 -179.678 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 50.0 t -97.86 107.23 19.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 176.4 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -101.48 148.54 25.07 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.173 -179.351 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.35 1.26 66.73 Favored Glycine 0 N--CA 1.445 -0.709 0 N-CA-C 110.256 -1.138 . . . . 0.0 110.256 -171.573 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 30' ' ' GLN . . . . . 0.406 ' HG2' ' N ' ' B' ' 31' ' ' ASP . 19.1 tt0 -129.6 149.33 51.41 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.948 -0.626 . . . . 0.0 109.614 177.821 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 31' ' ' ASP . . . . . 0.406 ' N ' ' HG2' ' B' ' 30' ' ' GLN . 9.6 t70 -70.34 129.27 38.87 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 172.564 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 32' ' ' VAL . . . . . 0.67 ' O ' HG12 ' B' ' 36' ' ' ILE . 2.2 p -79.49 -45.33 23.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 C-N-CA 119.832 -0.747 . . . . 0.0 111.032 -178.291 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 33' ' ' VAL . . . . . 0.69 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 14.4 p -70.34 -42.89 78.72 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.401 0 C-N-CA 120.985 -0.286 . . . . 0.0 110.397 -174.147 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.591 ' HA ' HD11 ' B' ' 37' ' ' LEU . 1.3 tm-20 -62.79 -40.17 96.49 Favored 'General case' 0 N--CA 1.444 -0.753 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 178.441 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.24 -51.17 65.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.017 175.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.67 HG12 ' O ' ' B' ' 32' ' ' VAL . 11.7 mm -57.25 -63.61 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.177 -178.083 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.69 ' HG ' ' O ' ' B' ' 33' ' ' VAL . 2.1 pp -65.43 -20.75 66.5 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.506 -175.426 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.63 -48.12 64.86 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.914 0.388 . . . . 0.0 111.211 176.565 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 39' ' ' HIS . . . . . 0.487 ' HB2' HD11 ' B' ' 20' ' ' LEU . 69.2 m80 -80.7 -21.47 41.22 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.678 -175.342 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.478 HD22 ' CD1' ' B' ' 20' ' ' LEU . 0.4 OUTLIER -76.8 81.16 3.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.878 0.371 . . . . 0.0 110.164 172.266 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 -87.28 35.0 0.69 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.708 0.766 . . . . 0.0 109.334 177.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 8.0 t -108.34 -20.5 13.11 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.817 -179.454 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 43' ' ' VAL . . . . . 0.469 HG21 ' CH2' ' B' ' 9' ' ' TRP . 6.8 m -134.77 117.25 12.87 Favored Pre-proline 0 C--O 1.234 0.246 0 CA-C-O 121.016 0.436 . . . . 0.0 112.073 -175.207 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo -76.02 89.94 1.2 Allowed 'Trans proline' 0 N--CA 1.463 -0.318 0 C-N-CA 122.813 2.342 . . . . 0.0 110.567 169.047 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 45' ' ' ARG . . . . . 0.42 ' CZ ' ' HE1' ' B' ' 9' ' ' TRP . 23.5 mtp180 -139.34 173.71 11.26 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.793 -174.021 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 15.2 t -96.99 168.21 10.61 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.835 -179.092 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 47' ' ' ARG . . . . . 0.545 ' HA ' ' CD2' ' B' ' 37' ' ' LEU . 0.3 OUTLIER -56.97 -44.13 82.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.45 -0.796 . . . . 0.0 111.538 -177.233 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 31.6 ttpt -53.85 -33.76 57.28 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.538 -0.755 . . . . 0.0 112.215 -176.789 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -74.82 -40.03 61.31 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.949 -171.769 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.505 HD13 ' HB3' ' B' ' 37' ' ' LEU . 2.5 mp -69.43 -45.27 79.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 177.112 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.649 HG22 HG12 ' B' ' 63' ' ' VAL . 81.1 mt -48.66 -47.23 15.52 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-O 121.563 0.697 . . . . 0.0 110.921 178.792 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 52' ' ' HIS . . . . . 0.469 ' HB3' ' NE2' ' B' ' 56' ' ' GLN . 3.0 m-70 -65.49 -53.39 43.23 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 114.919 -1.037 . . . . 0.0 112.894 -172.805 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 73.4 m-70 -58.38 -36.89 74.21 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 112.038 0.385 . . . . 0.0 112.038 -173.577 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 54' ' ' LEU . . . . . 0.601 HD22 HD11 ' B' ' 59' ' ' LEU . 79.5 mt -67.8 -43.33 79.93 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.219 -176.301 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 55' ' ' VAL . . . . . 0.454 HG11 ' C ' ' B' ' 62' ' ' SER . 13.3 m -78.84 -25.19 13.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.251 0.548 . . . . 0.0 109.984 178.014 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 56' ' ' GLN . . . . . 0.469 ' NE2' ' HB3' ' B' ' 52' ' ' HIS . 59.2 mt-30 -70.14 -32.73 70.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.752 175.518 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 73.6 mtm -82.23 3.23 28.24 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.982 177.474 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 67.95 10.17 58.26 Favored Glycine 0 N--CA 1.451 -0.345 0 CA-C-N 116.01 -0.541 . . . . 0.0 113.058 174.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.601 HD11 HD22 ' B' ' 54' ' ' LEU . 4.5 pp -91.69 -16.89 26.3 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.32 0.581 . . . . 0.0 109.701 179.476 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -118.97 153.95 33.82 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.279 175.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -64.64 -69.62 0.28 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.633 -176.187 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 62' ' ' SER . . . . . 0.486 ' HB2' ' NZ ' ' B' ' 64' ' ' LYS . 25.2 m -158.69 175.21 13.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.685 -0.688 . . . . 0.0 109.746 -176.572 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 63' ' ' VAL . . . . . 0.649 HG12 HG22 ' B' ' 51' ' ' ILE . 16.3 m -69.23 -24.31 27.75 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.617 0 CA-C-O 121.357 0.599 . . . . 0.0 111.554 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 64' ' ' LYS . . . . . 0.486 ' NZ ' ' HB2' ' B' ' 62' ' ' SER . 15.6 mtmm -44.62 -50.36 9.79 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.51 -1.223 . . . . 0.0 110.853 174.68 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -71.51 -6.84 43.55 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 113.498 -1.683 . . . . 0.0 111.062 -171.372 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 . . . . . 0 N--CA 1.452 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.142 177.846 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 3.1 m . . . . . 0 N--CA 1.434 -1.269 0 N-CA-C 106.71 -1.589 . . . . 0.0 106.71 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.16 93.01 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 -171.535 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 76' ' ' TRP . . . . . 0.571 ' CZ3' ' HG2' ' B' ' 80' ' ' GLN . 60.2 m95 -92.5 108.97 20.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.271 0.557 . . . . 0.0 111.076 -174.647 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 56.9 p -106.9 166.49 10.56 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.421 176.097 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -55.66 -30.64 56.62 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.276 178.512 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -77.0 -46.66 23.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 122.923 -0.163 . . . . 0.0 111.013 177.467 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 80' ' ' GLN . . . . . 0.571 ' HG2' ' CZ3' ' B' ' 76' ' ' TRP . 29.6 tt0 -67.7 -36.66 81.06 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 120.504 -0.478 . . . . 0.0 111.01 -177.786 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -65.99 -37.28 85.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.928 0.394 . . . . 0.0 110.208 178.461 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 19.1 tp -70.51 -35.57 73.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.209 174.462 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 83' ' ' GLU . . . . . 0.484 ' CD ' HH21 ' B' ' 86' ' ' ARG . 6.1 tp10 -62.44 -39.21 92.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.105 179.729 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 84' ' ' LEU . . . . . 0.497 HD22 ' CH2' ' B' ' 76' ' ' TRP . 52.4 tp -63.79 -36.94 85.53 Favored 'General case' 0 C--O 1.225 -0.212 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.267 177.133 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 85' ' ' GLN . . . . . 0.492 ' O ' ' HG3' ' B' ' 89' ' ' GLU . 17.0 tt0 -62.3 -56.04 22.37 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.141 178.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 86' ' ' ARG . . . . . 0.484 HH21 ' CD ' ' B' ' 83' ' ' GLU . 20.1 mtm180 -56.63 -41.75 77.66 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.286 0.565 . . . . 0.0 110.831 179.613 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 87' ' ' LEU . . . . . 0.53 ' CD2' HG23 ' B' ' 101' ' ' ILE . 16.7 tp -64.91 -48.53 73.85 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.02 -179.761 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.554 ' CE1' HD21 ' B' ' 118' ' ' LEU . 2.1 t80 -62.58 -43.25 99.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.231 -177.148 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 89' ' ' GLU . . . . . 0.508 ' O ' ' HG2' ' B' ' 92' ' ' ARG . 52.5 mt-10 -62.16 -37.85 86.79 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.281 0.563 . . . . 0.0 111.039 -178.715 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -79.21 -33.23 43.97 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.398 -0.819 . . . . 0.0 112.285 -174.526 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -90.4 -8.41 50.7 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -177.749 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 92' ' ' ARG . . . . . 0.508 ' HG2' ' O ' ' B' ' 89' ' ' GLU . 12.9 ptm180 -75.98 -11.19 59.91 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.33 0.586 . . . . 0.0 109.993 177.06 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -79.44 -1.34 36.89 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.786 173.083 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 23.2 m -104.94 -164.23 1.02 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.504 178.087 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 20.2 p-10 -84.01 -49.83 8.57 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -175.332 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 96' ' ' ASP . . . . . 0.544 ' O ' ' HD2' ' B' ' 100' ' ' HIS . 11.0 t0 -124.28 98.95 5.99 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 176.697 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 97' ' ' VAL . . . . . 0.566 HG13 HD12 ' B' ' 98' ' ' LEU . 7.4 p -56.58 -43.69 79.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.786 -175.187 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 98' ' ' LEU . . . . . 0.642 ' O ' ' HG3' ' B' ' 102' ' ' MET . 5.8 mp -76.72 -41.21 46.01 Favored 'General case' 0 CA--C 1.516 -0.349 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -172.478 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 99' ' ' GLY . . . . . 0.404 ' O ' ' HG2' ' B' ' 103' ' ' LYS . . . -56.57 -39.06 84.32 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.628 -0.796 . . . . 0.0 111.749 177.222 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 100' ' ' HIS . . . . . 0.544 ' HD2' ' O ' ' B' ' 96' ' ' ASP . 45.6 m-70 -76.46 -33.91 58.71 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 -179.717 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 101' ' ' ILE . . . . . 0.53 ' O ' HG22 ' B' ' 105' ' ' ILE . 18.9 mt -56.05 -59.27 2.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.741 172.691 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 102' ' ' MET . . . . . 0.642 ' HG3' ' O ' ' B' ' 98' ' ' LEU . 59.6 mtp -60.17 -30.19 69.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.783 -170.459 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 103' ' ' LYS . . . . . 0.404 ' HG2' ' O ' ' B' ' 99' ' ' GLY . 74.5 mmtt -92.39 -27.1 17.73 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 121.033 -0.267 . . . . 0.0 111.516 -175.249 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -93.79 -23.18 18.27 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -174.544 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 105' ' ' ILE . . . . . 0.53 HG22 ' O ' ' B' ' 101' ' ' ILE . 10.8 tp -90.04 154.83 3.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 121.64 0.734 . . . . 0.0 111.153 -174.132 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 106' ' ' THR . . . . . 0.439 ' N ' HG13 ' B' ' 105' ' ' ILE . 12.6 t -55.49 -29.24 58.44 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.257 -1.338 . . . . 0.0 112.682 -177.21 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 107' ' ' ALA . . . . . 0.428 ' O ' HG23 ' B' ' 105' ' ' ILE . . . -112.73 128.79 56.51 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.331 -177.202 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 108' ' ' LYS . . . . . 0.497 ' N ' ' HE3' ' B' ' 108' ' ' LYS . 0.2 OUTLIER -75.89 101.55 5.2 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 174.043 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 109' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' B' ' 109' ' ' ARG . 44.7 mtt180 -112.07 137.68 49.77 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.845 -176.189 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 15.3 m -75.28 159.63 31.28 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.265 -175.451 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 10.2 mmt180 -57.98 -51.21 70.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.098 -177.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -64.55 -22.11 66.88 Favored 'General case' 0 C--O 1.224 -0.24 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.169 -179.377 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 113' ' ' ARG . . . . . 0.568 ' NE ' ' HE1' ' B' ' 76' ' ' TRP . 0.0 OUTLIER -80.41 -48.99 12.06 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.49 0.662 . . . . 0.0 109.796 179.59 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 114' ' ' ILE . . . . . 0.451 HG23 HD11 ' B' ' 84' ' ' LEU . 89.4 mt -59.59 -48.94 85.54 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.007 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.439 -177.833 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 115' ' ' VAL . . . . . 0.695 ' O ' HD23 ' B' ' 119' ' ' LEU . 9.8 m -65.08 -37.48 80.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.574 -178.156 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -59.18 -37.3 77.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.377 0.608 . . . . 0.0 110.526 177.653 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 117' ' ' LYS . . . . . 0.536 ' HB2' HH21 ' B' ' 113' ' ' ARG . 15.4 tppt? -77.98 -37.46 47.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.592 -179.57 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 118' ' ' LEU . . . . . 0.554 HD21 ' CE1' ' B' ' 88' ' ' PHE . 0.9 OUTLIER -58.85 -42.61 89.76 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.418 0.628 . . . . 0.0 110.208 175.59 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 119' ' ' LEU . . . . . 0.695 HD23 ' O ' ' B' ' 115' ' ' VAL . 3.7 mm? -67.0 -26.99 67.07 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.648 -1.16 . . . . 0.0 110.919 178.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -80.52 -36.45 33.18 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.671 -177.669 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 10.9 mp -69.76 -24.18 63.49 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-O 121.34 0.591 . . . . 0.0 109.971 170.415 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 72.8 34.96 58.87 Favored Glycine 0 N--CA 1.441 -1.019 0 CA-C-N 115.116 -0.947 . . . . 0.0 111.487 -175.018 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 76.7 mt -71.75 -28.42 63.64 Favored 'General case' 0 CA--C 1.512 -0.482 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 175.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 124' ' ' VAL . . . . . 0.542 HG21 ' CD2' ' B' ' 130' ' ' LEU . 25.3 m -140.8 173.77 8.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 114.147 -1.388 . . . . 0.0 109.502 177.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -115.51 -10.92 11.85 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.385 0.612 . . . . 0.0 110.313 178.255 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 126' ' ' GLU . . . . . 0.504 ' OE2' ' HB3' ' B' ' 128' ' ' ARG . 9.3 pt-20 -150.49 167.89 25.82 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.364 -0.835 . . . . 0.0 109.664 -179.406 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 127' ' ' ARG . . . . . 0.723 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 0.9 OUTLIER -78.23 -21.79 49.41 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.983 0.42 . . . . 0.0 110.328 177.968 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 128' ' ' ARG . . . . . 0.504 ' HB3' ' OE2' ' B' ' 126' ' ' GLU . 66.8 ttt180 -63.8 -23.51 67.39 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.937 -175.779 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 129' ' ' GLU . . . . . 0.457 ' HG3' ' CG ' ' B' ' 126' ' ' GLU . 40.4 mt-10 -78.93 -25.49 43.67 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.211 0.449 . . . . 0.0 112.211 -175.543 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 130' ' ' LEU . . . . . 0.723 ' HG ' ' O ' ' B' ' 127' ' ' ARG . 0.0 OUTLIER -82.76 13.91 3.54 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.73 0.776 . . . . 0.0 110.222 -176.864 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 131' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 . . . . . 0 C--N 1.313 -1.006 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 176.709 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 83.6 m95 . . . . . 0 N--CA 1.455 -0.222 0 CA-C-O 121.046 0.451 . . . . 0.0 111.922 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 37.6 t -76.61 149.41 80.98 Favored Pre-proline 0 C--N 1.322 -0.629 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 169.518 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -53.71 -29.86 53.52 Favored 'Trans proline' 0 CA--C 1.531 0.346 0 C-N-CA 122.495 2.13 . . . . 0.0 111.549 176.663 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -70.04 -31.05 68.5 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.627 177.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -84.66 -38.08 20.23 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.738 -176.072 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -64.9 -33.33 75.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.203 0.525 . . . . 0.0 110.283 177.468 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.88 -33.15 71.85 Favored 'General case' 0 C--O 1.221 -0.418 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.953 174.457 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.482 ' HA ' ' HB3' ' B' ' 19' ' ' GLU . 12.4 t-160 -71.55 -28.32 63.78 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.326 175.806 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.517 HD11 HG23 ' B' ' 50' ' ' ILE . 20.1 tp -66.42 -46.91 74.94 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.517 177.382 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 18' ' ' ARG . . . . . 0.736 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 13.8 ptp180 -73.65 -29.91 62.62 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 175.745 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 19' ' ' GLU . . . . . 0.482 ' HB3' ' HA ' ' B' ' 16' ' ' HIS . 16.0 tp10 -52.74 -55.38 23.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.417 0.627 . . . . 0.0 110.455 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.47 ' HB3' HG12 ' B' ' 36' ' ' ILE . 0.3 OUTLIER -68.16 -27.62 66.58 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.06 -0.973 . . . . 0.0 111.006 -178.561 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -73.29 -52.82 12.55 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.297 179.207 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.736 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 52.4 mt -60.9 -25.47 66.76 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.468 -178.089 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.42 -56.68 4.58 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.172 176.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 24' ' ' ASN . . . . . 0.588 ' O ' HG22 ' B' ' 27' ' ' VAL . 18.2 m120 -97.54 20.23 12.12 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -171.115 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.589 ' HG3' ' OD1' ' B' ' 26' ' ' ASP . 12.8 ptmm? -79.93 -23.15 41.93 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 122.014 -0.428 . . . . 0.0 110.779 178.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 26' ' ' ASP . . . . . 0.589 ' OD1' ' HG3' ' B' ' 25' ' ' LYS . 1.4 m-20 -100.78 13.17 35.81 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.628 -174.616 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 27' ' ' VAL . . . . . 0.588 HG22 ' O ' ' B' ' 24' ' ' ASN . 22.1 m -90.94 141.21 14.75 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.791 0 CA-C-O 120.977 0.418 . . . . 0.0 110.079 177.512 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -120.91 136.61 54.91 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 -179.609 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.26 -0.83 69.1 Favored Glycine 0 N--CA 1.45 -0.387 0 N-CA-C 110.494 -1.042 . . . . 0.0 110.494 -172.342 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -136.81 148.79 47.38 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 114.633 -0.783 . . . . 0.0 109.577 179.384 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -86.17 136.1 33.33 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.176 173.522 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 32' ' ' VAL . . . . . 0.623 ' O ' HG13 ' B' ' 36' ' ' ILE . 13.4 p -67.12 -37.32 79.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 172.696 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 33' ' ' VAL . . . . . 0.754 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 0.2 OUTLIER -56.63 -57.1 10.57 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 CA-C-N 115.052 -0.976 . . . . 0.0 110.495 178.872 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -53.25 -38.04 62.65 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.404 -177.125 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.52 -53.12 59.52 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.591 176.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.623 HG13 ' O ' ' B' ' 32' ' ' VAL . 36.2 mt -62.61 -59.47 4.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.128 -177.252 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.754 ' HG ' ' O ' ' B' ' 33' ' ' VAL . 8.8 mt -49.04 -41.6 35.56 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 123.922 0.764 . . . . 0.0 111.553 -173.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.79 -34.84 16.94 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.437 -0.801 . . . . 0.0 113.069 -170.565 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 37.6 m80 -78.11 -29.54 49.02 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -172.278 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' B' ' 36' ' ' ILE . 0.7 OUTLIER -93.32 81.07 4.42 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.893 0.854 . . . . 0.0 111.478 178.735 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 51.5 m-80 -81.41 42.94 0.7 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.704 177.49 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 42' ' ' THR . . . . . 0.472 HG22 ' HB2' ' B' ' 40' ' ' LEU . 3.5 t -105.63 -18.6 14.03 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 114.798 -1.092 . . . . 0.0 109.882 -178.706 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 43' ' ' VAL . . . . . 0.454 ' HB ' HH11 ' B' ' 45' ' ' ARG . 3.4 m -133.18 107.08 12.33 Favored Pre-proline 0 N--CA 1.454 -0.259 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.969 -178.307 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_exo -65.88 99.98 0.41 Allowed 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 122.464 2.109 . . . . 0.0 111.048 169.771 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 45' ' ' ARG . . . . . 0.454 HH11 ' HB ' ' B' ' 43' ' ' VAL . 4.7 ptm180 -156.29 169.83 23.66 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-O 120.922 0.392 . . . . 0.0 110.983 179.777 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 14.7 t -75.8 162.23 28.35 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.907 175.478 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 47' ' ' ARG . . . . . 0.521 ' N ' ' HD3' ' B' ' 47' ' ' ARG . 0.3 OUTLIER -74.18 -25.35 59.66 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.327 -172.646 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -55.18 -35.25 64.61 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.207 175.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -64.78 -43.5 93.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.248 -176.354 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.517 HG23 HD11 ' B' ' 17' ' ' LEU . 3.0 mp -61.87 -51.7 69.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.389 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.43 HG23 ' CG ' ' B' ' 66' ' ' PHE . 68.7 mt -56.71 -42.36 76.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.653 179.181 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -63.59 -46.17 87.07 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.202 -0.908 . . . . 0.0 112.607 -174.779 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 85.6 m-70 -68.67 -27.33 65.89 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 120.299 -0.56 . . . . 0.0 111.559 -178.629 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 54' ' ' LEU . . . . . 0.498 HD22 HD11 ' B' ' 59' ' ' LEU . 70.0 mt -72.82 -46.02 55.32 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.235 0.541 . . . . 0.0 110.501 -176.326 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 55' ' ' VAL . . . . . 0.516 HG11 ' C ' ' B' ' 62' ' ' SER . 20.3 m -74.5 -24.78 18.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 121.416 0.627 . . . . 0.0 110.414 179.634 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -83.72 -17.84 39.91 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.098 178.377 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 7.1 ttp -90.55 5.51 47.5 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.455 0.645 . . . . 0.0 110.288 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 77.41 2.41 79.56 Favored Glycine 0 N--CA 1.453 -0.232 0 CA-C-N 115.859 -0.61 . . . . 0.0 113.651 172.71 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.498 HD11 HD22 ' B' ' 54' ' ' LEU . 4.4 pp -90.55 -13.32 34.78 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.113 0.482 . . . . 0.0 110.256 178.377 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -137.14 166.2 24.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.862 174.617 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -83.74 -67.62 0.78 Allowed 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -176.575 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 62' ' ' SER . . . . . 0.516 ' C ' HG11 ' B' ' 55' ' ' VAL . 52.4 m -151.31 171.77 16.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.992 -173.307 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 38.7 t -58.02 -30.65 39.33 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.386 0 CA-C-O 121.484 0.659 . . . . 0.0 109.503 173.721 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 64' ' ' LYS . . . . . 0.427 ' H ' ' HG3' ' B' ' 64' ' ' LYS . 36.0 mttp -65.29 -21.76 66.76 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.77 -1.105 . . . . 0.0 111.025 -178.734 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -80.01 -31.09 39.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.38 0.61 . . . . 0.0 110.008 -179.628 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 66' ' ' PHE . . . . . 0.544 ' HD1' HG22 ' B' ' 33' ' ' VAL . 20.2 m-85 . . . . . 0 CA--C 1.511 -0.53 0 CA-C-O 122.132 0.968 . . . . 0.0 109.931 174.571 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.449 -0.513 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.54 ' O ' ' HG ' ' B' ' 75' ' ' LEU . 0.7 OUTLIER -49.02 108.15 0.17 Allowed 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 121.287 0.565 . . . . 0.0 111.15 -178.185 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 76' ' ' TRP . . . . . 0.549 ' CH2' HD22 ' B' ' 84' ' ' LEU . 64.4 m95 -101.64 112.32 24.86 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.298 -177.616 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 77' ' ' THR . . . . . 0.589 ' O ' ' HG3' ' B' ' 81' ' ' GLU . 73.9 p -97.99 153.93 18.04 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 172.34 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -53.39 -34.76 49.22 Favored Glycine 0 C--N 1.329 0.176 0 C-N-CA 121.004 -0.617 . . . . 0.0 112.247 -178.731 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -67.27 -50.11 61.74 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.497 -0.352 . . . . 0.0 110.746 176.386 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -65.66 -33.3 75.56 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.819 -178.291 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 81' ' ' GLU . . . . . 0.589 ' HG3' ' O ' ' B' ' 77' ' ' THR . 78.7 mt-10 -62.62 -40.43 96.93 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.079 0.466 . . . . 0.0 109.927 177.186 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 41.3 tp -66.73 -40.84 88.52 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.593 176.554 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -58.96 -36.52 74.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.48 177.6 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 84' ' ' LEU . . . . . 0.549 HD22 ' CH2' ' B' ' 76' ' ' TRP . 58.7 tp -64.56 -50.49 67.1 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.862 173.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -55.58 -53.52 55.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.837 -177.6 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 55.0 mtm180 -63.91 -40.33 96.23 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.731 -174.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 87' ' ' LEU . . . . . 0.492 ' O ' ' HB2' ' B' ' 90' ' ' GLU . 1.4 mp -73.13 -30.35 63.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.15 0.5 . . . . 0.0 110.613 178.346 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.608 ' O ' ' HB2' ' B' ' 92' ' ' ARG . 12.9 t80 -59.98 -36.2 76.65 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.257 174.884 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -80.14 -32.75 38.91 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.016 0.436 . . . . 0.0 110.695 177.331 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 90' ' ' GLU . . . . . 0.492 ' HB2' ' O ' ' B' ' 87' ' ' LEU . 12.5 mm-40 -49.39 -52.73 26.56 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.254 -0.884 . . . . 0.0 112.236 178.262 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -109.28 17.5 21.46 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.091 0.472 . . . . 0.0 111.13 -175.449 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 92' ' ' ARG . . . . . 0.608 ' HB2' ' O ' ' B' ' 88' ' ' PHE . 37.8 ttt85 -66.91 -27.63 67.65 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.354 -177.671 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -89.28 12.42 16.12 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.176 0.512 . . . . 0.0 110.816 -179.072 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 15.2 m -103.71 176.25 5.21 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 176.119 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -77.59 -26.95 51.13 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.591 -179.163 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 96' ' ' ASP . . . . . 0.47 ' HA ' ' HB2' ' B' ' 131' ' ' TYR . 21.2 t70 -135.91 105.94 6.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.042 0.448 . . . . 0.0 110.277 176.736 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 97' ' ' VAL . . . . . 0.616 ' O ' HG13 ' B' ' 101' ' ' ILE . 11.8 p -77.5 -40.18 28.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.388 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 98' ' ' LEU . . . . . 0.464 HD12 HG13 ' B' ' 97' ' ' VAL . 3.1 mp -68.81 -44.86 72.65 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 -167.73 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 99' ' ' GLY . . . . . 0.54 ' O ' ' HD3' ' B' ' 103' ' ' LYS . . . -62.63 -28.43 71.45 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.313 -0.946 . . . . 0.0 112.07 -178.074 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 55.7 m-70 -84.67 -27.54 27.02 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -178.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 101' ' ' ILE . . . . . 0.616 HG13 ' O ' ' B' ' 97' ' ' VAL . 78.2 mt -62.75 -54.12 37.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 171.811 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 102' ' ' MET . . . . . 0.416 ' HG3' ' O ' ' B' ' 98' ' ' LEU . 49.0 mtp -59.47 -37.08 77.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.858 -172.718 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 103' ' ' LYS . . . . . 0.54 ' HD3' ' O ' ' B' ' 99' ' ' GLY . 14.3 mptt -84.87 -16.56 40.84 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 -178.027 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -110.97 10.31 22.21 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -177.105 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 105' ' ' ILE . . . . . 0.456 HG23 ' O ' ' B' ' 107' ' ' ALA . 9.7 tp -113.7 154.16 15.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.158 0.504 . . . . 0.0 111.016 179.446 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 106' ' ' THR . . . . . 0.412 ' N ' HG13 ' B' ' 105' ' ' ILE . 13.4 t -61.35 -32.56 72.45 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.312 -0.858 . . . . 0.0 112.164 -176.579 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 107' ' ' ALA . . . . . 0.456 ' O ' HG23 ' B' ' 105' ' ' ILE . . . -111.54 127.0 55.58 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.998 -0.281 . . . . 0.0 110.432 179.308 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.65 101.44 11.52 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.33 0.586 . . . . 0.0 109.934 179.001 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 109' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' B' ' 109' ' ' ARG . 40.7 mtt180 -97.11 175.46 6.29 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.266 -176.14 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 46.9 t -100.9 155.97 17.64 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.441 177.409 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 22.2 mmt85 -58.76 -51.22 70.89 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.005 -178.06 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -64.82 -19.71 66.0 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.861 0.362 . . . . 0.0 111.923 -175.676 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -83.56 -36.26 24.11 Favored 'General case' 0 CA--C 1.511 -0.528 0 CA-C-O 121.188 0.518 . . . . 0.0 110.162 177.416 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 114' ' ' ILE . . . . . 0.452 HG21 ' HG ' ' B' ' 98' ' ' LEU . 74.0 mt -71.16 -49.03 51.43 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.779 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.659 -176.571 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 115' ' ' VAL . . . . . 0.546 ' O ' HD23 ' B' ' 119' ' ' LEU . 26.8 m -64.02 -38.77 83.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.686 179.587 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -58.56 -43.87 89.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.191 0.519 . . . . 0.0 110.48 177.356 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 117' ' ' LYS . . . . . 0.435 ' HD3' ' CD1' ' B' ' 76' ' ' TRP . 50.7 tptt -67.66 -40.2 84.5 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.882 179.754 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 2.6 mp -57.69 -47.31 82.7 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.847 0.356 . . . . 0.0 111.531 178.598 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 119' ' ' LEU . . . . . 0.546 HD23 ' O ' ' B' ' 115' ' ' VAL . 4.5 mm? -68.1 -26.2 65.7 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.765 -178.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -81.47 -38.2 26.74 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.321 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 96.6 mt -69.98 -24.18 63.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.364 175.089 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 78.56 34.9 34.11 Favored Glycine 0 N--CA 1.441 -0.988 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 -175.572 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 74.5 mt -79.19 -24.17 43.36 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.458 0.647 . . . . 0.0 109.383 177.662 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 124' ' ' VAL . . . . . 0.432 HG21 ' CD2' ' B' ' 130' ' ' LEU . 16.0 m -144.89 176.81 2.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 114.716 -1.129 . . . . 0.0 109.652 179.218 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -115.17 -18.16 11.21 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.198 0.523 . . . . 0.0 110.048 177.261 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 126' ' ' GLU . . . . . 0.433 ' CG ' ' HG3' ' B' ' 129' ' ' GLU . 14.4 pt-20 -147.32 170.43 17.33 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.206 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 127' ' ' ARG . . . . . 0.498 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 0.3 OUTLIER -77.84 -20.56 52.89 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 179.71 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 128' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' B' ' 128' ' ' ARG . 13.5 ttm-85 -61.02 -43.93 98.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.949 0.405 . . . . 0.0 112.043 -178.005 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 129' ' ' GLU . . . . . 0.433 ' HG3' ' CG ' ' B' ' 126' ' ' GLU . 40.2 mt-10 -60.3 -29.56 68.92 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 -169.408 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 130' ' ' LEU . . . . . 0.498 ' HG ' ' O ' ' B' ' 127' ' ' ARG . 0.1 OUTLIER -84.6 -40.49 17.44 Favored 'General case' 0 C--N 1.314 -0.945 0 C-N-CA 120.725 -0.39 . . . . 0.0 111.418 -173.597 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 131' ' ' TYR . . . . . 0.47 ' HB2' ' HA ' ' B' ' 96' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 C-N-CA 119.325 -0.95 . . . . 0.0 113.492 -174.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 66.8 m95 . . . . . 0 CA--C 1.518 -0.265 0 CA-C-O 121.284 0.564 . . . . 0.0 111.796 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 45.0 p -96.66 151.86 38.18 Favored Pre-proline 0 C--N 1.316 -0.879 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 168.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_exo -56.93 -28.98 80.43 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 121.92 1.747 . . . . 0.0 111.345 178.131 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -65.27 -42.87 92.8 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.361 176.671 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -75.72 -35.58 60.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.524 -178.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -67.15 -31.59 72.12 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.1 0.476 . . . . 0.0 110.204 176.259 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.41 -34.13 77.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.124 0.488 . . . . 0.0 110.158 173.582 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.52 ' HA ' ' CB ' ' B' ' 19' ' ' GLU . 12.0 t-160 -76.24 -27.84 56.92 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.349 176.371 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.529 HD11 HG23 ' B' ' 50' ' ' ILE . 27.4 tp -64.48 -47.93 77.14 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 176.379 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 18' ' ' ARG . . . . . 0.696 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 13.1 ptt180 -75.13 -27.57 59.83 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.001 175.692 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 19' ' ' GLU . . . . . 0.52 ' CB ' ' HA ' ' B' ' 16' ' ' HIS . 11.1 tp10 -50.37 -52.2 39.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.508 0.671 . . . . 0.0 110.038 176.428 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.447 ' HB3' HG12 ' B' ' 36' ' ' ILE . 0.3 OUTLIER -70.53 -32.72 70.29 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 114.889 -1.05 . . . . 0.0 111.437 -178.48 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 65.8 t80 -71.36 -51.55 23.54 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-O 120.823 0.344 . . . . 0.0 110.328 -178.596 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.696 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 49.1 mt -59.46 -28.54 67.07 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.4 -178.444 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.73 -46.26 38.6 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.731 179.522 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 -97.68 -2.32 41.65 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -171.624 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 14.6 ptmm? -71.71 -12.41 61.3 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.07 0.462 . . . . 0.0 110.961 -179.331 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -96.94 6.69 48.17 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.338 0.589 . . . . 0.0 110.488 -176.193 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 42.6 t -112.94 108.3 25.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.092 -176.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -80.28 141.21 35.74 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.841 -179.038 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 92.93 -19.34 52.51 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.521 178.165 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -91.88 144.13 25.79 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-O 120.959 0.409 . . . . 0.0 110.356 178.805 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -69.16 95.72 0.77 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.686 172.806 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 32' ' ' VAL . . . . . 0.574 ' O ' HG13 ' B' ' 36' ' ' ILE . 9.8 p -62.32 -39.06 82.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 C-N-CA 120.605 -0.438 . . . . 0.0 109.973 179.325 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 33' ' ' VAL . . . . . 0.851 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 1.8 m -65.01 -49.18 80.9 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.542 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.104 -179.578 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 47.5 tp10 -66.37 -32.5 73.92 Favored 'General case' 0 CA--C 1.521 -0.138 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 -178.169 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.35 -49.5 74.2 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.696 173.369 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.574 HG13 ' O ' ' B' ' 32' ' ' VAL . 48.1 mt -68.39 -57.45 9.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.839 -179.519 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.851 ' HG ' ' O ' ' B' ' 33' ' ' VAL . 14.9 mt -48.09 -40.14 22.42 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 123.557 0.536 . . . . 0.0 111.466 -175.863 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -89.06 -40.29 13.06 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 -171.496 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 33.8 m80 -74.9 -24.98 58.61 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.726 -0.39 . . . . 0.0 111.904 -171.189 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' B' ' 36' ' ' ILE . 0.8 OUTLIER -99.04 80.64 2.49 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-O 121.948 0.88 . . . . 0.0 110.224 172.464 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -85.89 39.34 0.8 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 122.206 1.003 . . . . 0.0 108.876 -179.285 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 2.7 t -100.42 -17.26 17.28 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.226 -1.352 . . . . 0.0 109.756 -178.345 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 43' ' ' VAL . . . . . 0.515 ' HB ' HH11 ' B' ' 45' ' ' ARG . 2.8 m -131.56 105.69 14.39 Favored Pre-proline 0 N--CA 1.449 -0.503 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.521 -178.184 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_exo -73.19 101.31 1.33 Allowed 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.758 2.305 . . . . 0.0 110.531 172.046 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 45' ' ' ARG . . . . . 0.515 HH11 ' HB ' ' B' ' 43' ' ' VAL . 0.3 OUTLIER -155.97 176.76 12.23 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.173 0.511 . . . . 0.0 111.814 -174.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 46' ' ' THR . . . . . 0.538 ' OG1' ' HG3' ' B' ' 49' ' ' GLN . 71.3 p -75.3 147.38 40.24 Favored 'General case' 0 N--CA 1.441 -0.925 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.545 178.457 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 47' ' ' ARG . . . . . 0.456 ' HB3' HD13 ' B' ' 37' ' ' LEU . 8.8 mmt180 -68.68 -29.45 67.91 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.144 0.497 . . . . 0.0 109.795 -173.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -51.36 -35.99 41.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.064 -0.971 . . . . 0.0 111.487 176.359 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.538 ' HG3' ' OG1' ' B' ' 46' ' ' THR . 52.9 mt-30 -64.59 -45.12 88.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.263 -175.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.529 HG23 HD11 ' B' ' 17' ' ' LEU . 1.8 mp -56.24 -51.73 59.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 O-C-N 123.175 0.297 . . . . 0.0 110.791 -179.377 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.497 HG23 ' CD1' ' B' ' 66' ' ' PHE . 2.9 mp -59.51 -43.99 91.98 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 CA-C-O 121.176 0.513 . . . . 0.0 110.282 179.285 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -64.38 -45.52 87.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.614 -176.034 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 53' ' ' HIS . . . . . 0.444 ' HB2' ' CD2' ' B' ' 17' ' ' LEU . 74.8 m-70 -67.31 -26.55 66.58 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 120.741 -0.384 . . . . 0.0 111.065 -176.567 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 54' ' ' LEU . . . . . 0.468 HD22 HD11 ' B' ' 59' ' ' LEU . 65.1 mt -74.43 -46.92 36.86 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.723 -179.357 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 55' ' ' VAL . . . . . 0.437 HG11 ' C ' ' B' ' 62' ' ' SER . 21.1 m -73.07 -19.73 18.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.284 0.564 . . . . 0.0 110.539 178.433 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -84.05 -18.62 36.4 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.912 175.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 6.1 ttp -94.01 10.9 31.67 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.333 0.587 . . . . 0.0 111.1 -175.747 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 68.84 21.63 75.19 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.978 -0.629 . . . . 0.0 113.452 173.068 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.468 HD11 HD22 ' B' ' 54' ' ' LEU . 3.8 pp -109.57 -16.11 14.03 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.428 0.632 . . . . 0.0 109.829 176.38 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -134.99 150.19 50.3 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.112 -0.949 . . . . 0.0 109.131 175.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -78.11 -56.57 4.37 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -175.472 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 62' ' ' SER . . . . . 0.437 ' C ' HG11 ' B' ' 55' ' ' VAL . 13.2 m -149.21 172.07 15.44 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.797 -0.361 . . . . 0.0 111.548 -174.702 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 39.8 t -57.45 -28.16 30.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.933 179.541 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 64' ' ' LYS . . . . . 0.428 ' HG3' ' H ' ' B' ' 64' ' ' LYS . 28.8 mttm -61.54 -21.49 64.31 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.579 -176.619 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -66.9 -27.79 67.78 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.719 0.771 . . . . 0.0 109.995 178.372 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 66' ' ' PHE . . . . . 0.497 ' CD1' HG23 ' B' ' 51' ' ' ILE . 73.5 m-85 . . . . . 0 C--N 1.323 -0.56 0 CA-C-N 114.865 -1.061 . . . . 0.0 110.671 -177.05 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 27.9 m . . . . . 0 N--CA 1.438 -1.043 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -48.51 95.57 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.687 0.756 . . . . 0.0 111.37 -172.365 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 76' ' ' TRP . . . . . 0.488 ' HE1' ' HD2' ' B' ' 113' ' ' ARG . 18.2 m95 -91.35 108.71 20.07 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.205 -171.864 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 65.1 p -112.16 168.09 9.89 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.431 176.451 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.51 -38.41 80.41 Favored Glycine 0 CA--C 1.517 0.176 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.226 178.197 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 79' ' ' ASP . . . . . 0.446 ' O ' ' HG3' ' B' ' 83' ' ' GLU . 3.0 m-20 -63.05 -57.05 11.96 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.935 0.398 . . . . 0.0 110.632 178.284 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 80' ' ' GLN . . . . . 0.462 ' HG3' HH21 ' B' ' 109' ' ' ARG . 24.8 tt0 -61.11 -34.97 75.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.574 -177.076 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -66.93 -44.16 81.4 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.159 178.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 3.2 tt -61.42 -31.54 71.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.779 177.824 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 83' ' ' GLU . . . . . 0.446 ' HG3' ' O ' ' B' ' 79' ' ' ASP . 53.5 mt-10 -61.48 -56.41 20.46 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.885 0.374 . . . . 0.0 110.644 176.515 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 45.6 tp -59.11 -40.81 86.52 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.252 -173.031 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -55.64 -52.11 64.92 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 123.344 0.403 . . . . 0.0 110.889 179.198 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 86' ' ' ARG . . . . . 0.44 ' O ' ' HG2' ' B' ' 90' ' ' GLU . 50.0 mtm105 -60.55 -54.95 39.31 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.811 -175.635 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 87' ' ' LEU . . . . . 0.4 ' HB3' HG12 ' B' ' 101' ' ' ILE . 7.5 mp -61.89 -38.05 86.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.54 -176.419 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.639 ' CE1' ' HB3' ' B' ' 123' ' ' LEU . 11.5 t80 -54.79 -45.03 74.26 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.323 178.395 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -71.55 -35.17 70.54 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.596 -0.274 . . . . 0.0 111.498 -176.735 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 90' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' B' ' 86' ' ' ARG . 8.7 pt-20 -88.42 -19.58 26.37 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.649 -0.421 . . . . 0.0 111.951 -171.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -104.6 8.67 35.38 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.206 0.527 . . . . 0.0 110.27 173.551 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 92' ' ' ARG . . . . . 0.456 ' HB2' ' O ' ' B' ' 88' ' ' PHE . 53.3 ttt180 -67.89 -22.7 65.08 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.838 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -95.65 10.76 35.68 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.162 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 38.7 m -102.9 177.48 4.83 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.279 -177.779 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -67.68 -38.88 84.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.959 -174.678 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -143.84 108.3 4.83 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 173.094 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 97' ' ' VAL . . . . . 0.557 ' O ' HG13 ' B' ' 101' ' ' ILE . 3.5 p -63.31 -41.83 94.16 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.268 -175.223 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 98' ' ' LEU . . . . . 0.426 ' O ' ' HB ' ' B' ' 101' ' ' ILE . 4.7 mp -67.28 -43.14 82.54 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 111.706 0.261 . . . . 0.0 111.706 -175.647 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 99' ' ' GLY . . . . . 0.634 ' O ' ' HD3' ' B' ' 103' ' ' LYS . . . -63.26 -42.41 99.31 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 121.08 -0.581 . . . . 0.0 112.074 179.796 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 31.5 m-70 -71.2 -30.57 66.55 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 101' ' ' ILE . . . . . 0.557 HG13 ' O ' ' B' ' 97' ' ' VAL . 48.6 mt -57.64 -56.8 13.32 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.237 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.772 170.857 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 102' ' ' MET . . . . . 0.445 ' HE3' ' HG3' ' B' ' 111' ' ' ARG . 50.9 mtt -55.1 -40.95 71.02 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.094 -0.503 . . . . 0.0 112.349 -175.572 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 103' ' ' LYS . . . . . 0.634 ' HD3' ' O ' ' B' ' 99' ' ' GLY . 5.1 mptp? -69.94 -34.97 74.14 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.531 -178.676 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 48.6 m-80 -100.72 3.09 42.02 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -174.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 105' ' ' ILE . . . . . 0.49 HG13 ' H ' ' B' ' 107' ' ' ALA . 10.8 tp -104.09 148.09 9.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.156 0.503 . . . . 0.0 111.005 -178.159 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.0 -37.52 64.38 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.701 -178.723 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 107' ' ' ALA . . . . . 0.49 ' H ' HG13 ' B' ' 105' ' ' ILE . . . -86.88 128.71 35.05 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-O 120.789 0.328 . . . . 0.0 110.765 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.91 101.05 13.67 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 176.68 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 109' ' ' ARG . . . . . 0.462 HH21 ' HG3' ' B' ' 80' ' ' GLN . 33.2 mtt180 -111.82 166.01 11.57 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.438 -175.696 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 110' ' ' SER . . . . . 0.475 ' O ' HG13 ' B' ' 114' ' ' ILE . 42.8 t -98.68 154.58 17.85 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 176.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 111' ' ' ARG . . . . . 0.445 ' HG3' ' HE3' ' B' ' 102' ' ' MET . 73.6 mtt180 -63.75 -38.12 89.92 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -175.071 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -55.53 -38.4 69.19 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.362 0.601 . . . . 0.0 111.11 178.475 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 113' ' ' ARG . . . . . 0.694 ' O ' ' HD3' ' B' ' 113' ' ' ARG . 6.8 tpp180 -84.65 -24.12 29.19 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.506 -178.468 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 114' ' ' ILE . . . . . 0.475 HG13 ' O ' ' B' ' 110' ' ' SER . 87.2 mt -73.86 -49.78 32.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 122.036 -0.415 . . . . 0.0 110.837 175.312 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 115' ' ' VAL . . . . . 0.515 ' O ' HD23 ' B' ' 119' ' ' LEU . 30.1 m -62.28 -38.83 82.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.18 -175.843 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 116' ' ' ASP . . . . . 0.402 ' HB3' ' NH1' ' B' ' 113' ' ' ARG . 20.5 t70 -67.21 -34.8 78.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.209 0.528 . . . . 0.0 110.297 179.14 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 117' ' ' LYS . . . . . 0.409 ' HE3' HD11 ' B' ' 121' ' ' LEU . 52.3 tptt -70.03 -33.67 72.27 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.022 -176.577 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 118' ' ' LEU . . . . . 0.427 HD12 HD13 ' B' ' 130' ' ' LEU . 17.1 mt -60.63 -44.88 95.84 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 121.012 0.434 . . . . 0.0 110.289 176.662 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 119' ' ' LEU . . . . . 0.515 HD23 ' O ' ' B' ' 115' ' ' VAL . 4.4 mm? -60.89 -28.93 69.25 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.942 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.96 -38.93 52.34 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.031 -177.848 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 121' ' ' LEU . . . . . 0.409 HD11 ' HE3' ' B' ' 117' ' ' LYS . 11.0 mp -75.21 -25.34 58.09 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.764 175.658 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 80.55 32.8 32.92 Favored Glycine 0 N--CA 1.446 -0.682 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 -173.373 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 123' ' ' LEU . . . . . 0.639 ' HB3' ' CE1' ' B' ' 88' ' ' PHE . 78.4 mt -78.29 -24.41 46.74 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-O 121.748 0.785 . . . . 0.0 109.244 179.083 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 124' ' ' VAL . . . . . 0.487 HG11 HD22 ' B' ' 130' ' ' LEU . 29.0 m -137.13 168.01 22.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 114.229 -1.35 . . . . 0.0 109.839 175.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -99.48 -20.28 16.5 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 115.685 -0.688 . . . . 0.0 109.982 177.771 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 126' ' ' GLU . . . . . 0.457 ' OE2' ' HB3' ' B' ' 128' ' ' ARG . 16.5 pt-20 -160.21 177.99 10.1 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.05 -176.636 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 127' ' ' ARG . . . . . 0.658 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 0.3 OUTLIER -77.79 -25.65 49.12 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.741 0.305 . . . . 0.0 111.485 -179.337 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 128' ' ' ARG . . . . . 0.457 ' HB3' ' OE2' ' B' ' 126' ' ' GLU . 15.7 ttt180 -55.81 -35.54 66.44 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -178.878 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -69.1 -25.29 64.35 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.761 0.315 . . . . 0.0 111.657 -176.273 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 130' ' ' LEU . . . . . 0.658 ' HG ' ' O ' ' B' ' 127' ' ' ARG . 0.1 OUTLIER -99.93 14.44 30.46 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.343 0.592 . . . . 0.0 110.638 -178.482 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 131' ' ' TYR . . . . . 0.508 ' CE1' ' HB3' ' B' ' 127' ' ' ARG . 22.1 m-85 . . . . . 0 C--N 1.32 -0.714 0 N-CA-C 107.377 -1.342 . . . . 0.0 107.377 172.62 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 9' ' ' TRP . . . . . 0.506 ' CZ2' HG21 ' B' ' 43' ' ' VAL . 79.6 m95 . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.861 0.362 . . . . 0.0 110.605 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 14.6 m -68.83 151.33 97.31 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.336 173.309 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -47.73 -41.3 31.34 Favored 'Trans proline' 0 CA--C 1.53 0.319 0 C-N-CA 122.821 2.348 . . . . 0.0 113.01 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 12' ' ' GLU . . . . . 0.444 ' H ' ' CD ' ' B' ' 12' ' ' GLU . 1.7 mp0 -60.4 -42.71 96.5 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.095 0.474 . . . . 0.0 110.387 177.856 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -71.51 -32.7 68.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.216 -176.8 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 14' ' ' GLU . . . . . 0.413 ' O ' ' HB3' ' B' ' 17' ' ' LEU . 54.2 mt-10 -71.21 -34.4 70.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.057 0.456 . . . . 0.0 110.188 175.698 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.09 -28.6 67.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.234 0.54 . . . . 0.0 109.923 174.512 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.533 ' O ' ' HB3' ' B' ' 19' ' ' GLU . 11.5 t-160 -79.02 -31.42 44.67 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.1 175.43 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.543 HD11 HG23 ' B' ' 50' ' ' ILE . 27.6 tp -58.61 -53.47 57.96 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.626 174.27 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 18' ' ' ARG . . . . . 0.752 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 14.9 ptm180 -71.32 -28.39 64.06 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.547 177.155 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 19' ' ' GLU . . . . . 0.533 ' HB3' ' O ' ' B' ' 16' ' ' HIS . 8.6 tp10 -51.8 -50.03 61.56 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 121.66 0.743 . . . . 0.0 110.373 176.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.472 HD11 ' CB ' ' B' ' 39' ' ' HIS . 0.4 OUTLIER -73.62 -31.81 63.73 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.888 -1.051 . . . . 0.0 110.494 -177.894 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 21' ' ' TYR . . . . . 0.405 ' O ' ' HB3' ' B' ' 25' ' ' LYS . 71.3 t80 -68.94 -52.02 33.56 Favored 'General case' 0 C--O 1.222 -0.345 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.97 -179.729 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.752 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 49.1 mt -65.02 -22.42 66.99 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.84 -176.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.85 -37.26 62.26 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.772 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 -119.69 15.09 12.71 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -174.828 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.405 ' HB3' ' O ' ' B' ' 21' ' ' TYR . 14.9 ptmm? -72.47 -22.98 60.99 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.001 0.429 . . . . 0.0 111.426 -175.879 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -95.18 4.68 53.33 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.268 -175.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 37.8 t -90.48 108.01 19.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 178.575 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -89.22 135.53 33.52 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.594 -177.021 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.95 19.65 39.17 Favored Glycine 0 N--CA 1.447 -0.586 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -176.453 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -132.54 145.31 51.04 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.279 -0.46 . . . . 0.0 110.429 -177.661 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -77.59 95.27 4.52 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 173.001 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 32' ' ' VAL . . . . . 0.471 ' O ' HG13 ' B' ' 36' ' ' ILE . 4.3 p -63.44 -27.92 43.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 178.256 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 33' ' ' VAL . . . . . 0.783 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 1.7 t -62.73 -60.61 2.48 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.126 178.273 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.449 ' HA ' HD12 ' B' ' 37' ' ' LEU . 7.1 tp10 -61.0 -33.68 73.63 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.513 -177.235 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.46 -47.16 69.99 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.41 0.624 . . . . 0.0 109.599 175.316 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.479 ' O ' ' HG ' ' B' ' 40' ' ' LEU . 51.3 mt -74.14 -57.74 6.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.821 179.358 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.783 ' HG ' ' O ' ' B' ' 33' ' ' VAL . 13.1 mt -46.62 -45.14 18.86 Favored 'General case' 0 N--CA 1.474 0.775 0 O-C-N 123.825 0.703 . . . . 0.0 111.494 -175.248 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.85 -25.89 21.93 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.214 -0.903 . . . . 0.0 113.405 -169.246 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 39' ' ' HIS . . . . . 0.472 ' CB ' HD11 ' B' ' 20' ' ' LEU . 27.4 m80 -85.98 -26.19 25.6 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.512 0.56 . . . . 0.0 112.512 -174.519 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' B' ' 36' ' ' ILE . 0.6 OUTLIER -97.81 83.28 3.15 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.917 0.865 . . . . 0.0 111.459 176.91 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 52.8 m-80 -83.41 39.7 0.68 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.64 0.733 . . . . 0.0 110.065 178.447 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 3.0 t -99.41 -10.98 21.56 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 114.73 -1.123 . . . . 0.0 109.198 175.798 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 43' ' ' VAL . . . . . 0.506 HG21 ' CZ2' ' B' ' 9' ' ' TRP . 2.0 m -140.37 103.14 6.6 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 115.136 -0.938 . . . . 0.0 111.508 -177.633 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -77.53 95.46 1.07 Allowed 'Trans proline' 0 CA--C 1.532 0.375 0 C-N-CA 122.072 1.848 . . . . 0.0 111.42 172.637 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 45' ' ' ARG . . . . . 0.48 ' CD ' ' HB ' ' B' ' 43' ' ' VAL . 6.0 ptm180 -153.05 168.86 24.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.075 0.464 . . . . 0.0 111.72 -176.622 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 11.6 t -65.88 160.81 22.53 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.747 -177.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 47' ' ' ARG . . . . . 0.448 ' HB3' HD13 ' B' ' 37' ' ' LEU . 9.7 mmm180 -72.81 -27.3 61.88 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.904 -171.688 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 30.3 ttpt -55.89 -37.14 68.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.141 -0.936 . . . . 0.0 111.47 176.436 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 69.9 mm-40 -58.89 -53.03 63.02 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.517 -175.739 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.543 HG23 HD11 ' B' ' 17' ' ' LEU . 3.0 mp -57.73 -49.07 82.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.849 -178.854 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.486 HG23 ' CG ' ' B' ' 66' ' ' PHE . 77.3 mt -56.02 -47.35 80.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 121.462 0.649 . . . . 0.0 110.584 178.366 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 52' ' ' HIS . . . . . 0.527 ' O ' ' HB2' ' B' ' 56' ' ' GLN . 0.1 OUTLIER -54.49 -50.26 68.21 Favored 'General case' 0 C--O 1.22 -0.499 0 CA-C-N 114.906 -1.043 . . . . 0.0 111.644 -178.521 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -73.23 -22.07 60.5 Favored 'General case' 0 C--N 1.314 -0.965 0 C-N-CA 120.961 -0.296 . . . . 0.0 111.542 -170.748 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 54' ' ' LEU . . . . . 0.447 ' CD2' HD11 ' B' ' 59' ' ' LEU . 79.7 mt -69.42 -50.47 45.51 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.806 0.336 . . . . 0.0 110.449 173.336 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 32.7 m -76.39 -31.16 20.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 C-N-CA 120.843 -0.343 . . . . 0.0 111.335 -178.64 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 56' ' ' GLN . . . . . 0.527 ' HB2' ' O ' ' B' ' 52' ' ' HIS . 0.0 OUTLIER -61.4 -29.77 70.14 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-O 121.021 0.438 . . . . 0.0 110.635 174.185 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 19.4 ttm -85.84 -0.64 55.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.957 -176.375 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 68.61 17.79 71.28 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 121.163 -0.541 . . . . 0.0 112.431 178.627 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.447 HD11 ' CD2' ' B' ' 54' ' ' LEU . 4.5 pp -99.09 -19.49 17.18 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.401 0.62 . . . . 0.0 109.889 178.495 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -115.99 168.27 10.23 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.172 -0.922 . . . . 0.0 109.791 175.203 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -81.35 -68.32 0.7 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.952 0.406 . . . . 0.0 111.764 -175.816 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 19.6 m -154.15 165.69 35.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.65 -173.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 63' ' ' VAL . . . . . 0.419 HG22 HG22 ' B' ' 51' ' ' ILE . 49.3 t -68.82 -24.93 29.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.327 177.268 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 46.4 mtpt -61.22 -34.39 75.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.428 -0.806 . . . . 0.0 111.215 -179.374 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -66.3 -31.48 72.31 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.055 -179.247 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 66' ' ' PHE . . . . . 0.486 ' CG ' HG23 ' B' ' 51' ' ' ILE . 19.9 m-85 . . . . . 0 C--N 1.325 -0.495 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.464 -176.045 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 74' ' ' VAL . . . . . 0.42 HG13 ' HD3' ' B' ' 113' ' ' ARG . 26.9 m . . . . . 0 N--CA 1.442 -0.863 0 N-CA-C 109.994 -0.372 . . . . 0.0 109.994 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -50.14 89.8 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.464 0.65 . . . . 0.0 111.862 179.741 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 76' ' ' TRP . . . . . 0.485 ' CH2' HD22 ' B' ' 84' ' ' LEU . 17.6 m95 -81.85 109.24 16.04 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 121.412 0.625 . . . . 0.0 110.018 -179.754 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 77' ' ' THR . . . . . 0.512 ' O ' ' HG3' ' B' ' 81' ' ' GLU . 70.9 p -114.35 163.25 15.55 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.374 179.745 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -54.83 -36.01 59.22 Favored Glycine 0 N--CA 1.453 -0.195 0 C-N-CA 120.512 -0.851 . . . . 0.0 111.924 177.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -72.26 -40.78 67.4 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.532 0.206 . . . . 0.0 110.749 178.531 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 80' ' ' GLN . . . . . 0.419 ' HG2' ' CZ3' ' B' ' 76' ' ' TRP . 25.5 tt0 -68.3 -36.52 79.47 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 121.052 -0.259 . . . . 0.0 110.796 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 81' ' ' GLU . . . . . 0.512 ' HG3' ' O ' ' B' ' 77' ' ' THR . 52.7 mt-10 -64.33 -35.14 79.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.957 0.408 . . . . 0.0 110.019 177.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 51.7 tp -68.43 -42.23 79.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.626 175.167 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -63.13 -27.56 69.46 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.667 177.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 84' ' ' LEU . . . . . 0.664 HD11 HG23 ' B' ' 114' ' ' ILE . 67.0 tp -72.37 -50.73 24.48 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 171.842 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -48.07 -61.36 2.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.936 179.101 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 72.8 mtt180 -56.86 -52.75 63.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.983 -174.756 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 7.3 mp -66.77 -32.82 74.35 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 111.871 0.323 . . . . 0.0 111.871 -176.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.508 ' CE1' ' HB3' ' B' ' 123' ' ' LEU . 13.8 t80 -55.34 -50.41 69.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.576 -0.283 . . . . 0.0 110.753 178.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -72.72 -38.02 67.6 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.841 0.353 . . . . 0.0 110.796 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -60.55 -28.33 68.35 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.547 -176.763 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -121.21 12.7 11.06 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.479 -179.639 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 92' ' ' ARG . . . . . 0.423 ' HB2' ' O ' ' B' ' 88' ' ' PHE . 53.9 ttt180 -66.64 -30.12 70.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.979 0.419 . . . . 0.0 111.094 -178.019 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -92.09 17.79 8.98 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.221 0.534 . . . . 0.0 111.013 -176.78 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 83.3 p -103.75 -178.87 3.79 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 176.071 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -66.48 -49.03 67.98 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.976 0.417 . . . . 0.0 110.884 -174.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -135.41 107.03 6.93 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.192 0.52 . . . . 0.0 109.825 177.192 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 97' ' ' VAL . . . . . 0.511 ' O ' HG13 ' B' ' 101' ' ' ILE . 2.9 p -65.32 -38.79 83.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.465 -0.789 . . . . 0.0 112.163 -175.055 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 98' ' ' LEU . . . . . 0.826 HD22 HG21 ' B' ' 114' ' ' ILE . 8.1 mt -69.82 -36.28 75.5 Favored 'General case' 0 N--CA 1.463 0.209 0 C-N-CA 120.501 -0.479 . . . . 0.0 111.26 -174.604 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 99' ' ' GLY . . . . . 0.704 ' O ' ' HD3' ' B' ' 103' ' ' LYS . . . -59.84 -44.46 97.04 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.625 -0.798 . . . . 0.0 111.416 175.753 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -68.77 -29.08 67.39 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 179.065 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 101' ' ' ILE . . . . . 0.607 ' O ' HG22 ' B' ' 105' ' ' ILE . 32.3 mt -60.41 -58.72 6.09 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.113 173.845 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 61.3 mtt -57.69 -37.59 73.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.666 0.269 . . . . 0.0 111.535 -176.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 103' ' ' LYS . . . . . 0.704 ' HD3' ' O ' ' B' ' 99' ' ' GLY . 4.6 mptp? -69.51 -34.01 73.66 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.491 -177.812 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -99.11 -25.88 14.39 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 -174.14 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 105' ' ' ILE . . . . . 0.607 HG22 ' O ' ' B' ' 101' ' ' ILE . 11.0 tp -91.5 149.86 3.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.579 0.704 . . . . 0.0 111.246 -177.113 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 8.1 t -69.72 -37.57 76.58 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-N 114.719 -1.128 . . . . 0.0 111.468 -177.478 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 107' ' ' ALA . . . . . 0.435 ' O ' HG23 ' B' ' 105' ' ' ILE . . . -84.86 128.62 34.7 Favored 'General case' 0 CA--C 1.513 -0.476 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -81.3 102.1 10.19 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 108.166 -1.049 . . . . 0.0 108.166 176.229 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 109' ' ' ARG . . . . . 0.542 ' HA ' HH11 ' B' ' 113' ' ' ARG . 47.8 mtt180 -107.26 118.59 37.1 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.394 -176.393 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 110' ' ' SER . . . . . 0.696 ' H ' ' NH1' ' B' ' 113' ' ' ARG . 27.1 t -64.45 158.31 24.2 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.037 178.638 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 111' ' ' ARG . . . . . 0.545 HH21 ' HB2' ' B' ' 98' ' ' LEU . 39.8 mtp180 -71.84 -35.44 69.88 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.132 -0.486 . . . . 0.0 112.203 -166.104 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 112' ' ' ALA . . . . . 0.443 ' O ' ' HB2' ' B' ' 116' ' ' ASP . . . -62.64 -29.57 70.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.966 0.412 . . . . 0.0 110.432 176.521 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 113' ' ' ARG . . . . . 0.696 ' NH1' ' H ' ' B' ' 110' ' ' SER . 55.4 mtt180 -71.06 -41.53 70.61 Favored 'General case' 0 CA--C 1.515 -0.383 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 179.204 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 114' ' ' ILE . . . . . 0.826 HG21 HD22 ' B' ' 98' ' ' LEU . 71.8 mt -70.66 -58.16 6.03 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.687 0 CA-C-N 114.652 -1.158 . . . . 0.0 111.833 -176.641 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 115' ' ' VAL . . . . . 0.601 ' O ' HD23 ' B' ' 119' ' ' LEU . 16.8 m -62.36 -34.04 62.26 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.642 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.64 -170.432 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 116' ' ' ASP . . . . . 0.443 ' HB2' ' O ' ' B' ' 112' ' ' ALA . 0.1 OUTLIER -73.62 -32.7 64.2 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.509 178.25 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 117' ' ' LYS . . . . . 0.473 ' HA ' ' HD2' ' B' ' 117' ' ' LYS . 11.7 tptm -79.29 -26.52 42.27 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 120.23 -0.588 . . . . 0.0 110.502 -177.022 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 118' ' ' LEU . . . . . 0.446 ' HB3' HG22 ' B' ' 124' ' ' VAL . 10.2 mt -60.82 -49.09 78.89 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-O 120.913 0.387 . . . . 0.0 110.74 174.303 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 119' ' ' LEU . . . . . 0.601 HD23 ' O ' ' B' ' 115' ' ' VAL . 4.6 mm? -59.51 -31.57 69.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.501 178.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -73.01 -46.13 53.81 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.968 -178.591 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 121' ' ' LEU . . . . . 0.456 HD13 ' O ' ' B' ' 117' ' ' LYS . 10.8 mp -66.04 -24.71 66.79 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.119 176.096 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 80.74 31.31 36.55 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.662 -0.78 . . . . 0.0 111.321 -174.309 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 123' ' ' LEU . . . . . 0.508 ' HB3' ' CE1' ' B' ' 88' ' ' PHE . 51.3 mt -80.39 -24.02 40.0 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-O 121.766 0.793 . . . . 0.0 109.364 179.129 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 124' ' ' VAL . . . . . 0.446 HG22 ' HB3' ' B' ' 118' ' ' LEU . 19.6 m -139.55 172.78 12.32 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-N 114.551 -1.204 . . . . 0.0 110.014 176.003 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -112.77 -17.94 12.42 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.312 178.004 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -149.27 168.25 23.84 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.642 178.718 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 127' ' ' ARG . . . . . 0.763 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 94.6 mtt180 -78.08 -20.93 51.31 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 121.103 -0.239 . . . . 0.0 111.25 178.543 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 128' ' ' ARG . . . . . . . . . . . . . 5.6 ttm180 -55.37 -39.52 70.19 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.813 0.339 . . . . 0.0 111.718 -178.724 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -62.07 -27.8 69.16 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.813 -175.344 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 130' ' ' LEU . . . . . 0.763 ' HG ' ' O ' ' B' ' 127' ' ' ARG . 0.1 OUTLIER -92.83 4.53 53.67 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.277 0.561 . . . . 0.0 110.959 -177.233 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 131' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 . . . . . 0 C--N 1.319 -0.747 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 171.059 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 9' ' ' TRP . . . . . 0.416 ' HB3' ' HG3' ' B' ' 14' ' ' GLU . 25.6 m95 . . . . . 0 C--O 1.234 0.237 0 CA-C-O 121.142 0.496 . . . . 0.0 111.945 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 18.8 m -75.05 150.14 85.52 Favored Pre-proline 0 N--CA 1.446 -0.664 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 171.568 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_exo -50.72 -40.4 56.28 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.631 2.221 . . . . 0.0 112.65 -178.079 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -59.02 -39.99 83.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.294 179.155 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -71.71 -37.67 70.63 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.303 -176.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 14' ' ' GLU . . . . . 0.416 ' HG3' ' HB3' ' B' ' 9' ' ' TRP . 32.1 mt-10 -74.86 -27.06 60.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.934 0.397 . . . . 0.0 110.516 177.292 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 15' ' ' ALA . . . . . 0.532 ' O ' ' HB2' ' B' ' 19' ' ' GLU . . . -68.5 -22.2 64.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.215 0.531 . . . . 0.0 109.691 172.807 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.492 ' HA ' ' CB ' ' B' ' 19' ' ' GLU . 17.8 t-160 -90.77 -28.28 18.35 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.355 176.134 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.43 ' CD2' ' HB2' ' B' ' 53' ' ' HIS . 32.2 tp -65.52 -46.28 80.23 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.489 174.433 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 18' ' ' ARG . . . . . 0.754 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 30.4 ptt180 -71.59 -30.94 66.39 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 175.593 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 19' ' ' GLU . . . . . 0.532 ' HB2' ' O ' ' B' ' 15' ' ' ALA . 10.2 tp10 -53.52 -50.51 65.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.236 -179.174 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.43 -26.17 59.9 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.923 -1.035 . . . . 0.0 110.899 -178.159 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 21' ' ' TYR . . . . . 0.457 ' HA ' HD11 ' B' ' 36' ' ' ILE . 82.9 t80 -71.81 -51.96 19.92 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-O 121.107 0.48 . . . . 0.0 110.038 178.314 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.754 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 27.6 mt -62.86 -18.93 63.62 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.972 -178.224 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.79 -38.54 32.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.093 178.304 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 49.4 m-80 -114.73 12.84 17.18 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -174.056 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.446 ' HD2' ' HA ' ' B' ' 22' ' ' LEU . 22.1 ptmt -68.73 -26.5 65.29 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -174.562 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -106.83 12.12 29.31 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.116 0.484 . . . . 0.0 110.66 -175.31 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 60.9 t -93.55 107.87 19.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.23 179.579 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -86.68 148.04 25.63 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.165 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 92.45 -3.93 76.05 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.703 -0.76 . . . . 0.0 111.516 -177.569 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 30' ' ' GLN . . . . . 0.443 ' HG2' ' N ' ' B' ' 31' ' ' ASP . 23.0 tt0 -130.77 147.82 52.47 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.875 0.369 . . . . 0.0 110.314 179.809 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 31' ' ' ASP . . . . . 0.443 ' N ' ' HG2' ' B' ' 30' ' ' GLN . 6.3 m-20 -76.29 109.29 9.86 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.655 170.701 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 32' ' ' VAL . . . . . 0.411 ' O ' HG13 ' B' ' 36' ' ' ILE . 7.8 p -58.94 -35.45 56.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 170.348 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 33' ' ' VAL . . . . . 0.668 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 3.8 t -53.51 -59.97 1.57 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.542 0 CA-C-N 114.191 -1.368 . . . . 0.0 110.524 178.334 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.531 ' HA ' ' CD1' ' B' ' 37' ' ' LEU . 38.9 tt0 -67.99 -34.66 76.97 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.795 -175.806 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.33 -42.16 73.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.664 0.745 . . . . 0.0 109.92 177.814 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.463 HD13 HD11 ' B' ' 54' ' ' LEU . 76.9 mt -72.98 -61.99 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 114.878 -1.055 . . . . 0.0 111.252 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.668 ' HG ' ' O ' ' B' ' 33' ' ' VAL . 3.3 pp -63.36 -18.99 64.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.605 -0.725 . . . . 0.0 112.678 -172.128 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 38' ' ' ALA . . . . . 0.42 ' N ' HD12 ' B' ' 37' ' ' LEU . . . -81.72 -50.38 9.35 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.712 0.291 . . . . 0.0 111.521 179.002 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 67.9 m80 -75.47 -29.35 59.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.824 0.345 . . . . 0.0 110.894 -173.811 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 1.4 mt -88.03 79.29 8.02 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.343 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -111.0 36.83 3.01 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 122.096 0.95 . . . . 0.0 109.025 172.363 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -82.31 -30.43 30.49 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 113.883 -1.508 . . . . 0.0 109.019 172.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -111.34 117.93 48.46 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 114.781 -1.1 . . . . 0.0 108.886 173.662 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -79.93 103.7 1.59 Allowed 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 122.161 1.907 . . . . 0.0 111.551 177.507 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 45' ' ' ARG . . . . . 0.472 HH11 ' HB2' ' B' ' 45' ' ' ARG . 0.0 OUTLIER -152.05 178.04 9.86 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.473 -175.908 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 11.5 t -78.34 162.41 26.5 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 173.051 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 47' ' ' ARG . . . . . 0.448 ' CG ' HD22 ' B' ' 37' ' ' LEU . 0.6 OUTLIER -66.93 -29.88 69.87 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.869 0.366 . . . . 0.0 110.654 -178.191 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -49.05 -31.45 7.78 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.982 176.14 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.462 ' HG3' ' CB ' ' B' ' 45' ' ' ARG . 46.8 mm-40 -59.33 -52.85 63.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.557 178.344 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.41 HG23 HD11 ' B' ' 17' ' ' LEU . 2.8 mp -53.69 -52.83 30.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.905 -177.631 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.432 HG22 HG22 ' B' ' 63' ' ' VAL . 3.6 mp -63.04 -43.21 98.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.215 -175.204 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -61.33 -46.59 89.62 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.879 -177.579 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 53' ' ' HIS . . . . . 0.43 ' HB2' ' CD2' ' B' ' 17' ' ' LEU . 76.2 m-70 -65.58 -36.89 85.07 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.611 -0.436 . . . . 0.0 111.606 -177.47 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 54' ' ' LEU . . . . . 0.463 HD11 HD13 ' B' ' 36' ' ' ILE . 80.3 mt -64.33 -45.94 85.65 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.084 0.468 . . . . 0.0 110.939 -176.452 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 55' ' ' VAL . . . . . 0.468 HG11 ' C ' ' B' ' 62' ' ' SER . 12.3 m -78.52 -23.62 13.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.308 0.575 . . . . 0.0 110.429 -178.761 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -78.36 -24.7 46.3 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.54 -0.754 . . . . 0.0 111.286 178.756 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 70.9 mtm -84.43 -2.09 56.64 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.955 0.407 . . . . 0.0 110.733 176.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 75.18 3.13 68.71 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 121.061 -0.59 . . . . 0.0 112.843 176.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.462 HD11 ' CD2' ' B' ' 54' ' ' LEU . 4.2 pp -85.94 -19.11 30.96 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.429 0.633 . . . . 0.0 110.008 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -116.3 170.4 8.56 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.518 173.504 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -83.25 -68.17 0.73 Allowed 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.726 -0.39 . . . . 0.0 111.695 -177.158 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 62' ' ' SER . . . . . 0.468 ' C ' HG11 ' B' ' 55' ' ' VAL . 31.7 m -158.0 165.63 34.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.718 -173.835 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 63' ' ' VAL . . . . . 0.432 HG22 HG22 ' B' ' 51' ' ' ILE . 69.1 t -61.99 -27.02 41.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.049 175.24 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 46.9 mtmt -57.94 -31.71 67.11 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.88 -1.054 . . . . 0.0 112.002 -178.354 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -82.49 -26.32 32.68 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.11 0.481 . . . . 0.0 110.864 -177.069 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 66' ' ' PHE . . . . . 0.45 ' CD1' HG22 ' B' ' 33' ' ' VAL . 17.1 m-85 . . . . . 0 C--N 1.327 -0.401 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.943 -176.352 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.439 -1.024 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 46.7 tp -52.36 89.94 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 -168.266 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 76' ' ' TRP . . . . . 0.544 ' CH2' HD22 ' B' ' 84' ' ' LEU . 96.3 m95 -89.66 109.1 20.1 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.977 0.418 . . . . 0.0 110.629 178.582 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 77' ' ' THR . . . . . 0.417 ' O ' ' HG3' ' B' ' 81' ' ' GLU . 42.8 p -111.43 167.34 10.39 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 108.72 -0.845 . . . . 0.0 108.72 173.364 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -53.95 -32.73 49.38 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.551 -0.833 . . . . 0.0 111.566 176.215 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -65.75 -55.31 17.96 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.47 -0.365 . . . . 0.0 110.616 176.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -66.39 -35.42 80.27 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.421 -177.133 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 81' ' ' GLU . . . . . 0.417 ' HG3' ' O ' ' B' ' 77' ' ' THR . 55.1 mt-10 -61.63 -39.63 91.98 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 176.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 82' ' ' LEU . . . . . 0.485 ' O ' ' HG3' ' B' ' 86' ' ' ARG . 30.7 tp -66.88 -43.52 83.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.499 176.569 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 83' ' ' GLU . . . . . 0.452 ' CD ' HH21 ' B' ' 86' ' ' ARG . 8.4 mm-40 -59.93 -41.58 92.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.717 179.529 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 84' ' ' LEU . . . . . 0.544 HD22 ' CH2' ' B' ' 76' ' ' TRP . 60.8 tp -63.05 -48.03 80.42 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 174.437 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 85' ' ' GLN . . . . . 0.446 ' O ' ' HG3' ' B' ' 89' ' ' GLU . 22.0 tm0? -54.07 -53.19 56.61 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.862 -179.102 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 86' ' ' ARG . . . . . 0.485 ' HG3' ' O ' ' B' ' 82' ' ' LEU . 40.2 mtm180 -61.05 -50.23 74.17 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.962 0.411 . . . . 0.0 111.451 -179.004 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 7.7 tp -66.81 -39.44 87.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.04 -173.776 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.636 ' CE2' ' HB3' ' B' ' 123' ' ' LEU . 1.0 OUTLIER -56.55 -41.45 76.85 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.726 179.518 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 89' ' ' GLU . . . . . 0.446 ' HG3' ' O ' ' B' ' 85' ' ' GLN . 33.1 mt-10 -69.24 -41.16 77.36 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.079 0.466 . . . . 0.0 110.388 178.446 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -65.83 -33.74 76.54 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.357 -0.838 . . . . 0.0 112.062 -172.011 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -112.75 17.06 19.37 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.952 -0.299 . . . . 0.0 111.059 -179.659 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 92' ' ' ARG . . . . . 0.609 ' HB2' ' O ' ' B' ' 88' ' ' PHE . 18.9 ttt180 -73.78 -16.34 61.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.697 0.76 . . . . 0.0 109.664 177.192 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -71.66 -1.41 13.64 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.794 -1.093 . . . . 0.0 110.59 174.008 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 19.2 m -103.85 157.35 17.14 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.03 178.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -79.01 -5.87 54.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.422 -177.695 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -147.98 79.42 1.46 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.089 0.471 . . . . 0.0 109.743 173.554 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 97' ' ' VAL . . . . . 0.558 ' O ' HG13 ' B' ' 101' ' ' ILE . 2.6 p -64.12 -34.66 70.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.387 -175.473 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 98' ' ' LEU . . . . . 0.517 HD12 HG13 ' B' ' 97' ' ' VAL . 7.3 mp -63.24 -33.25 75.09 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 121.052 -0.259 . . . . 0.0 111.362 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -69.0 -31.0 72.09 Favored Glycine 0 CA--C 1.509 -0.291 0 C-N-CA 120.707 -0.759 . . . . 0.0 111.571 176.819 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 51.9 m80 -79.3 -30.17 42.79 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 177.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 101' ' ' ILE . . . . . 0.558 HG13 ' O ' ' B' ' 97' ' ' VAL . 71.8 mt -62.03 -61.19 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.393 174.565 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 58.4 mtt -52.35 -43.54 64.69 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -175.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -74.71 -25.21 58.98 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.353 -0.385 . . . . 0.0 112.01 -176.243 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -104.02 -20.17 13.95 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -174.653 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 105' ' ' ILE . . . . . 0.446 HG22 ' O ' ' B' ' 101' ' ' ILE . 11.2 tp -91.24 158.58 2.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.45 0.643 . . . . 0.0 111.381 -175.778 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 106' ' ' THR . . . . . 0.446 ' N ' HG13 ' B' ' 105' ' ' ILE . 7.4 t -77.87 -16.46 58.25 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.839 -175.197 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -111.73 128.73 56.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.643 0.259 . . . . 0.0 111.31 -177.774 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.31 102.46 14.01 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 176.013 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 35.8 mtt180 -108.87 179.44 4.18 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.077 -176.108 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 4.3 m -99.32 152.2 20.2 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.266 179.671 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 10.1 mmt180 -58.48 -50.72 72.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.016 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -60.73 -30.5 70.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.187 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 113' ' ' ARG . . . . . 0.538 ' HA ' ' HE ' ' B' ' 113' ' ' ARG . 0.0 OUTLIER -74.25 -33.06 63.19 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.439 -178.862 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 78.4 mt -78.96 -44.35 24.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.232 179.37 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 115' ' ' VAL . . . . . 0.417 HG22 ' CD1' ' B' ' 130' ' ' LEU . 49.5 t -55.94 -54.02 31.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.889 176.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -58.04 -36.95 73.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.64 -178.734 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 117' ' ' LYS . . . . . 0.428 ' HE3' HD11 ' B' ' 121' ' ' LEU . 40.8 tptt -68.28 -39.71 82.03 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.045 -176.593 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 118' ' ' LEU . . . . . 0.437 HD12 HD22 ' B' ' 130' ' ' LEU . 20.5 mt -60.81 -50.23 74.29 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 120.94 0.4 . . . . 0.0 110.349 177.318 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -58.54 -35.4 72.25 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.8 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -74.25 -42.37 59.78 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.245 -177.063 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 121' ' ' LEU . . . . . 0.428 HD11 ' HE3' ' B' ' 117' ' ' LYS . 8.8 mp -70.98 -25.72 62.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.131 0.491 . . . . 0.0 111.093 176.553 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 82.68 33.4 24.84 Favored Glycine 0 N--CA 1.442 -0.911 0 C-N-CA 120.508 -0.853 . . . . 0.0 111.088 -173.199 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 123' ' ' LEU . . . . . 0.636 ' HB3' ' CE2' ' B' ' 88' ' ' PHE . 55.0 mt -80.03 -27.75 39.43 Favored 'General case' 0 CA--C 1.511 -0.544 0 N-CA-C 108.204 -1.035 . . . . 0.0 108.204 177.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 124' ' ' VAL . . . . . 0.441 HG21 ' CD2' ' B' ' 130' ' ' LEU . 35.8 m -136.57 165.5 28.48 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 113.43 -1.714 . . . . 0.0 108.372 172.213 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -105.99 -14.75 15.09 Favored 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 176.737 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 126' ' ' GLU . . . . . 0.425 ' O ' HD21 ' B' ' 130' ' ' LEU . 17.3 pt-20 -156.83 172.48 18.57 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.904 -176.875 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 127' ' ' ARG . . . . . 0.807 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 93.3 mtt180 -80.07 -20.33 45.43 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -176.09 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 128' ' ' ARG . . . . . . . . . . . . . 29.8 mtt180 -47.7 -49.39 28.05 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 121.133 0.492 . . . . 0.0 110.971 179.691 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -68.83 -12.52 61.62 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.348 -0.842 . . . . 0.0 112.824 -170.385 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 130' ' ' LEU . . . . . 0.807 ' HG ' ' O ' ' B' ' 127' ' ' ARG . 0.0 OUTLIER -88.89 -6.47 57.29 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.456 -177.745 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 131' ' ' TYR . . . . . . . . . . . . . 4.6 p90 . . . . . 0 C--N 1.327 -0.409 0 CA-C-O 121.515 0.674 . . . . 0.0 110.607 174.386 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' ASP . . . . . 0.65 ' OD2' ' HB2' ' B' ' 4' ' ' ARG . 6.5 p-10 . . . . . 0 N--CA 1.484 1.229 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_exo -43.25 -69.74 0.08 OUTLIER 'Trans proline' 0 C--N 1.354 0.857 0 C-N-CA 124.155 3.237 . . . . 0.0 116.248 -163.527 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 23.0 p -138.64 43.68 2.11 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.478 0.656 . . . . 0.0 111.555 -171.353 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' ARG . . . . . 0.65 ' HB2' ' OD2' ' B' ' 1' ' ' ASP . 17.0 mtp85 -121.24 -163.41 1.04 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.345 -178.641 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 5' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' B' ' 5' ' ' ARG . 0.2 OUTLIER -68.49 63.48 0.1 Allowed 'General case' 0 CA--C 1.543 0.684 0 CA-C-O 122.184 0.992 . . . . 0.0 111.276 176.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.568 ' HB3' ' O ' ' B' ' 44' ' ' PRO . . . -95.41 125.68 48.86 Favored Pre-proline 0 C--N 1.319 -0.747 0 O-C-N 121.716 -0.615 . . . . 0.0 111.711 -176.391 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 7' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' B' ' 6' ' ' ALA . 6.3 Cg_exo -84.19 119.6 2.45 Favored 'Trans proline' 0 N--CA 1.444 -1.39 0 C-N-CA 122.139 1.893 . . . . 0.0 113.518 169.24 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 14.1 m -136.53 92.35 2.75 Favored 'General case' 0 C--N 1.306 -1.316 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 158.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 75.9 m95 -137.5 166.39 23.98 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.579 0.704 . . . . 0.0 111.307 -169.5 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' SER . . . . . 0.515 ' H ' ' HB3' ' B' ' 13' ' ' GLU . 51.8 p -146.45 167.07 14.76 Favored Pre-proline 0 C--N 1.312 -1.029 0 N-CA-C 107.515 -1.291 . . . . 0.0 107.515 174.517 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -53.31 -32.77 62.79 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 121.749 1.633 . . . . 0.0 110.903 174.208 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 59.9 tt0 -73.6 -44.79 56.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.849 -1.069 . . . . 0.0 110.973 177.155 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.515 ' HB3' ' H ' ' B' ' 10' ' ' SER . 7.5 tp10 -66.13 -39.44 89.88 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.62 0.248 . . . . 0.0 111.119 -177.33 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -76.72 -21.91 54.61 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.443 -0.503 . . . . 0.0 110.443 178.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.43 -24.39 61.21 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.662 0.744 . . . . 0.0 109.366 169.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.53 ' O ' ' HB3' ' B' ' 19' ' ' GLU . 12.6 t-160 -82.88 -23.59 33.57 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.659 -1.155 . . . . 0.0 109.467 174.557 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.524 HD11 HG13 ' B' ' 50' ' ' ILE . 38.1 tp -73.69 -46.94 43.27 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 176.126 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 18' ' ' ARG . . . . . 0.816 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 9.4 ptm180 -67.1 -33.49 75.58 Favored 'General case' 0 N--CA 1.443 -0.785 0 N-CA-C 108.585 -0.895 . . . . 0.0 108.585 173.572 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 19' ' ' GLU . . . . . 0.53 ' HB3' ' O ' ' B' ' 16' ' ' HIS . 13.1 tp10 -49.87 -56.68 9.55 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.261 0.553 . . . . 0.0 110.481 177.268 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.96 -33.93 76.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.599 -179.221 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 21' ' ' TYR . . . . . 0.42 ' CD1' HD22 ' B' ' 54' ' ' LEU . 5.6 t80 -68.23 -49.23 62.11 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 -178.303 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.816 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 29.3 mt -63.9 -31.41 72.58 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.722 -179.328 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.64 -34.81 53.11 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.766 -178.45 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 22.7 m-80 -107.67 8.16 28.89 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -174.435 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 14.9 ptmm? -86.26 -13.2 47.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.38 0.609 . . . . 0.0 109.642 171.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -73.34 -32.87 64.81 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.657 -176.432 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 4.9 p -75.48 140.58 17.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.65 -0.704 . . . . 0.0 109.451 175.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -106.73 139.36 41.28 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.979 0.419 . . . . 0.0 111.622 -171.401 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.86 21.36 79.34 Favored Glycine 0 N--CA 1.451 -0.326 0 CA-C-N 115.78 -0.645 . . . . 0.0 112.903 176.597 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' GLN . . . . . 0.478 ' HG2' ' N ' ' B' ' 31' ' ' ASP . 0.0 OUTLIER -110.16 163.2 13.84 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 120.536 0.207 . . . . 0.0 110.496 -179.08 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 31' ' ' ASP . . . . . 0.478 ' N ' ' HG2' ' B' ' 30' ' ' GLN . 9.6 m-20 -80.36 94.96 6.24 Favored 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 173.739 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.434 ' O ' HG13 ' B' ' 36' ' ' ILE . 9.9 p -68.28 -30.73 48.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.406 -176.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 33' ' ' VAL . . . . . 0.411 HG21 ' HB3' ' B' ' 67' ' ' GLN . 1.1 t -62.81 -53.6 44.72 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.294 -178.361 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.413 ' HA ' ' HB2' ' B' ' 37' ' ' LEU . 39.7 mt-10 -63.36 -34.67 78.23 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.52 179.729 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.7 -49.61 72.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.642 0.734 . . . . 0.0 109.564 176.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.528 HD13 HD11 ' B' ' 54' ' ' LEU . 40.5 mt -67.15 -63.05 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.919 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.992 177.057 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.741 HD23 HD13 ' B' ' 50' ' ' ILE . 11.1 mt -41.4 -44.62 2.87 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.002 0.921 . . . . 0.0 113.097 -177.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -86.89 -22.9 25.43 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 -169.262 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 57.6 m80 -91.72 -30.05 16.49 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 119.673 -0.811 . . . . 0.0 112.997 -174.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.693 ' HG ' ' O ' ' B' ' 40' ' ' LEU . 2.1 pt? -95.57 81.85 3.58 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 118.834 -1.147 . . . . 0.0 110.521 177.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -84.13 38.83 0.68 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.707 0.765 . . . . 0.0 109.951 -178.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' THR . . . . . 0.44 HG21 ' CD ' ' B' ' 13' ' ' GLU . 7.3 t -91.73 -28.54 17.35 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.814 -1.085 . . . . 0.0 110.274 -177.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 43' ' ' VAL . . . . . 0.421 HG12 HG23 ' B' ' 42' ' ' THR . 4.4 p -136.18 128.61 17.54 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.656 -175.365 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 44' ' ' PRO . . . . . 0.568 ' O ' ' HB3' ' B' ' 6' ' ' ALA . 71.6 Cg_endo -78.24 97.75 1.16 Allowed 'Trans proline' 0 N--CA 1.46 -0.465 0 C-N-CA 122.763 2.309 . . . . 0.0 111.815 176.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.494 ' HB3' ' O ' ' B' ' 6' ' ' ALA . 0.0 OUTLIER -145.76 145.88 31.0 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.079 -177.502 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 11.0 t -69.55 174.38 5.04 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 115.665 -0.698 . . . . 0.0 112.544 -173.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' ARG . . . . . 0.574 ' HA ' HD21 ' B' ' 37' ' ' LEU . 1.0 OUTLIER -56.76 -38.83 73.0 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.156 -0.929 . . . . 0.0 111.024 179.364 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.473 ' O ' ' HB2' ' B' ' 52' ' ' HIS . 8.2 tttt -60.45 -25.64 66.15 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.559 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -75.32 -38.28 60.34 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.219 0.452 . . . . 0.0 112.219 -172.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.741 HD13 HD23 ' B' ' 37' ' ' LEU . 1.5 mp -63.8 -49.21 82.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 174.659 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.566 HG12 ' CD2' ' B' ' 66' ' ' PHE . 59.4 mt -58.81 -48.2 86.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.217 0.532 . . . . 0.0 110.219 179.227 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 52' ' ' HIS . . . . . 0.473 ' HB2' ' O ' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -52.49 -61.24 2.4 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.936 -1.029 . . . . 0.0 112.134 -176.795 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 53' ' ' HIS . . . . . 0.524 ' HB2' ' CD2' ' B' ' 17' ' ' LEU . 9.8 m-70 -69.08 -24.64 64.17 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.709 0.29 . . . . 0.0 111.602 -171.131 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 54' ' ' LEU . . . . . 0.528 HD11 HD13 ' B' ' 36' ' ' ILE . 78.5 mt -76.99 -47.0 21.97 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.778 0.323 . . . . 0.0 111.187 -177.359 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 23.9 m -74.89 -20.75 16.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 C-N-CA 120.236 -0.586 . . . . 0.0 110.019 177.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -79.27 -30.13 42.9 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.752 176.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.524 ' HB2' ' CD2' ' B' ' 59' ' ' LEU . 72.3 mtm -83.53 2.35 37.45 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.652 177.58 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 68.75 21.45 74.93 Favored Glycine 0 N--CA 1.45 -0.425 0 CA-C-N 115.888 -0.596 . . . . 0.0 113.321 173.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.524 ' CD2' ' HB2' ' B' ' 57' ' ' MET . 1.9 pt? -106.11 -8.5 17.42 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 176.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -118.47 165.75 13.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.383 173.457 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -83.46 -67.38 0.79 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.989 0.423 . . . . 0.0 112.034 -175.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 47.5 m -157.82 166.52 32.48 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.001 -172.212 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 55.7 t -61.53 -34.91 63.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.669 0.747 . . . . 0.0 110.19 174.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 64' ' ' LYS . . . . . 0.509 ' HG2' ' H ' ' B' ' 71' ' ' THR . 5.8 mtmp? -54.86 -49.17 71.79 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.69 -1.141 . . . . 0.0 111.252 -179.389 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -64.71 -19.72 65.92 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.971 -1.013 . . . . 0.0 111.682 -172.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' PHE . . . . . 0.566 ' CD2' HG12 ' B' ' 51' ' ' ILE . 3.2 m-85 -79.49 -52.63 7.79 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 -168.709 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 67' ' ' GLN . . . . . 0.411 ' HB3' HG21 ' B' ' 33' ' ' VAL . 10.6 pt20 -164.24 0.14 0.03 OUTLIER 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 115.218 1.562 . . . . 0.0 115.218 -171.522 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -131.87 173.37 11.24 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 119.23 -0.988 . . . . 0.0 112.622 -170.621 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -61.49 131.82 51.4 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 114.879 -1.055 . . . . 0.0 110.118 177.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -51.54 115.3 3.68 Favored Glycine 0 N--CA 1.451 -0.363 0 CA-C-N 115.44 -0.8 . . . . 0.0 113.863 -176.475 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 71' ' ' THR . . . . . 0.509 ' H ' ' HG2' ' B' ' 64' ' ' LYS . 9.6 p -120.0 108.93 14.9 Favored 'General case' 0 N--CA 1.446 -0.65 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 172.107 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 3.2 p80 -66.1 0.44 1.95 Allowed 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 122.418 0.287 . . . . 0.0 111.144 -178.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 73' ' ' ILE . . . . . 0.497 ' H ' ' C ' ' B' ' 71' ' ' THR . 1.4 mm -11.56 115.62 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 N-CA-C 115.911 1.819 . . . . 0.0 115.911 -158.038 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -54.13 126.39 10.67 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.737 0 CA-C-N 112.885 -1.961 . . . . 0.0 108.834 166.807 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -48.01 97.97 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.143 0.902 . . . . 0.0 111.698 -176.009 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 76' ' ' TRP . . . . . 0.451 ' NE1' ' HG3' ' B' ' 117' ' ' LYS . 48.1 m95 -86.39 110.19 19.54 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.955 -175.412 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 77' ' ' THR . . . . . 0.406 ' O ' ' HG3' ' B' ' 81' ' ' GLU . 74.0 p -106.99 167.98 9.52 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.67 176.567 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -55.15 -44.52 83.81 Favored Glycine 0 N--CA 1.454 -0.158 0 C-N-CA 121.211 -0.519 . . . . 0.0 113.016 -177.196 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -66.42 -40.06 89.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.854 0.359 . . . . 0.0 110.908 179.327 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -68.27 -39.72 82.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.585 -177.212 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 81' ' ' GLU . . . . . 0.406 ' HG3' ' O ' ' B' ' 77' ' ' THR . 59.8 mt-10 -61.47 -34.06 74.82 Favored 'General case' 0 CA--C 1.518 -0.27 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 175.812 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 20.3 tp -66.2 -35.34 80.19 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.933 -178.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -54.37 -57.4 11.42 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 122.011 0.91 . . . . 0.0 108.683 176.249 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 84' ' ' LEU . . . . . 0.4 HD11 HG23 ' B' ' 114' ' ' ILE . 25.5 tp -63.66 -44.33 94.11 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 114.026 -1.443 . . . . 0.0 110.871 -177.273 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -57.97 -55.05 39.92 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.049 -177.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -66.22 -52.89 43.44 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 111.741 0.274 . . . . 0.0 111.741 -176.26 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 6.9 mp -58.33 -41.11 83.88 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 111.628 0.232 . . . . 0.0 111.628 -176.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.702 ' CE1' ' HB3' ' B' ' 123' ' ' LEU . 24.9 t80 -54.01 -49.05 69.75 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.665 178.706 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -80.28 -16.46 54.62 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 120.667 -0.413 . . . . 0.0 111.246 -175.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -87.02 -25.34 24.29 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.227 -178.482 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 91' ' ' PHE . . . . . 0.426 ' O ' ' HB ' ' B' ' 97' ' ' VAL . 86.3 m-85 -119.81 19.76 12.39 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.979 0.418 . . . . 0.0 110.451 177.485 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 92' ' ' ARG . . . . . 0.476 ' HB2' ' O ' ' B' ' 88' ' ' PHE . 53.6 ttt180 -69.7 -30.64 68.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.328 0.585 . . . . 0.0 109.826 -179.702 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -86.75 37.33 0.75 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.491 177.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 50.5 m -119.88 178.53 4.56 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.18 178.302 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -77.91 -16.62 58.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.577 -177.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -168.24 99.15 0.43 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 175.408 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 97' ' ' VAL . . . . . 0.537 ' O ' HG13 ' B' ' 101' ' ' ILE . 2.2 p -68.75 -36.88 76.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.556 -175.205 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 98' ' ' LEU . . . . . 0.453 HD12 HG13 ' B' ' 97' ' ' VAL . 8.1 mp -65.73 -34.07 77.34 Favored 'General case' 0 CA--C 1.518 -0.285 0 C-N-CA 120.903 -0.319 . . . . 0.0 111.464 -179.084 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 99' ' ' GLY . . . . . 0.653 ' O ' ' HG2' ' B' ' 103' ' ' LYS . . . -54.87 -41.7 77.06 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.676 -0.773 . . . . 0.0 111.328 172.378 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -74.48 -36.52 63.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.677 0.275 . . . . 0.0 110.53 178.379 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 101' ' ' ILE . . . . . 0.864 ' O ' ' HB ' ' B' ' 105' ' ' ILE . 71.3 mt -56.03 -37.22 47.7 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.454 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.485 -178.614 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 102' ' ' MET . . . . . 0.547 ' HE2' ' O ' ' B' ' 109' ' ' ARG . 49.6 mtt -82.57 -33.41 28.1 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 179.521 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 103' ' ' LYS . . . . . 0.653 ' HG2' ' O ' ' B' ' 99' ' ' GLY . 73.4 mmtt -75.87 -37.14 59.19 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.807 0.337 . . . . 0.0 111.381 -175.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -102.98 18.88 20.6 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.165 -172.54 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 105' ' ' ILE . . . . . 0.864 ' HB ' ' O ' ' B' ' 101' ' ' ILE . 9.5 tp -104.56 166.92 2.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.925 0.869 . . . . 0.0 112.782 -171.06 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 106' ' ' THR . . . . . 0.534 ' N ' HG13 ' B' ' 105' ' ' ILE . 3.0 m -87.09 -44.52 11.48 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-N 114.068 -1.424 . . . . 0.0 110.925 170.481 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 107' ' ' ALA . . . . . 0.523 ' H ' HG13 ' B' ' 105' ' ' ILE . . . -99.74 129.1 45.83 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -175.078 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 108' ' ' LYS . . . . . 0.404 ' HA ' ' HE2' ' B' ' 108' ' ' LYS . 7.9 mmpt? -82.66 103.12 11.94 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.03 177.305 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 109' ' ' ARG . . . . . 0.547 ' O ' ' HE2' ' B' ' 102' ' ' MET . 43.6 mtm-85 -115.86 177.69 4.58 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.996 -177.667 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 47.7 t -99.59 159.47 15.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.897 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 44.7 mmm-85 -60.87 -50.65 72.57 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.349 178.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 112' ' ' ALA . . . . . 0.417 ' HA ' HG22 ' B' ' 115' ' ' VAL . . . -60.78 -33.97 73.77 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 121.351 0.596 . . . . 0.0 110.968 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 113' ' ' ARG . . . . . 0.566 ' HA ' ' CZ ' ' B' ' 113' ' ' ARG . 1.2 tpp180 -70.44 -36.73 74.13 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.713 -179.463 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 114' ' ' ILE . . . . . 0.4 HG23 HD11 ' B' ' 84' ' ' LEU . 94.6 mt -75.63 -45.8 38.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.509 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 115' ' ' VAL . . . . . 0.581 ' O ' HD23 ' B' ' 119' ' ' LEU . 25.6 m -63.31 -37.55 79.78 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.132 0 CA-C-O 120.6 0.238 . . . . 0.0 111.321 -176.754 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -62.92 -40.75 98.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.332 0.587 . . . . 0.0 110.573 176.436 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 117' ' ' LYS . . . . . 0.515 ' O ' HD13 ' B' ' 121' ' ' LEU . 2.4 mmtm -72.98 -29.26 62.92 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.76 -177.29 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 118' ' ' LEU . . . . . 0.443 HD22 HD12 ' B' ' 123' ' ' LEU . 16.5 mt -60.86 -49.16 78.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.065 0.459 . . . . 0.0 110.301 174.052 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 119' ' ' LEU . . . . . 0.581 HD23 ' O ' ' B' ' 115' ' ' VAL . 4.6 mm? -60.17 -35.49 75.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.684 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -70.3 -39.71 74.69 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.265 -178.341 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 121' ' ' LEU . . . . . 0.515 HD13 ' O ' ' B' ' 117' ' ' LYS . 10.6 mp -72.56 -25.52 61.39 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 121.072 0.463 . . . . 0.0 110.906 175.419 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 83.87 31.17 27.13 Favored Glycine 0 N--CA 1.443 -0.853 0 N-CA-C 111.285 -0.726 . . . . 0.0 111.285 -174.125 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 123' ' ' LEU . . . . . 0.702 ' HB3' ' CE1' ' B' ' 88' ' ' PHE . 69.3 mt -78.57 -27.55 45.74 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-O 121.513 0.673 . . . . 0.0 109.237 179.604 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 124' ' ' VAL . . . . . 0.47 HG11 ' CD2' ' B' ' 130' ' ' LEU . 20.1 m -140.69 176.51 4.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 114.723 -1.126 . . . . 0.0 110.042 175.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -113.82 -9.38 13.11 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.72 177.221 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -164.94 174.6 10.34 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.05 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 127' ' ' ARG . . . . . 0.704 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 0.6 OUTLIER -79.24 -22.31 44.97 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 -177.097 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 128' ' ' ARG . . . . . . . . . . . . . 3.7 ptp180 -71.29 -26.19 62.76 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.202 -0.599 . . . . 0.0 111.665 -174.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -66.07 -26.62 67.57 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 120.903 0.382 . . . . 0.0 110.971 -177.222 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 130' ' ' LEU . . . . . 0.704 ' HG ' ' O ' ' B' ' 127' ' ' ARG . 0.1 OUTLIER -94.51 1.6 55.7 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.725 -178.412 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 131' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -126.4 46.15 2.51 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.035 178.15 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 16.9 mmtp -111.45 -174.32 2.44 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.243 -177.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 84.1 mttt -91.37 172.21 8.68 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.791 178.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 134' ' ' ARG . . . . . 0.562 ' O ' ' HG2' ' B' ' 134' ' ' ARG . 0.0 OUTLIER -63.04 80.94 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 122.456 1.122 . . . . 0.0 111.499 177.201 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 29.7 pt20 -98.87 152.77 19.39 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.272 176.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 136' ' ' LYS . . . . . 0.401 ' HD3' ' HA ' ' B' ' 136' ' ' LYS . 16.2 mmtp -132.59 70.88 1.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 122.042 0.925 . . . . 0.0 110.467 171.79 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt -138.67 152.93 48.48 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.148 -1.387 . . . . 0.0 107.763 176.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 97.1 mt -46.36 105.42 0.06 Allowed 'General case' 0 C--N 1.327 -0.393 0 O-C-N 123.508 0.505 . . . . 0.0 110.256 176.331 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . -80.64 81.04 6.99 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.313 0.578 . . . . 0.0 111.166 -174.018 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 19.1 m -131.25 88.92 2.65 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.774 174.481 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 141' ' ' SER . . . . . . . . . . . . . 19.6 t . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.463 -0.779 . . . . 0.0 109.741 179.392 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' ASP . . . . . 0.434 ' HB2' ' HB2' ' B' ' 4' ' ' ARG . 3.6 m-20 . . . . . 0 N--CA 1.482 1.149 0 N-CA-C 110.527 -0.175 . . . . 0.0 110.527 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -59.93 -55.2 1.76 Allowed 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.614 2.209 . . . . 0.0 112.952 -179.574 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 4.5 m -92.93 -32.06 14.7 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.835 0.35 . . . . 0.0 110.877 -178.111 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' ARG . . . . . 0.434 ' HB2' ' HB2' ' B' ' 1' ' ' ASP . 70.9 mtt180 -88.97 95.84 10.48 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.34 0.591 . . . . 0.0 110.368 -175.248 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 5' ' ' ARG . . . . . 0.453 ' O ' ' HA ' ' B' ' 45' ' ' ARG . 1.6 mmm180 -104.75 150.36 24.83 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.34 175.13 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -114.23 103.85 54.94 Favored Pre-proline 0 C--N 1.316 -0.887 0 C-N-CA 119.879 -0.728 . . . . 0.0 111.422 172.292 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_endo -103.31 173.98 0.18 Allowed 'Trans proline' 0 N--CA 1.442 -1.555 0 C-N-CA 123.151 2.567 . . . . 0.0 112.667 174.048 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 2.7 p -88.04 125.31 34.49 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 120.982 0.42 . . . . 0.0 110.075 173.513 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' TRP . . . . . 0.476 ' CZ2' ' HD3' ' B' ' 45' ' ' ARG . 14.9 m95 -74.63 147.2 41.78 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.317 -174.712 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 15.0 m -79.67 149.19 70.82 Favored Pre-proline 0 C--N 1.32 -0.714 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 170.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo -47.38 -44.8 24.09 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.979 2.453 . . . . 0.0 113.003 -177.499 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -68.01 -26.02 65.68 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.509 -178.393 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -79.25 -34.51 42.59 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.991 -0.284 . . . . 0.0 110.422 -176.622 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -75.37 -28.61 59.59 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.998 0.428 . . . . 0.0 110.513 175.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.84 -37.4 81.84 Favored 'General case' 0 C--O 1.221 -0.417 0 CA-C-O 121.375 0.607 . . . . 0.0 109.384 171.1 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.508 ' O ' ' HB3' ' B' ' 19' ' ' GLU . 18.3 t-160 -70.39 -27.31 64.21 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.056 -0.975 . . . . 0.0 110.173 175.486 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.468 HD21 ' HB2' ' B' ' 53' ' ' HIS . 46.9 tp -65.58 -48.91 70.74 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.799 177.258 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 18' ' ' ARG . . . . . 0.728 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 17.4 ptt180 -73.47 -29.96 62.86 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 175.478 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 19' ' ' GLU . . . . . 0.508 ' HB3' ' O ' ' B' ' 16' ' ' HIS . 16.4 tp10 -49.19 -49.61 41.91 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.672 0.749 . . . . 0.0 110.096 175.779 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.508 ' HB3' HG12 ' B' ' 36' ' ' ILE . 0.4 OUTLIER -70.47 -37.41 74.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.105 -0.952 . . . . 0.0 111.351 -179.652 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 21' ' ' TYR . . . . . 0.458 ' O ' ' HB3' ' B' ' 25' ' ' LYS . 86.0 t80 -69.54 -47.6 63.15 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-O 120.855 0.359 . . . . 0.0 110.596 -176.548 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.728 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 62.1 mt -60.3 -31.23 70.07 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.526 -178.095 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.5 -41.96 30.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.492 -178.125 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -107.18 19.32 20.54 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 112.378 0.511 . . . . 0.0 112.378 -171.1 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.458 ' HB3' ' O ' ' B' ' 21' ' ' TYR . 22.1 pttm -82.73 -13.38 56.43 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.857 0.36 . . . . 0.0 111.496 -177.051 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -103.03 14.43 31.93 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.149 0.499 . . . . 0.0 111.108 -172.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 37.6 t -110.93 108.44 25.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.139 179.131 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -91.17 155.46 18.59 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.397 178.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.75 7.32 86.06 Favored Glycine 0 N--CA 1.451 -0.336 0 N-CA-C 110.657 -0.977 . . . . 0.0 110.657 -174.626 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.21 152.89 47.53 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 114.683 -0.758 . . . . 0.0 109.589 -178.03 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -82.23 102.62 11.26 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 172.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.459 ' O ' HG13 ' B' ' 36' ' ' ILE . 9.9 p -57.01 -35.38 47.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.227 0.537 . . . . 0.0 109.846 178.684 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 33' ' ' VAL . . . . . 0.75 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 0.9 OUTLIER -64.31 -50.24 77.37 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.615 0 CA-C-N 115.298 -0.865 . . . . 0.0 109.546 -179.356 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.661 ' HA ' HD11 ' B' ' 37' ' ' LEU . 6.3 tm-20 -65.81 -31.76 72.9 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 114.671 -1.15 . . . . 0.0 110.204 -174.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.51 -47.81 82.89 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.608 0.718 . . . . 0.0 109.96 173.563 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.511 ' O ' ' HG ' ' B' ' 40' ' ' LEU . 47.1 mt -67.08 -64.44 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.98 -179.148 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.75 ' HG ' ' O ' ' B' ' 33' ' ' VAL . 2.1 pp -66.34 -19.89 65.93 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 -167.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 38' ' ' ALA . . . . . 0.479 ' N ' HD12 ' B' ' 37' ' ' LEU . . . -88.53 -33.89 17.59 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 120.941 -0.304 . . . . 0.0 111.464 -179.691 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 32.9 m80 -76.37 -29.85 57.33 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.024 -177.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' B' ' 36' ' ' ILE . 0.8 OUTLIER -107.11 80.58 1.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.663 0.744 . . . . 0.0 111.449 175.901 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 24.8 p-10 -88.9 38.15 0.87 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.977 0.894 . . . . 0.0 109.444 176.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -80.09 -25.2 40.12 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.342 -1.299 . . . . 0.0 109.684 177.629 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -127.09 123.71 23.58 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 115.219 -0.901 . . . . 0.0 109.778 178.603 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -79.25 101.29 1.41 Allowed 'Trans proline' 0 C--O 1.226 -0.107 0 C-N-CA 122.802 2.334 . . . . 0.0 111.349 175.501 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.595 ' HB3' ' HG3' ' B' ' 49' ' ' GLN . 0.0 OUTLIER -137.27 176.05 9.05 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.572 0.701 . . . . 0.0 111.81 -174.124 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 6.5 t -84.3 170.32 13.78 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 114.76 -1.109 . . . . 0.0 109.236 170.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' ARG . . . . . 0.494 ' NH1' HD13 ' B' ' 37' ' ' LEU . 24.9 mmt180 -72.41 -27.59 62.44 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 -179.216 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.04 -33.68 67.45 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 114.922 -1.035 . . . . 0.0 111.756 178.86 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.595 ' HG3' ' HB3' ' B' ' 45' ' ' ARG . 28.9 mm-40 -62.95 -49.2 75.69 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-O 121.432 0.634 . . . . 0.0 110.01 -177.596 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.614 HG13 ' HB3' ' B' ' 37' ' ' LEU . 7.8 mm -60.49 -55.09 26.7 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.899 0 CA-C-N 114.398 -1.274 . . . . 0.0 110.856 -172.653 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 64.1 mt -56.48 -48.36 80.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 114.752 -1.113 . . . . 0.0 110.578 -178.434 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -64.86 -51.29 62.86 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 115.059 -0.973 . . . . 0.0 111.99 -173.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' HIS . . . . . 0.468 ' HB2' HD21 ' B' ' 17' ' ' LEU . 7.7 m-70 -61.25 -24.55 66.46 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 120.811 0.338 . . . . 0.0 111.391 -176.033 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 54' ' ' LEU . . . . . 0.494 HD22 HD11 ' B' ' 59' ' ' LEU . 35.7 mt -83.78 -50.28 8.27 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.988 -177.606 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 19.6 m -69.6 -32.88 54.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 120.956 0.408 . . . . 0.0 110.412 179.517 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -70.63 -26.54 63.52 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.745 177.012 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 6.6 ttp -78.96 0.24 28.33 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.297 0.57 . . . . 0.0 110.71 179.668 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 73.4 13.49 79.88 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.916 -0.659 . . . . 0.0 113.045 173.563 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.494 HD11 HD22 ' B' ' 54' ' ' LEU . 4.4 pp -97.26 -21.36 17.31 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.236 0.541 . . . . 0.0 109.735 175.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -121.95 168.43 11.92 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.234 176.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -80.31 -67.75 0.74 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.263 -0.426 . . . . 0.0 112.088 -175.105 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 61.6 m -164.81 178.41 7.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.725 -170.516 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 54.3 t -57.81 -28.85 33.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 121.698 0.761 . . . . 0.0 109.385 171.249 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 64' ' ' LYS . . . . . 0.414 ' HA ' ' HB2' ' B' ' 68' ' ' ARG . 31.2 mtmm -61.81 -19.18 62.26 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 114.738 -1.119 . . . . 0.0 111.289 176.03 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -90.02 -20.91 22.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.949 0.404 . . . . 0.0 110.876 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 66' ' ' PHE . . . . . 0.404 ' HD1' HG22 ' B' ' 33' ' ' VAL . 15.9 m-85 -107.08 -47.59 3.66 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 -173.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -127.23 -33.32 2.4 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 -166.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 68' ' ' ARG . . . . . 0.414 ' HB2' ' HA ' ' B' ' 64' ' ' LYS . 97.7 mtt180 -98.53 105.38 17.51 Favored 'General case' 0 C--N 1.308 -1.222 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.549 -176.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -64.32 -13.88 52.77 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 176.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -74.24 72.86 1.37 Allowed Glycine 0 N--CA 1.443 -0.849 0 N-CA-C 111.274 -0.73 . . . . 0.0 111.274 173.396 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 4.3 p -52.62 149.74 5.72 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 176.333 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 65.4 t60 -59.0 -37.56 77.17 Favored 'General case' 0 CA--C 1.504 -0.793 0 CA-C-O 121.378 0.608 . . . . 0.0 109.759 -179.031 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 73' ' ' ILE . . . . . 0.525 HD13 ' HA ' ' B' ' 73' ' ' ILE . 3.7 mm -91.75 109.71 21.65 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.782 0 CA-C-O 122.921 1.343 . . . . 0.0 111.767 -176.331 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 74' ' ' VAL . . . . . 0.461 ' CG2' ' HD3' ' B' ' 113' ' ' ARG . 44.4 t -55.08 151.17 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.091 0 CA-C-N 111.828 -2.442 . . . . 0.0 108.798 168.543 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.17 80.29 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 121.547 0.689 . . . . 0.0 111.384 -179.254 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 76' ' ' TRP . . . . . 0.41 ' N ' ' O ' ' B' ' 74' ' ' VAL . 85.6 m95 -85.03 109.15 18.0 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.937 -175.833 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 17.9 p -104.85 172.34 6.84 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.262 173.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -53.73 -36.63 55.3 Favored Glycine 0 CA--C 1.518 0.223 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.456 -179.278 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 79' ' ' ASP . . . . . 0.609 ' O ' ' HG3' ' B' ' 83' ' ' GLU . 6.9 p-10 -72.66 -40.91 65.95 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.875 -0.163 . . . . 0.0 111.305 178.129 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -65.73 -39.4 91.1 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 120.926 0.393 . . . . 0.0 110.525 -178.388 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -64.64 -34.88 79.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.805 176.237 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -68.13 -41.8 81.13 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.609 179.374 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 83' ' ' GLU . . . . . 0.609 ' HG3' ' O ' ' B' ' 79' ' ' ASP . 67.2 mt-10 -53.47 -59.31 4.74 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-O 121.771 0.796 . . . . 0.0 110.666 179.114 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 84' ' ' LEU . . . . . 0.423 HD21 HG23 ' B' ' 114' ' ' ILE . 0.6 OUTLIER -72.04 -32.69 67.35 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 114.712 -1.131 . . . . 0.0 111.144 -171.758 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 85' ' ' GLN . . . . . 0.457 ' O ' ' HG3' ' B' ' 89' ' ' GLU . 1.4 tm0? -57.12 -49.81 74.76 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.771 0.319 . . . . 0.0 110.461 178.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 78.3 mtm180 -66.91 -47.69 70.97 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.246 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 5.7 tp -62.5 -39.24 92.86 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.289 -174.229 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.476 ' O ' ' HB2' ' B' ' 92' ' ' ARG . 2.8 t80 -58.8 -44.93 90.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.065 178.729 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.457 ' HG3' ' O ' ' B' ' 85' ' ' GLN . 35.7 mt-10 -68.12 -31.04 70.35 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.253 0.549 . . . . 0.0 110.52 179.117 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -70.87 -35.2 72.26 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.302 -174.62 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -112.56 15.06 20.22 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.729 0.3 . . . . 0.0 111.05 -178.382 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 92' ' ' ARG . . . . . 0.476 ' HB2' ' O ' ' B' ' 88' ' ' PHE . 70.0 ttt180 -68.09 -31.75 71.59 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.524 -175.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -92.85 24.73 3.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.32 0.581 . . . . 0.0 110.618 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 9.6 t -103.28 -176.43 3.08 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 177.621 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -82.53 -20.64 36.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.947 0.403 . . . . 0.0 110.385 -178.272 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -152.76 108.66 3.34 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.669 173.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 97' ' ' VAL . . . . . 0.523 ' O ' HG13 ' B' ' 101' ' ' ILE . 2.5 p -75.69 -42.5 41.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.855 -0.612 . . . . 0.0 111.657 -176.177 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 98' ' ' LEU . . . . . 0.473 HD12 HG13 ' B' ' 97' ' ' VAL . 8.7 mp -76.57 -31.15 57.36 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -172.679 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -63.7 -32.29 83.65 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.485 -0.864 . . . . 0.0 111.515 174.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -82.63 -29.99 29.71 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 101' ' ' ILE . . . . . 0.523 HG13 ' O ' ' B' ' 97' ' ' VAL . 51.6 mt -59.39 -55.19 25.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.055 174.091 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 102' ' ' MET . . . . . 0.432 ' O ' ' HE2' ' B' ' 108' ' ' LYS . 38.7 mtt -55.22 -44.09 75.09 Favored 'General case' 0 C--N 1.331 -0.228 0 O-C-N 123.354 0.409 . . . . 0.0 112.077 -177.695 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -72.35 -24.13 61.24 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -177.362 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -112.46 18.61 18.31 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.05 0.453 . . . . 0.0 111.426 -175.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 105' ' ' ILE . . . . . 0.453 HG13 ' N ' ' B' ' 106' ' ' THR . 11.2 tp -118.72 162.2 17.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.289 0.566 . . . . 0.0 111.135 -179.264 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 106' ' ' THR . . . . . 0.453 ' N ' HG13 ' B' ' 105' ' ' ILE . 9.3 t -81.71 -35.78 29.41 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.493 -176.687 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 107' ' ' ALA . . . . . 0.486 ' HB3' ' NH1' ' B' ' 109' ' ' ARG . . . -110.61 128.33 55.63 Favored 'General case' 0 CA--C 1.514 -0.442 0 C-N-CA 121.202 -0.199 . . . . 0.0 110.493 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 108' ' ' LYS . . . . . 0.432 ' HE2' ' O ' ' B' ' 102' ' ' MET . 1.0 OUTLIER -83.19 101.78 11.44 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 175.33 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 109' ' ' ARG . . . . . 0.486 ' NH1' ' HB3' ' B' ' 107' ' ' ALA . 8.4 ptt-85 -118.46 144.02 46.29 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.14 -178.408 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 110' ' ' SER . . . . . 0.452 ' O ' HG13 ' B' ' 114' ' ' ILE . 34.2 t -64.62 148.43 50.92 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.221 -171.227 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -66.86 -38.55 86.56 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.398 -176.039 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -60.83 -29.62 69.6 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.46 0.648 . . . . 0.0 109.862 176.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 113' ' ' ARG . . . . . 0.461 ' HD3' ' CG2' ' B' ' 74' ' ' VAL . 33.5 mtt180 -77.39 -42.48 36.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.209 176.129 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 114' ' ' ILE . . . . . 0.452 HG13 ' O ' ' B' ' 110' ' ' SER . 92.3 mt -60.77 -55.04 27.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.487 -0.778 . . . . 0.0 111.124 -178.713 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 115' ' ' VAL . . . . . 0.63 ' O ' HD23 ' B' ' 119' ' ' LEU . 20.0 m -62.36 -35.1 67.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.641 -177.372 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -66.13 -35.11 79.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.263 0.554 . . . . 0.0 110.428 177.677 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.27 -39.62 78.29 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.361 177.183 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 118' ' ' LEU . . . . . 0.414 HD21 ' CD1' ' B' ' 88' ' ' PHE . 5.4 mp -54.21 -45.91 72.34 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 121.239 0.543 . . . . 0.0 110.785 175.628 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 119' ' ' LEU . . . . . 0.63 HD23 ' O ' ' B' ' 115' ' ' VAL . 4.1 mm? -64.24 -28.61 69.85 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.012 -0.994 . . . . 0.0 111.102 -179.776 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -84.29 -33.05 24.06 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.69 -177.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 96.0 mt -74.74 -24.75 58.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.268 176.493 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 82.39 34.0 24.14 Favored Glycine 0 N--CA 1.441 -0.987 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.464 -176.001 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 123' ' ' LEU . . . . . 0.408 HD12 ' HG ' ' B' ' 118' ' ' LEU . 87.0 mt -80.09 -28.17 39.13 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-O 121.548 0.69 . . . . 0.0 109.241 178.474 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 124' ' ' VAL . . . . . 0.525 HG21 ' CD2' ' B' ' 130' ' ' LEU . 19.2 m -145.96 174.14 2.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 114.516 -1.22 . . . . 0.0 109.215 178.3 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 125' ' ' ALA . . . . . 0.504 ' HB2' ' HB3' ' B' ' 140' ' ' SER . . . -110.05 -8.07 14.86 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 121.13 0.49 . . . . 0.0 110.406 177.692 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 126' ' ' GLU . . . . . 0.551 ' CD ' ' HB3' ' B' ' 128' ' ' ARG . 17.2 pt-20 -162.73 172.56 15.08 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.153 -178.743 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 127' ' ' ARG . . . . . 0.742 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 12.0 mpt_? -76.08 -22.33 55.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.748 0.309 . . . . 0.0 111.229 178.641 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 128' ' ' ARG . . . . . 0.551 ' HB3' ' CD ' ' B' ' 126' ' ' GLU . 26.7 ttt-85 -59.51 -33.95 72.0 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -179.304 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -71.91 -9.29 58.14 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -175.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 130' ' ' LEU . . . . . 0.742 ' HG ' ' O ' ' B' ' 127' ' ' ARG . 0.1 OUTLIER -111.42 8.08 21.08 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.063 0.459 . . . . 0.0 110.948 179.022 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 131' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -123.63 126.22 46.22 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 172.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 27.7 mmtp -51.66 107.0 0.16 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.715 0.769 . . . . 0.0 112.811 -173.332 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -123.08 166.67 14.76 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.371 -1.286 . . . . 0.0 108.199 172.263 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 134' ' ' ARG . . . . . . . . . . . . . 27.8 mmt180 -90.59 80.76 5.95 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 175.03 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -90.52 150.33 21.82 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.007 -176.556 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.5 177.31 5.21 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.293 -0.867 . . . . 0.0 108.902 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 137' ' ' LYS . . . . . 0.505 ' HG2' ' O ' ' B' ' 137' ' ' LYS . 0.0 OUTLIER -69.17 90.5 0.48 Allowed 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 122.334 1.064 . . . . 0.0 110.402 178.878 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 138' ' ' LEU . . . . . 0.553 HD23 ' N ' ' B' ' 139' ' ' ALA . 7.1 tt -137.49 151.53 48.55 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.239 -0.891 . . . . 0.0 109.137 -176.812 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 139' ' ' ALA . . . . . 0.553 ' N ' HD23 ' B' ' 138' ' ' LEU . . . -72.15 -156.12 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.609 0.242 . . . . 0.0 110.848 178.598 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 140' ' ' SER . . . . . 0.504 ' HB3' ' HB2' ' B' ' 125' ' ' ALA . 60.9 m -60.03 114.71 2.98 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 175.742 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 141' ' ' SER . . . . . . . . . . . . . 58.9 m . . . . . 0 C--O 1.253 1.272 0 CA-C-O 118.363 -0.827 . . . . 0.0 110.878 -178.089 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 7.3 t70 . . . . . 0 N--CA 1.48 1.068 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -69.92 -46.58 1.11 Allowed 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.816 2.344 . . . . 0.0 113.773 -172.06 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 38.2 t -147.7 -54.98 0.22 Allowed 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 -178.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' B' ' 4' ' ' ARG . 51.0 mtt180 -138.8 -175.79 4.26 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.92 -1.037 . . . . 0.0 108.512 172.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -64.27 115.78 5.38 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 176.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.38 145.3 82.23 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.114 0.483 . . . . 0.0 111.149 -177.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -79.68 167.67 20.4 Favored 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 122.982 2.455 . . . . 0.0 113.075 -175.539 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -80.57 148.65 30.25 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.87 177.451 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 9' ' ' TRP . . . . . 0.497 ' CH2' HD13 ' B' ' 17' ' ' LEU . 52.4 m95 -77.35 135.78 38.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.156 0.503 . . . . 0.0 111.874 -174.227 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 10' ' ' SER . . . . . 0.543 ' OG ' ' HB2' ' B' ' 13' ' ' GLU . 16.3 p -87.24 160.97 47.57 Favored Pre-proline 0 C--N 1.32 -0.698 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.645 173.69 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_exo -53.46 -39.94 80.29 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.778 2.319 . . . . 0.0 112.802 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -76.38 -15.71 59.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.019 -179.287 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.543 ' HB2' ' OG ' ' B' ' 10' ' ' SER . 24.2 tt0 -84.85 -49.71 8.17 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.074 -175.706 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 14' ' ' GLU . . . . . 0.485 ' O ' ' HB3' ' B' ' 17' ' ' LEU . 45.7 mt-10 -58.83 -37.21 75.93 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.371 177.451 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 15' ' ' ALA . . . . . 0.408 ' O ' ' HB2' ' B' ' 19' ' ' GLU . . . -68.13 -40.64 82.43 Favored 'General case' 0 C--O 1.216 -0.687 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.899 178.754 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.444 ' HA ' ' HB3' ' B' ' 19' ' ' GLU . 1.3 t-80 -64.98 -31.59 72.91 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 178.831 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.497 HD13 ' CH2' ' B' ' 9' ' ' TRP . 30.7 tp -57.26 -56.13 25.79 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.005 177.03 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 18' ' ' ARG . . . . . 0.764 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 12.4 ptt180 -74.02 -31.14 62.79 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.93 178.51 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 19' ' ' GLU . . . . . 0.444 ' HB3' ' HA ' ' B' ' 16' ' ' HIS . 12.2 tp10 -51.37 -48.94 62.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.687 0.756 . . . . 0.0 110.207 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.576 HD13 ' HA ' ' B' ' 36' ' ' ILE . 0.7 OUTLIER -75.08 -28.38 60.28 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.706 -1.134 . . . . 0.0 111.274 -178.434 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -69.73 -50.13 46.47 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.133 0.492 . . . . 0.0 109.873 178.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.764 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 34.7 mt -64.33 -23.46 67.3 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.66 -176.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.07 -35.46 56.59 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.923 178.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -116.95 13.41 14.9 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -171.454 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.426 ' HD2' ' HA ' ' B' ' 22' ' ' LEU . 21.8 ptmt -73.01 -13.74 61.29 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.812 0.339 . . . . 0.0 111.496 -178.274 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -118.38 9.02 12.29 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.037 0.446 . . . . 0.0 110.302 178.478 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 63.0 t -100.08 108.72 23.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.452 -178.529 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -99.1 157.59 16.25 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.124 178.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.07 -0.79 69.55 Favored Glycine 0 N--CA 1.451 -0.339 0 N-CA-C 110.29 -1.124 . . . . 0.0 110.29 -172.091 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' GLN . . . . . 0.413 ' OE1' ' HB2' ' B' ' 35' ' ' ALA . 12.4 tt0 -147.04 143.94 28.74 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.075 -1.063 . . . . 0.0 108.294 177.662 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -75.3 126.63 31.42 Favored 'General case' 0 C--N 1.317 -0.809 0 C-N-CA 120.335 -0.546 . . . . 0.0 109.8 174.377 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.52 ' O ' HG13 ' B' ' 36' ' ' ILE . 9.8 p -60.48 -36.59 70.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 173.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 33' ' ' VAL . . . . . 0.8 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 1.6 t -58.81 -59.59 3.52 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 CA-C-N 115.262 -0.881 . . . . 0.0 109.768 177.347 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -54.54 -38.28 66.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.261 -0.882 . . . . 0.0 110.912 -177.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' ALA . . . . . 0.413 ' HB2' ' OE1' ' B' ' 30' ' ' GLN . . . -58.01 -49.79 75.63 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.151 0.501 . . . . 0.0 110.459 177.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.576 ' HA ' HD13 ' B' ' 20' ' ' LEU . 39.6 mt -67.42 -53.75 29.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.588 -179.511 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.8 ' HG ' ' O ' ' B' ' 33' ' ' VAL . 14.8 mt -51.4 -40.53 59.46 Favored 'General case' 0 N--CA 1.468 0.442 0 O-C-N 123.624 0.578 . . . . 0.0 111.2 -176.201 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -89.38 -44.69 10.02 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 113.45 0.907 . . . . 0.0 113.45 -171.118 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' HIS . . . . . 0.523 ' HB2' HD11 ' B' ' 20' ' ' LEU . 55.1 m80 -75.66 -11.48 60.01 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.581 0.585 . . . . 0.0 112.581 -168.746 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.569 ' HG ' ' O ' ' B' ' 36' ' ' ILE . 0.8 OUTLIER -104.16 80.64 1.74 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 122.081 0.943 . . . . 0.0 110.183 169.651 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 28.5 p-10 -83.0 42.04 0.78 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.241 -0.891 . . . . 0.0 110.323 -178.077 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 11.9 t -104.41 1.2 29.85 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.512 -177.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' VAL . . . . . 0.829 HG21 ' CZ ' ' B' ' 45' ' ' ARG . 7.2 p -157.22 129.96 4.34 Favored Pre-proline 0 N--CA 1.449 -0.477 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 -171.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -85.78 89.85 0.74 Allowed 'Trans proline' 0 N--CA 1.454 -0.809 0 C-N-CA 122.816 2.344 . . . . 0.0 111.446 166.481 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.829 ' CZ ' HG21 ' B' ' 43' ' ' VAL . 0.6 OUTLIER -132.22 160.63 35.59 Favored 'General case' 0 CA--C 1.512 -0.504 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 177.39 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 5.1 t -69.4 148.84 49.07 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 177.071 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' ARG . . . . . 0.457 ' HD2' ' HB3' ' B' ' 37' ' ' LEU . 13.4 mmt180 -61.37 -24.93 66.82 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.334 0.588 . . . . 0.0 110.415 -176.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -59.88 -33.63 72.08 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.792 -1.095 . . . . 0.0 111.421 179.328 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -64.79 -49.81 69.23 Favored 'General case' 0 CA--C 1.52 -0.191 0 C-N-CA 121.025 -0.27 . . . . 0.0 111.039 -177.146 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 2.0 mp -53.33 -52.84 27.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 O-C-N 123.313 0.383 . . . . 0.0 110.867 -178.687 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.5 HG23 ' CG ' ' B' ' 66' ' ' PHE . 82.6 mt -54.91 -49.62 68.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.378 0.609 . . . . 0.0 111.124 179.267 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -60.3 -43.81 95.98 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.96 -176.603 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' HIS . . . . . 0.443 ' HB2' HD21 ' B' ' 17' ' ' LEU . 33.8 m170 -72.0 -25.09 61.69 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.904 -0.318 . . . . 0.0 111.362 -175.275 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 54' ' ' LEU . . . . . 0.506 HD11 HD13 ' B' ' 36' ' ' ILE . 51.1 mt -71.46 -52.64 17.34 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.946 0.879 . . . . 0.0 110.016 176.363 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 55' ' ' VAL . . . . . 0.52 ' HA ' ' HB3' ' B' ' 60' ' ' ALA . 2.4 t -65.44 -35.04 74.36 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.214 0 CA-C-N 114.275 -1.33 . . . . 0.0 110.562 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -73.16 -19.3 61.15 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.685 177.546 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.524 ' SD ' ' HD3' ' B' ' 18' ' ' ARG . 31.5 ttm -88.0 -1.53 58.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.078 0.466 . . . . 0.0 110.609 -178.037 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 85.11 -2.91 88.0 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 121.043 -0.599 . . . . 0.0 112.798 177.059 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.444 HD11 ' CD2' ' B' ' 54' ' ' LEU . 4.3 pp -89.8 -10.61 44.81 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.391 0.615 . . . . 0.0 110.213 -179.595 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 60' ' ' ALA . . . . . 0.52 ' HB3' ' HA ' ' B' ' 55' ' ' VAL . . . -134.02 154.6 51.03 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.313 174.835 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -82.34 -57.0 3.56 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -174.653 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 21.2 t -163.71 167.41 21.07 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.781 0.324 . . . . 0.0 110.738 -176.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 61.7 t -64.56 -17.08 20.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.566 175.511 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 64' ' ' LYS . . . . . 0.622 ' HA ' ' O ' ' B' ' 68' ' ' ARG . 12.0 pttm -54.69 -36.29 64.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 122.109 0.957 . . . . 0.0 110.677 177.19 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -86.59 -16.56 36.41 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 113.804 -1.544 . . . . 0.0 110.182 -172.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 66' ' ' PHE . . . . . 0.5 ' CG ' HG23 ' B' ' 51' ' ' ILE . 37.8 m-85 -99.65 -48.11 4.85 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.811 -178.305 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -137.15 -80.05 0.38 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.092 0.472 . . . . 0.0 112.148 -172.505 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 68' ' ' ARG . . . . . 0.622 ' O ' ' HA ' ' B' ' 64' ' ' LYS . 75.6 mtp180 -107.08 130.22 54.71 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.466 -173.088 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 69' ' ' LYS . . . . . 0.493 ' HA ' ' HA ' ' B' ' 64' ' ' LYS . 14.8 pttm -67.71 95.44 0.5 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.667 0.746 . . . . 0.0 112.092 -177.398 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -127.63 129.28 6.36 Favored Glycine 0 N--CA 1.442 -0.954 0 CA-C-N 114.776 -1.102 . . . . 0.0 110.724 172.628 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 13.1 p -82.39 121.76 27.13 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.802 0.334 . . . . 0.0 111.243 -179.006 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 72' ' ' HIS . . . . . 0.549 ' CG ' ' N ' ' B' ' 73' ' ' ILE . 6.8 p80 -63.29 -100.75 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 106.705 -1.591 . . . . 0.0 106.705 168.216 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 73' ' ' ILE . . . . . 0.64 HD12 ' CD1' ' B' ' 76' ' ' TRP . 0.3 OUTLIER -179.94 148.83 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.745 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 139.247 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 74' ' ' VAL . . . . . 0.495 ' O ' HG23 ' B' ' 73' ' ' ILE . 0.2 OUTLIER -76.28 124.83 35.25 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.976 0 N-CA-C 107.899 -1.149 . . . . 0.0 107.899 166.576 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.48 ' O ' ' HG ' ' B' ' 75' ' ' LEU . 0.6 OUTLIER -48.22 102.78 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.615 0.721 . . . . 0.0 112.047 -171.072 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 76' ' ' TRP . . . . . 0.64 ' CD1' HD12 ' B' ' 73' ' ' ILE . 60.1 m95 -97.42 115.74 28.31 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.486 -176.542 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 43.4 p -102.53 172.43 6.87 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.32 -0.855 . . . . 0.0 108.999 171.53 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -64.11 -30.93 79.16 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.486 -0.864 . . . . 0.0 111.6 176.254 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -76.1 -46.2 30.13 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.775 -0.212 . . . . 0.0 111.127 -178.709 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -68.45 -25.14 64.86 Favored 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 120.347 -0.541 . . . . 0.0 109.614 178.184 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -61.34 -47.55 85.37 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.64 174.369 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 24.7 tp -64.4 -41.04 96.86 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.511 177.655 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.64 -55.71 23.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.243 177.215 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 84' ' ' LEU . . . . . 0.426 HD23 ' NH2' ' B' ' 109' ' ' ARG . 3.1 tm? -62.68 -39.36 93.71 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.07 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 23.7 tm0? -57.77 -55.52 33.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.809 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 23.2 mtp180 -66.39 -45.81 78.77 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.688 0.28 . . . . 0.0 111.613 -179.449 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 8.3 tp -60.04 -44.18 94.83 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.622 -175.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.621 ' O ' ' HG3' ' B' ' 92' ' ' ARG . 6.6 t80 -52.25 -51.15 60.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.019 177.368 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -60.88 -46.29 91.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.052 0.453 . . . . 0.0 111.191 -179.18 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -70.89 -19.96 62.55 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.419 -171.233 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -107.1 6.47 28.91 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 177.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 92' ' ' ARG . . . . . 0.621 ' HG3' ' O ' ' B' ' 88' ' ' PHE . 53.0 mtm180 -68.04 -19.05 64.85 Favored 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 169.493 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -80.97 -1.26 43.02 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 113.723 -1.581 . . . . 0.0 110.647 -178.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 27.2 m -104.85 -175.56 2.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.793 -179.264 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -81.35 -21.35 39.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.078 0.466 . . . . 0.0 111.119 -178.392 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -154.01 108.33 3.04 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 175.045 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 97' ' ' VAL . . . . . 0.68 ' O ' HG13 ' B' ' 101' ' ' ILE . 1.3 p -62.72 -43.33 98.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.23 -177.235 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 98' ' ' LEU . . . . . 0.587 HD12 HG13 ' B' ' 97' ' ' VAL . 8.4 mp -76.93 -36.86 56.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.633 0.254 . . . . 0.0 111.202 -176.657 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 99' ' ' GLY . . . . . 0.625 ' O ' ' HD3' ' B' ' 103' ' ' LYS . . . -61.47 -33.07 83.41 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.743 -0.741 . . . . 0.0 111.296 175.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -84.78 -26.31 27.62 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 178.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 101' ' ' ILE . . . . . 0.68 HG13 ' O ' ' B' ' 97' ' ' VAL . 39.7 mt -58.76 -55.07 25.47 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.303 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 172.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 102' ' ' MET . . . . . 0.402 ' CE ' ' HA ' ' B' ' 110' ' ' SER . 26.5 mtt -56.68 -50.3 72.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.107 -0.497 . . . . 0.0 112.134 -177.333 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 103' ' ' LYS . . . . . 0.625 ' HD3' ' O ' ' B' ' 99' ' ' GLY . 0.8 OUTLIER -70.07 -18.76 63.29 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.629 -173.9 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 46.9 m-80 -117.48 15.64 14.68 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.884 -179.187 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 105' ' ' ILE . . . . . 0.604 HG13 ' H ' ' B' ' 107' ' ' ALA . 9.0 tp -110.45 159.29 10.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.423 0.63 . . . . 0.0 111.539 -177.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 2.0 t -94.24 -19.18 20.96 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.859 -1.064 . . . . 0.0 110.346 -179.134 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 107' ' ' ALA . . . . . 0.604 ' H ' HG13 ' B' ' 105' ' ' ILE . . . -92.24 144.52 25.32 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.719 -176.766 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 108' ' ' LYS . . . . . 0.441 ' HA ' ' HE2' ' B' ' 108' ' ' LYS . 7.5 mmpt? -80.12 100.79 8.4 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 169.05 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 109' ' ' ARG . . . . . 0.426 ' NH2' HD23 ' B' ' 84' ' ' LEU . 5.4 ttp180 -130.83 121.25 24.97 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.597 -0.728 . . . . 0.0 109.69 -173.031 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 110' ' ' SER . . . . . 0.41 ' H ' ' NE ' ' B' ' 113' ' ' ARG . 99.1 p -94.22 164.53 13.01 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.371 -176.558 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 111' ' ' ARG . . . . . 0.486 ' O ' HG13 ' B' ' 115' ' ' VAL . 21.8 mmm-85 -56.54 -48.99 76.1 Favored 'General case' 0 N--CA 1.464 0.23 0 O-C-N 123.333 0.395 . . . . 0.0 111.471 -172.186 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -58.93 -36.88 75.49 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 -174.138 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 113' ' ' ARG . . . . . 0.494 HH11 ' HB ' ' B' ' 74' ' ' VAL . 11.0 ptt180 -86.87 -20.19 27.81 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.488 -0.485 . . . . 0.0 111.559 -177.163 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 88.4 mt -74.62 -45.41 45.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.07 0.462 . . . . 0.0 109.982 174.295 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 115' ' ' VAL . . . . . 0.591 ' O ' HD23 ' B' ' 119' ' ' LEU . 15.0 m -66.64 -34.54 70.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.799 -178.014 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -66.85 -31.08 71.46 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.231 -0.441 . . . . 0.0 109.921 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 53.6 tptt -70.48 -40.98 73.32 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.88 177.488 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 118' ' ' LEU . . . . . 0.403 HD12 HD13 ' B' ' 130' ' ' LEU . 21.1 mt -57.23 -48.59 78.43 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-O 121.35 0.595 . . . . 0.0 110.477 178.262 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 119' ' ' LEU . . . . . 0.591 HD23 ' O ' ' B' ' 115' ' ' VAL . 4.4 mm? -61.33 -30.87 70.77 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.684 -1.144 . . . . 0.0 110.839 -178.615 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -72.31 -39.53 68.17 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.76 -179.245 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 10.2 mp -75.5 -25.28 57.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.946 175.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 84.42 31.65 24.41 Favored Glycine 0 N--CA 1.444 -0.797 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.438 -174.449 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 123' ' ' LEU . . . . . 0.5 HD13 ' CD2' ' B' ' 88' ' ' PHE . 92.9 mt -76.72 -28.82 55.97 Favored 'General case' 0 CA--C 1.512 -0.493 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 179.588 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 124' ' ' VAL . . . . . 0.62 HG21 ' CD2' ' B' ' 130' ' ' LEU . 20.3 m -144.16 171.89 6.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 114.373 -1.285 . . . . 0.0 109.704 175.147 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -112.78 -11.06 13.54 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.938 179.475 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 126' ' ' GLU . . . . . 0.416 ' O ' HD21 ' B' ' 130' ' ' LEU . 11.6 pt-20 -153.9 167.03 31.09 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.159 -179.468 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 127' ' ' ARG . . . . . 0.734 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 1.2 mpp_? -80.02 -26.52 39.78 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -175.504 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 128' ' ' ARG . . . . . . . . . . . . . 15.1 ttp180 -60.47 -38.95 85.84 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 -176.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 129' ' ' GLU . . . . . 0.51 ' OE2' ' HA ' ' B' ' 140' ' ' SER . 56.8 mm-40 -70.74 -7.27 43.65 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 -170.613 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 130' ' ' LEU . . . . . 0.734 ' HG ' ' O ' ' B' ' 127' ' ' ARG . 0.0 OUTLIER -104.49 16.11 26.77 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.158 0.504 . . . . 0.0 110.642 177.948 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 131' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -122.43 118.9 29.46 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 173.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -76.41 97.54 4.3 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.917 0.389 . . . . 0.0 110.53 -178.424 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -137.38 170.84 15.4 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.979 -179.271 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 134' ' ' ARG . . . . . . . . . . . . . 23.6 mmt180 -80.91 86.8 6.0 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.461 -0.941 . . . . 0.0 108.461 173.05 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -112.4 143.8 42.91 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.18 -172.423 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.3 94.97 5.51 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.913 0.864 . . . . 0.0 108.856 175.764 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 52.5 tptt -148.42 151.47 35.31 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 114.473 -1.24 . . . . 0.0 109.388 -172.086 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 138' ' ' LEU . . . . . 0.518 ' HG ' ' N ' ' B' ' 139' ' ' ALA . 14.0 tp -45.86 163.34 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 123.616 0.572 . . . . 0.0 109.802 165.663 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 139' ' ' ALA . . . . . 0.518 ' N ' ' HG ' ' B' ' 138' ' ' LEU . . . -59.82 144.35 48.75 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 -179.257 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 140' ' ' SER . . . . . 0.51 ' HA ' ' OE2' ' B' ' 129' ' ' GLU . 73.7 m -47.49 116.27 1.38 Allowed 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.792 0.806 . . . . 0.0 112.946 -166.225 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 141' ' ' SER . . . . . . . . . . . . . 10.3 t . . . . . 0 C--O 1.246 0.877 0 CA-C-N 114.516 -1.22 . . . . 0.0 109.784 -176.143 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 19.5 t70 . . . . . 0 N--CA 1.479 0.986 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -78.31 -29.25 4.06 Favored 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.561 2.174 . . . . 0.0 112.201 178.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 15.0 p -87.07 45.35 1.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.652 -175.078 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -86.03 -165.92 1.39 Allowed 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.84 -178.312 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -46.56 118.3 1.94 Allowed 'General case' 0 C--O 1.234 0.243 0 O-C-N 123.387 0.43 . . . . 0.0 110.185 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.424 ' HA ' ' HD3' ' B' ' 7' ' ' PRO . . . -51.35 130.28 33.28 Favored Pre-proline 0 C--N 1.332 -0.171 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.224 -176.623 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 7' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' B' ' 6' ' ' ALA . 37.8 Cg_exo -62.65 174.92 2.53 Favored 'Trans proline' 0 CA--C 1.528 0.195 0 C-N-CA 123.014 2.476 . . . . 0.0 112.837 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.19 158.04 15.63 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.955 174.846 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 9' ' ' TRP . . . . . 0.427 ' CH2' HD13 ' B' ' 17' ' ' LEU . 93.1 m95 -92.14 166.0 12.86 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.24 0.543 . . . . 0.0 110.756 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 34.8 p -138.74 151.42 68.57 Favored Pre-proline 0 C--N 1.317 -0.809 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 175.552 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -42.02 -42.7 7.07 Favored 'Trans proline' 0 CA--C 1.531 0.369 0 C-N-CA 123.388 2.726 . . . . 0.0 113.471 178.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' B' ' 13' ' ' GLU . 8.8 pt-20 -66.35 -41.89 88.86 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.277 -179.728 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.409 ' N ' ' HG3' ' B' ' 12' ' ' GLU . 8.9 tp10 -77.45 -31.78 54.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.801 0.334 . . . . 0.0 110.589 -176.251 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -67.48 -37.4 82.84 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.021 0.438 . . . . 0.0 110.004 176.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.28 -28.88 69.64 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.033 174.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.51 ' HA ' ' CB ' ' B' ' 19' ' ' GLU . 11.9 t-160 -77.99 -29.36 49.58 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.387 177.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.49 HD11 HG23 ' B' ' 50' ' ' ILE . 38.9 tp -63.22 -47.67 81.53 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 176.4 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 18' ' ' ARG . . . . . 0.756 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 13.4 ptt180 -77.79 -24.86 48.74 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.698 176.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 19' ' ' GLU . . . . . 0.51 ' CB ' ' HA ' ' B' ' 16' ' ' HIS . 10.2 tp10 -52.45 -53.09 50.11 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.664 0.745 . . . . 0.0 109.98 177.678 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.453 HD13 ' HA ' ' B' ' 36' ' ' ILE . 0.3 OUTLIER -71.73 -29.0 64.06 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.965 -1.016 . . . . 0.0 111.044 -178.933 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 21' ' ' TYR . . . . . 0.413 ' CD2' HD13 ' B' ' 59' ' ' LEU . 90.7 t80 -67.6 -54.25 21.33 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-O 121.292 0.568 . . . . 0.0 109.559 178.379 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.756 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 39.4 mt -62.17 -24.52 67.23 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.067 -0.969 . . . . 0.0 110.854 -177.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.19 -27.63 42.61 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -178.357 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 49.4 m-80 -124.0 12.13 8.99 Favored 'General case' 0 N--CA 1.461 0.121 0 N-CA-C 112.289 0.477 . . . . 0.0 112.289 -175.517 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 13.3 ptmm? -79.16 -14.51 59.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.022 0.439 . . . . 0.0 110.838 -179.541 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -99.52 6.69 45.8 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.542 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 42.6 t -102.56 107.65 22.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -80.7 142.65 33.68 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.324 -178.529 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.88 21.51 63.27 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.714 -0.755 . . . . 0.0 111.856 -178.312 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' GLN . . . . . 0.541 ' OE1' ' HB2' ' B' ' 35' ' ' ALA . 0.9 OUTLIER -138.48 132.04 30.63 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 178.026 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -73.02 95.12 1.97 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.213 178.221 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.495 ' O ' HG13 ' B' ' 36' ' ' ILE . 9.4 p -56.69 -30.84 33.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 109.452 -0.574 . . . . 0.0 109.452 177.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 33' ' ' VAL . . . . . 0.665 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 3.3 t -54.37 -59.43 2.17 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 CA-C-N 115.087 -0.961 . . . . 0.0 109.952 177.168 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.534 ' HA ' ' CD1' ' B' ' 37' ' ' LEU . 45.1 mt-10 -72.46 -27.51 62.35 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.695 -178.587 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 35' ' ' ALA . . . . . 0.541 ' HB2' ' OE1' ' B' ' 30' ' ' GLN . . . -53.82 -45.43 70.84 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.42 0.629 . . . . 0.0 109.384 173.014 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.571 ' O ' ' HG ' ' B' ' 40' ' ' LEU . 48.5 mt -73.2 -64.96 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.794 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.863 -178.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.665 ' HG ' ' O ' ' B' ' 33' ' ' VAL . 3.0 pp -65.5 -20.32 66.3 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 -169.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 38' ' ' ALA . . . . . 0.47 ' HB3' ' O ' ' B' ' 34' ' ' GLU . . . -89.77 -27.48 19.99 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 178.531 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 32.0 m80 -87.48 -29.69 21.2 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.393 -0.523 . . . . 0.0 112.214 -176.164 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.571 ' HG ' ' O ' ' B' ' 36' ' ' ILE . 0.6 OUTLIER -97.35 87.83 4.25 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 119.731 -0.788 . . . . 0.0 111.845 179.301 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -83.96 40.39 0.75 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.899 0.856 . . . . 0.0 109.187 178.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' THR . . . . . 0.526 HG22 ' HB2' ' B' ' 40' ' ' LEU . 4.7 t -97.64 -12.57 22.28 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.315 177.508 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 43' ' ' VAL . . . . . 0.4 ' HB ' ' HG3' ' B' ' 45' ' ' ARG . 4.1 m -144.13 112.7 5.23 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.262 -177.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -71.07 94.69 0.65 Allowed 'Trans proline' 0 C--O 1.233 0.273 0 C-N-CA 122.285 1.99 . . . . 0.0 111.082 173.194 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.4 ' HG3' ' HB ' ' B' ' 43' ' ' VAL . 91.3 mtt-85 -133.96 177.57 7.63 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-O 121.165 0.507 . . . . 0.0 112.262 -171.763 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 12.6 t -108.29 166.53 10.69 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.345 -178.229 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' ARG . . . . . 0.406 ' HA ' HD22 ' B' ' 37' ' ' LEU . 9.9 mpt_? -54.95 -54.53 41.64 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 120.773 0.321 . . . . 0.0 111.372 -177.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 24.8 ttpt -51.17 -32.52 23.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.694 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -69.34 -54.87 12.36 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.801 -172.454 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.49 HG23 HD11 ' B' ' 17' ' ' LEU . 1.7 mp -59.82 -48.98 85.58 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 CA-C-O 120.603 0.239 . . . . 0.0 110.412 178.706 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.503 HG23 ' CG ' ' B' ' 66' ' ' PHE . 78.6 mt -52.96 -48.17 52.18 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.142 -178.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -59.33 -43.13 92.75 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.321 -0.854 . . . . 0.0 112.537 -174.176 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 53' ' ' HIS . . . . . 0.528 ' O ' ' HB2' ' B' ' 57' ' ' MET . 9.6 m-70 -73.12 -23.05 60.45 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.985 0.421 . . . . 0.0 110.88 -174.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 54' ' ' LEU . . . . . 0.471 ' HB3' HD11 ' B' ' 59' ' ' LEU . 48.5 mt -76.89 -50.59 12.98 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.559 -178.241 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 55' ' ' VAL . . . . . 0.488 ' HA ' ' HB3' ' B' ' 60' ' ' ALA . 10.7 m -68.49 -26.77 34.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.159 0.504 . . . . 0.0 110.301 179.193 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -79.85 -17.29 53.61 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.962 176.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.528 ' HB2' ' O ' ' B' ' 53' ' ' HIS . 26.2 ttm -87.24 -2.83 58.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.114 0.483 . . . . 0.0 110.728 -179.478 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 85.13 -2.39 88.26 Favored Glycine 0 CA--C 1.511 -0.197 0 C-N-CA 121.06 -0.59 . . . . 0.0 112.517 174.302 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.471 HD11 ' HB3' ' B' ' 54' ' ' LEU . 3.5 pp -85.23 -15.34 43.86 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.07 0.462 . . . . 0.0 110.57 -179.375 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 60' ' ' ALA . . . . . 0.488 ' HB3' ' HA ' ' B' ' 55' ' ' VAL . . . -127.19 167.41 16.1 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.019 173.41 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -81.94 -65.84 0.96 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.899 0.38 . . . . 0.0 110.477 177.03 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 62' ' ' SER . . . . . 0.491 ' OG ' ' HB2' ' B' ' 72' ' ' HIS . 41.5 m -148.71 170.95 17.03 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.433 -174.232 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 63' ' ' VAL . . . . . 0.477 HG13 HG21 ' B' ' 51' ' ' ILE . 78.4 t -60.39 -25.53 34.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.549 176.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 64' ' ' LYS . . . . . 0.418 ' HD3' ' HB3' ' B' ' 72' ' ' HIS . 18.3 pttm -53.13 -37.68 62.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.635 -0.712 . . . . 0.0 111.497 -179.47 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -66.38 -24.22 66.45 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.077 -0.965 . . . . 0.0 111.507 -178.08 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 66' ' ' PHE . . . . . 0.536 ' CD1' HG22 ' B' ' 33' ' ' VAL . 2.2 m-85 -100.3 -48.56 4.55 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.515 0.674 . . . . 0.0 109.803 178.608 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -150.23 100.23 2.88 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.611 -1.177 . . . . 0.0 109.805 -176.586 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 41.8 ttt180 -70.17 83.67 0.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.391 0.615 . . . . 0.0 111.125 177.462 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -112.63 -49.61 2.94 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 170.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -108.61 114.1 3.98 Favored Glycine 0 N--CA 1.444 -0.783 0 N-CA-C 110.401 -1.08 . . . . 0.0 110.401 171.461 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 3.8 p -77.64 134.39 38.19 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -175.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 72' ' ' HIS . . . . . 0.491 ' HB2' ' OG ' ' B' ' 62' ' ' SER . 2.9 t60 -58.51 119.73 7.55 Favored 'General case' 0 N--CA 1.441 -0.897 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 164.342 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -130.77 120.97 49.12 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.337 0 CA-C-O 121.708 0.766 . . . . 0.0 111.526 -178.532 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 29.5 m -71.08 145.57 12.51 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.0 0 CA-C-N 114.251 -1.34 . . . . 0.0 107.896 171.452 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.92 88.58 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 113.018 0.747 . . . . 0.0 113.018 -171.192 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 76' ' ' TRP . . . . . 0.585 ' CZ3' ' HG2' ' B' ' 80' ' ' GLN . 52.5 m95 -85.55 108.79 18.11 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.349 0.595 . . . . 0.0 111.086 -177.626 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 53.1 p -114.71 177.12 4.76 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.32 175.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -61.39 -31.6 77.96 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.499 -0.858 . . . . 0.0 111.303 173.311 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -70.56 -53.99 13.88 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.66 -0.27 . . . . 0.0 110.307 178.015 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 80' ' ' GLN . . . . . 0.592 ' HG3' ' NH2' ' B' ' 109' ' ' ARG . 32.9 tt0 -66.85 -32.57 73.94 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.148 -176.769 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -60.04 -41.28 91.93 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 176.24 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.508 ' O ' ' HG3' ' B' ' 86' ' ' ARG . 25.1 tp -67.78 -43.27 80.15 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.433 176.569 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -51.43 -47.78 62.9 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.047 0.451 . . . . 0.0 110.471 178.315 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 84' ' ' LEU . . . . . 0.42 HD11 HG23 ' B' ' 114' ' ' ILE . 50.0 tp -59.93 -52.47 65.27 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.561 178.671 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 85' ' ' GLN . . . . . 0.455 ' O ' ' HG3' ' B' ' 89' ' ' GLU . 28.9 tt0 -56.96 -50.62 72.08 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 123.767 0.667 . . . . 0.0 111.693 -175.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 86' ' ' ARG . . . . . 0.508 ' HG3' ' O ' ' B' ' 82' ' ' LEU . 76.5 mtp180 -55.56 -53.05 61.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.467 -177.349 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 9.6 mp -63.8 -39.46 94.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.771 0.32 . . . . 0.0 110.879 179.261 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.625 ' O ' ' HB2' ' B' ' 92' ' ' ARG . 11.9 t80 -54.45 -48.34 71.85 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.774 176.371 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.455 ' HG3' ' O ' ' B' ' 85' ' ' GLN . 48.2 mt-10 -66.04 -39.72 90.39 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.25 0.547 . . . . 0.0 110.996 179.078 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -71.79 -35.62 70.06 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.749 -0.659 . . . . 0.0 112.473 -170.637 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -112.3 18.04 18.91 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.922 0.391 . . . . 0.0 111.03 -177.462 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 92' ' ' ARG . . . . . 0.625 ' HB2' ' O ' ' B' ' 88' ' ' PHE . 45.8 ttp180 -68.92 -33.52 73.87 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.654 -174.45 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -77.18 18.37 0.39 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.462 -0.79 . . . . 0.0 112.264 -177.242 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 89.2 p -104.59 177.88 4.72 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 176.419 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -74.1 -27.64 60.97 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.17 0.51 . . . . 0.0 110.321 -179.244 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -143.32 101.07 3.74 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.853 179.633 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 97' ' ' VAL . . . . . 0.483 ' O ' HG13 ' B' ' 101' ' ' ILE . 7.8 p -75.14 -34.44 31.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.475 -176.773 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 98' ' ' LEU . . . . . 0.426 ' O ' ' HG2' ' B' ' 102' ' ' MET . 5.9 mp -65.88 -38.02 87.67 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.543 0.571 . . . . 0.0 112.543 -172.469 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -60.74 -34.52 87.06 Favored Glycine 0 C--O 1.226 -0.399 0 C-N-CA 120.727 -0.749 . . . . 0.0 111.852 179.036 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -75.28 -25.87 58.31 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.938 0.399 . . . . 0.0 109.96 179.008 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 101' ' ' ILE . . . . . 0.483 HG13 ' O ' ' B' ' 97' ' ' VAL . 71.7 mt -69.91 -64.46 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.774 178.674 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 102' ' ' MET . . . . . 0.426 ' HG2' ' O ' ' B' ' 98' ' ' LEU . 5.9 ptp -63.89 -21.57 66.52 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.103 -0.499 . . . . 0.0 112.183 -174.213 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 5.9 mptp? -86.07 -33.27 21.01 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -93.23 -19.5 21.35 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.607 -175.436 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 105' ' ' ILE . . . . . 0.548 HG12 ' NH2' ' B' ' 109' ' ' ARG . 11.1 tp -91.17 152.08 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.179 0.514 . . . . 0.0 110.829 -179.083 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 7.1 t -72.31 -31.04 65.34 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.196 -0.911 . . . . 0.0 111.567 -175.01 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 107' ' ' ALA . . . . . 0.417 ' O ' HG23 ' B' ' 105' ' ' ILE . . . -86.93 127.52 35.06 Favored 'General case' 0 CA--C 1.515 -0.37 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.052 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 108' ' ' LYS . . . . . 0.43 ' HA ' ' HE2' ' B' ' 108' ' ' LYS . 11.1 mmpt? -82.15 100.74 10.0 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.483 0.659 . . . . 0.0 109.311 178.728 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 109' ' ' ARG . . . . . 0.592 ' NH2' ' HG3' ' B' ' 80' ' ' GLN . 33.9 mtt180 -110.84 132.4 54.23 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.223 -0.899 . . . . 0.0 108.79 -178.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 32.6 t -85.59 167.09 15.69 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.967 -174.607 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 111' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' B' ' 111' ' ' ARG . 10.1 mmt180 -57.71 -53.58 56.62 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 -173.162 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.03 -26.44 64.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.124 0.488 . . . . 0.0 111.335 -178.022 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 113' ' ' ARG . . . . . 0.543 ' HD2' ' HE1' ' B' ' 76' ' ' TRP . 6.6 tpp180 -85.88 -35.63 20.46 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.913 -177.651 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 114' ' ' ILE . . . . . 0.42 HG23 HD11 ' B' ' 84' ' ' LEU . 86.1 mt -72.42 -47.34 52.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.421 177.069 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 115' ' ' VAL . . . . . 0.55 ' O ' HD23 ' B' ' 119' ' ' LEU . 36.0 m -61.72 -40.6 87.39 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-O 120.921 0.391 . . . . 0.0 110.884 -178.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -64.24 -36.2 83.32 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.631 -178.486 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 55.3 tptt -71.7 -38.07 70.58 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.074 -177.619 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 118' ' ' LEU . . . . . 0.625 HD22 HD12 ' B' ' 123' ' ' LEU . 18.1 mt -57.42 -47.37 81.94 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-O 121.189 0.519 . . . . 0.0 110.398 175.603 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 119' ' ' LEU . . . . . 0.55 HD23 ' O ' ' B' ' 115' ' ' VAL . 4.5 mm? -63.19 -32.76 74.23 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.102 -0.953 . . . . 0.0 111.069 -178.749 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -84.12 -24.1 30.42 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.148 -177.305 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 48.8 tp -92.76 -13.13 29.68 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.457 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 78.11 34.92 35.93 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.555 178.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 123' ' ' LEU . . . . . 0.625 HD12 HD22 ' B' ' 118' ' ' LEU . 42.5 mt -84.79 -24.03 28.89 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.261 0.553 . . . . 0.0 110.023 177.481 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 124' ' ' VAL . . . . . 0.542 HG21 HD21 ' B' ' 130' ' ' LEU . 14.0 m -146.46 -176.32 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.215 -179.215 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -116.16 -6.79 11.89 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.266 179.433 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -175.36 171.98 2.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.019 -174.564 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 127' ' ' ARG . . . . . 0.736 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 8.9 mpt_? -78.17 -20.46 51.92 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.7 0.286 . . . . 0.0 111.262 178.826 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 128' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' B' ' 128' ' ' ARG . 4.5 ttm180 -59.32 -36.3 75.38 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.305 0.574 . . . . 0.0 110.916 -178.337 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -78.63 -7.57 57.76 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.298 -0.864 . . . . 0.0 112.3 -171.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 130' ' ' LEU . . . . . 0.736 ' HG ' ' O ' ' B' ' 127' ' ' ARG . 0.4 OUTLIER -83.48 -10.06 58.59 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.662 0.744 . . . . 0.0 109.914 -176.014 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 131' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -123.73 130.53 52.78 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.1 -0.955 . . . . 0.0 109.011 -175.227 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 132' ' ' LYS . . . . . 0.453 ' HG2' HH11 ' B' ' 134' ' ' ARG . 40.2 ttmt -45.2 131.87 7.61 Favored 'General case' 0 N--CA 1.465 0.306 0 O-C-N 123.542 0.526 . . . . 0.0 111.498 -177.038 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 133' ' ' LYS . . . . . 0.512 ' HG3' ' NE2' ' B' ' 135' ' ' GLN . 0.0 OUTLIER -138.63 146.32 41.55 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.658 -171.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 134' ' ' ARG . . . . . 0.478 ' HD3' ' C ' ' B' ' 133' ' ' LYS . 0.5 OUTLIER -120.01 88.39 2.93 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 169.755 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 135' ' ' GLN . . . . . 0.512 ' NE2' ' HG3' ' B' ' 133' ' ' LYS . 29.6 pt20 -130.41 164.8 23.95 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.649 -171.577 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -103.48 53.05 0.76 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.912 0.863 . . . . 0.0 108.949 174.131 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 137' ' ' LYS . . . . . 0.455 ' HD3' ' O ' ' B' ' 138' ' ' LEU . 12.6 tmtt? -148.43 149.22 31.33 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.642 -172.594 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 138' ' ' LEU . . . . . 0.455 ' O ' ' HD3' ' B' ' 137' ' ' LYS . 58.2 mt -45.56 124.07 4.73 Favored 'General case' 0 N--CA 1.467 0.391 0 O-C-N 124.065 0.853 . . . . 0.0 112.23 -177.571 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . -68.61 -167.31 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.479 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 14.8 m -50.23 101.14 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.209 0 CA-C-O 121.154 0.502 . . . . 0.0 111.446 -179.083 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 141' ' ' SER . . . . . . . . . . . . . 20.5 m . . . . . 0 C--O 1.248 0.981 0 CA-C-O 118.324 -0.846 . . . . 0.0 109.969 179.773 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' ASP . . . . . 0.485 ' HB2' ' HD3' ' B' ' 2' ' ' PRO . 3.8 m-20 . . . . . 0 N--CA 1.483 1.188 0 CA-C-O 119.575 -0.25 . . . . 0.0 111.33 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 2' ' ' PRO . . . . . 0.485 ' HD3' ' HB2' ' B' ' 1' ' ' ASP . 98.0 Cg_endo -83.3 0.66 9.42 Favored 'Trans proline' 0 C--N 1.353 0.81 0 C-N-CA 121.145 1.23 . . . . 0.0 111.744 175.431 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 3.9 p -79.92 36.77 0.35 Allowed 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.83 -175.381 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 17.8 mtm180 -89.2 -161.83 0.81 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.133 -0.939 . . . . 0.0 108.866 175.12 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -40.53 124.01 1.92 Allowed 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.702 0.287 . . . . 0.0 110.64 171.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.14 135.46 94.94 Favored Pre-proline 0 N--CA 1.452 -0.364 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.537 -177.31 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -62.17 160.93 28.46 Favored 'Trans proline' 0 N--CA 1.461 -0.405 0 C-N-CA 123.042 2.495 . . . . 0.0 112.344 175.443 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 1.6 p -87.42 139.11 30.88 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.207 -0.452 . . . . 0.0 109.789 173.37 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' TRP . . . . . 0.555 ' CE3' ' HG2' ' B' ' 13' ' ' GLU . 81.6 m95 -64.35 118.37 8.6 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.402 0.62 . . . . 0.0 111.936 -175.478 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 12.2 m -79.18 156.37 76.55 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.773 176.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -50.77 -47.01 27.11 Favored 'Trans proline' 0 CA--C 1.531 0.364 0 C-N-CA 122.694 2.263 . . . . 0.0 112.663 178.03 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -67.12 -29.29 68.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.941 0.4 . . . . 0.0 110.567 178.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.555 ' HG2' ' CE3' ' B' ' 9' ' ' TRP . 22.9 tt0 -72.88 -40.37 65.65 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.354 -174.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -71.82 -32.19 67.32 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 120.829 0.347 . . . . 0.0 110.727 175.63 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' ALA . . . . . 0.415 ' O ' ' HG2' ' B' ' 18' ' ' ARG . . . -68.4 -45.14 73.47 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.831 0.348 . . . . 0.0 110.14 175.746 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.473 ' HA ' ' HB3' ' B' ' 19' ' ' GLU . 21.8 t-160 -60.56 -27.08 67.41 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 123.351 0.66 . . . . 0.0 110.426 173.804 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.554 HD11 HG23 ' B' ' 50' ' ' ILE . 15.5 tp -67.9 -46.04 72.72 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 -179.683 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 18' ' ' ARG . . . . . 0.739 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 33.6 ptt180 -78.06 -29.42 49.25 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 176.194 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 19' ' ' GLU . . . . . 0.473 ' HB3' ' HA ' ' B' ' 16' ' ' HIS . 15.7 tp10 -50.57 -52.36 39.68 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.746 0.784 . . . . 0.0 110.155 177.398 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.96 -32.26 69.07 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.751 -1.113 . . . . 0.0 111.164 -179.013 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 21' ' ' TYR . . . . . 0.423 ' HA ' HD11 ' B' ' 36' ' ' ILE . 87.2 t80 -70.18 -50.8 36.53 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.218 -177.828 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.739 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 63.1 mt -58.18 -30.28 66.3 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.693 -177.683 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.36 -47.07 36.48 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.695 -0.684 . . . . 0.0 112.183 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 46.8 m-80 -108.04 16.05 23.75 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -172.265 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 14.6 ptmm? -75.46 -20.46 58.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.79 0.329 . . . . 0.0 111.321 -178.702 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -101.19 10.04 41.26 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.145 0.497 . . . . 0.0 110.751 -176.281 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 41.8 t -92.67 107.91 19.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.858 179.09 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -92.86 150.13 20.81 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.169 -178.455 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.71 21.21 60.14 Favored Glycine 0 N--CA 1.449 -0.446 0 N-CA-C 110.18 -1.168 . . . . 0.0 110.18 -172.21 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -142.81 151.02 40.73 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 114.795 -0.703 . . . . 0.0 110.217 -174.559 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 31' ' ' ASP . . . . . 0.502 ' HB2' ' HB3' ' B' ' 34' ' ' GLU . 9.8 m-20 -88.98 102.61 15.25 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 173.655 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.612 ' O ' HG12 ' B' ' 36' ' ' ILE . 9.8 p -58.67 -43.85 88.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.803 -176.022 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 33' ' ' VAL . . . . . 0.821 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 13.5 p -68.38 -35.43 70.75 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.594 0 C-N-CA 121.094 -0.242 . . . . 0.0 110.462 -176.774 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.502 ' HB3' ' HB2' ' B' ' 31' ' ' ASP . 35.0 tt0 -58.79 -46.11 88.32 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 175.249 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.75 -36.9 70.31 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.697 176.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.612 HG12 ' O ' ' B' ' 32' ' ' VAL . 7.0 mm -71.6 -63.69 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.037 179.691 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.821 ' HG ' ' O ' ' B' ' 33' ' ' VAL . 6.0 mt -48.37 -42.18 30.97 Favored 'General case' 0 N--CA 1.477 0.878 0 O-C-N 124.001 0.813 . . . . 0.0 111.902 -174.338 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.59 -25.16 22.62 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 -168.567 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 43.6 m80 -86.09 -29.9 23.0 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 119.997 -0.681 . . . . 0.0 111.399 -176.24 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.405 ' C ' ' H ' ' B' ' 42' ' ' THR . 0.5 OUTLIER -99.12 84.07 2.98 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.754 0.787 . . . . 0.0 111.032 175.952 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 -81.35 38.36 0.48 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.517 0.675 . . . . 0.0 110.473 -177.18 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' THR . . . . . 0.405 ' H ' ' C ' ' B' ' 40' ' ' LEU . 4.9 t -91.93 -22.67 19.91 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.263 -0.881 . . . . 0.0 109.477 176.621 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 2.3 m -121.81 115.19 30.82 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.5 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo -71.23 88.16 0.72 Allowed 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 121.943 1.762 . . . . 0.0 109.561 167.563 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 23.4 mtt85 -140.8 176.37 8.85 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.372 0.606 . . . . 0.0 112.381 -170.27 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 72.9 p -105.19 -172.45 2.1 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.831 -1.077 . . . . 0.0 110.562 -178.652 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' ARG . . . . . 0.499 ' O ' HG13 ' B' ' 51' ' ' ILE . 3.9 mmt180 -71.19 -50.78 29.57 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.0 0.428 . . . . 0.0 109.916 -175.315 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.509 ' HE2' ' OE1' ' B' ' 49' ' ' GLN . 21.2 ttpt -53.99 -36.42 62.91 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 115.224 -0.898 . . . . 0.0 112.264 -174.746 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.509 ' OE1' ' HE2' ' B' ' 48' ' ' LYS . 0.2 OUTLIER -55.83 -60.94 2.75 Favored 'General case' 0 C--O 1.239 0.532 0 CA-C-O 121.443 0.64 . . . . 0.0 111.381 -179.736 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.554 HG23 HD11 ' B' ' 17' ' ' LEU . 1.9 mp -61.51 -42.48 94.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.885 -177.676 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.499 HG13 ' O ' ' B' ' 47' ' ' ARG . 79.5 mt -52.98 -47.2 54.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.793 179.465 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 4.6 m80 -54.79 -51.38 65.96 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-N 115.267 -0.879 . . . . 0.0 112.199 -176.252 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' HIS . . . . . 0.43 ' HB2' ' CD2' ' B' ' 17' ' ' LEU . 96.7 m-70 -62.57 -35.17 78.65 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 120.595 -0.442 . . . . 0.0 111.801 -176.582 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 54' ' ' LEU . . . . . 0.502 HD22 HD11 ' B' ' 59' ' ' LEU . 91.8 mt -69.35 -48.28 61.8 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.789 0.328 . . . . 0.0 110.928 -176.08 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 21.8 m -72.28 -21.97 20.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.064 0.459 . . . . 0.0 110.593 179.385 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -78.0 -28.96 49.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.234 177.617 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 67.1 mtm -83.84 0.95 45.44 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.995 -0.282 . . . . 0.0 111.304 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 75.06 5.31 75.5 Favored Glycine 0 CA--C 1.511 -0.162 0 C-N-CA 120.977 -0.63 . . . . 0.0 112.645 175.455 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.502 HD11 HD22 ' B' ' 54' ' ' LEU . 4.1 pp -88.32 -13.55 40.47 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.489 0.662 . . . . 0.0 109.584 178.438 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -129.26 157.73 41.03 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.045 -0.979 . . . . 0.0 109.562 173.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -78.33 -66.6 0.83 Allowed 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -175.208 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 24.8 m -149.51 164.27 35.51 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.757 0.313 . . . . 0.0 111.246 -172.19 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 63' ' ' VAL . . . . . 0.405 HG22 HG22 ' B' ' 51' ' ' ILE . 46.3 t -66.34 -32.06 56.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.997 -179.459 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 64' ' ' LYS . . . . . 0.448 ' HA ' ' O ' ' B' ' 67' ' ' GLN . 9.6 mtpm? -55.89 -30.08 60.99 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.737 -0.665 . . . . 0.0 112.431 -178.561 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -73.77 -18.47 60.97 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.111 0.481 . . . . 0.0 110.52 -176.179 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 66' ' ' PHE . . . . . 0.423 ' CG ' HG23 ' B' ' 51' ' ' ILE . 0.2 OUTLIER -104.56 -48.73 3.72 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.175 -179.479 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 67' ' ' GLN . . . . . 0.448 ' O ' ' HA ' ' B' ' 64' ' ' LYS . 78.8 mm-40 -152.01 -177.47 6.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.228 -173.309 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -128.92 101.81 6.24 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.544 0.688 . . . . 0.0 110.355 -179.305 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 15.5 tppt? -144.64 -63.05 0.36 Allowed 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 175.463 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -80.28 138.54 19.97 Favored Glycine 0 N--CA 1.443 -0.861 0 N-CA-C 110.07 -1.212 . . . . 0.0 110.07 170.087 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 1.4 p -88.37 -179.46 6.11 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 121.532 0.682 . . . . 0.0 112.195 -176.049 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 72' ' ' HIS . . . . . 0.419 ' CD2' ' HG2' ' B' ' 113' ' ' ARG . 0.0 OUTLIER -80.82 17.96 1.08 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.885 -1.052 . . . . 0.0 109.687 172.745 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 73' ' ' ILE . . . . . 0.484 ' CD1' ' HE2' ' B' ' 117' ' ' LYS . 6.0 mm -78.42 111.71 15.58 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.843 0 CA-C-O 122.772 1.272 . . . . 0.0 112.939 -167.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 74' ' ' VAL . . . . . 0.49 HG11 ' HG2' ' B' ' 109' ' ' ARG . 0.2 OUTLIER -53.69 143.74 5.35 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 CA-C-N 112.049 -2.342 . . . . 0.0 109.394 167.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.93 102.7 0.06 Allowed 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.398 0.618 . . . . 0.0 111.434 -178.659 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 76' ' ' TRP . . . . . 0.611 ' CH2' HD23 ' B' ' 84' ' ' LEU . 20.7 m95 -90.33 113.13 24.93 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.264 177.792 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 24.9 p -124.53 175.11 7.37 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.562 178.257 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -53.98 -47.56 65.84 Favored Glycine 0 C--O 1.229 -0.205 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.465 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 79' ' ' ASP . . . . . 0.484 ' O ' ' HG3' ' B' ' 83' ' ' GLU . 8.8 m-20 -59.86 -56.56 20.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.812 0.339 . . . . 0.0 110.659 177.802 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 80' ' ' GLN . . . . . 0.456 ' NE2' ' HA ' ' B' ' 76' ' ' TRP . 0.1 OUTLIER -58.72 -40.64 84.29 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.022 -175.696 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -65.08 -48.69 72.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.374 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.415 HD13 ' C ' ' B' ' 82' ' ' LEU . 2.4 tm? -63.79 -42.5 97.72 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.976 -179.299 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 83' ' ' GLU . . . . . 0.484 ' HG3' ' O ' ' B' ' 79' ' ' ASP . 63.8 mt-10 -61.31 -44.63 96.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.696 0.284 . . . . 0.0 111.211 -179.397 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 84' ' ' LEU . . . . . 0.611 HD23 ' CH2' ' B' ' 76' ' ' TRP . 15.5 tp -72.45 -36.26 68.48 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.934 -0.306 . . . . 0.0 110.555 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -55.13 -61.55 2.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.229 178.319 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 86' ' ' ARG . . . . . 0.447 ' O ' ' HG2' ' B' ' 90' ' ' GLU . 55.6 mtp180 -60.5 -42.73 96.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.591 -175.179 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 87' ' ' LEU . . . . . 0.443 ' HG ' ' CE2' ' B' ' 91' ' ' PHE . 4.5 mp -60.6 -46.01 91.87 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.721 -179.212 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.655 ' O ' ' HB2' ' B' ' 92' ' ' ARG . 1.6 t80 -56.26 -35.75 67.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.791 178.69 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -76.99 -42.04 40.39 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 179.284 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 90' ' ' GLU . . . . . 0.447 ' HG2' ' O ' ' B' ' 86' ' ' ARG . 11.6 pt-20 -89.79 -25.33 21.15 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -167.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 91' ' ' PHE . . . . . 0.443 ' CE2' ' HG ' ' B' ' 87' ' ' LEU . 78.5 m-85 -95.33 12.74 28.07 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.599 0.714 . . . . 0.0 109.933 175.735 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 92' ' ' ARG . . . . . 0.655 ' HB2' ' O ' ' B' ' 88' ' ' PHE . 51.1 ttt180 -81.11 -12.09 59.34 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.243 -0.889 . . . . 0.0 111.625 -173.676 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -86.46 5.56 34.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.806 0.336 . . . . 0.0 111.066 -179.041 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 61.9 p -104.78 172.04 7.0 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 175.582 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 95' ' ' ASP . . . . . 0.535 ' HA ' ' HB3' ' B' ' 132' ' ' LYS . 28.9 m-20 -66.15 -27.58 68.13 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 -171.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -144.51 105.03 4.13 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.994 0.426 . . . . 0.0 110.499 179.329 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 97' ' ' VAL . . . . . 0.594 HG22 ' HA ' ' B' ' 92' ' ' ARG . 2.6 t -62.08 -54.56 32.77 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.362 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.636 -175.296 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 98' ' ' LEU . . . . . 0.526 ' H ' HD12 ' B' ' 98' ' ' LEU . 4.5 mp -63.22 -25.9 68.55 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.088 -0.96 . . . . 0.0 111.673 -170.633 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 99' ' ' GLY . . . . . 0.56 ' O ' ' HD3' ' B' ' 103' ' ' LYS . . . -66.87 -46.19 76.59 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.887 -0.673 . . . . 0.0 111.874 177.571 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 78.8 m80 -74.37 -28.58 61.17 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 178.427 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 101' ' ' ILE . . . . . 0.474 ' HB ' ' HA ' ' B' ' 98' ' ' LEU . 29.8 mt -57.37 -56.4 15.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.375 -0.829 . . . . 0.0 110.499 173.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 102' ' ' MET . . . . . 0.425 ' HG3' ' O ' ' B' ' 98' ' ' LEU . 60.4 mtt -60.43 -36.92 79.32 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.808 -177.661 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 103' ' ' LYS . . . . . 0.56 ' HD3' ' O ' ' B' ' 99' ' ' GLY . 5.3 mptp? -77.06 -18.73 57.86 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.667 -177.045 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -101.88 -27.17 13.14 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.914 -0.314 . . . . 0.0 111.612 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 105' ' ' ILE . . . . . 0.499 HG12 ' NH2' ' B' ' 109' ' ' ARG . 5.7 tp -90.36 149.01 4.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 121.7 0.762 . . . . 0.0 111.855 -170.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 106' ' ' THR . . . . . 0.425 ' N ' HG13 ' B' ' 105' ' ' ILE . 1.7 t -72.78 -28.15 62.43 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 114.861 -1.063 . . . . 0.0 111.227 -178.162 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 107' ' ' ALA . . . . . 0.403 ' H ' HG13 ' B' ' 105' ' ' ILE . . . -90.82 128.07 36.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.777 0.322 . . . . 0.0 110.92 -178.441 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 108' ' ' LYS . . . . . 0.419 ' HA ' ' HE3' ' B' ' 108' ' ' LYS . 0.0 OUTLIER -89.58 102.35 15.03 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.748 0.785 . . . . 0.0 109.631 176.511 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 109' ' ' ARG . . . . . 0.499 ' NH2' HG12 ' B' ' 105' ' ' ILE . 31.9 mtm180 -117.7 145.85 44.13 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.721 -1.127 . . . . 0.0 109.375 -177.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 37.6 t -84.91 160.91 20.03 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 179.294 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 111' ' ' ARG . . . . . 0.507 ' CZ ' ' HB2' ' B' ' 98' ' ' LEU . 10.6 mmt180 -55.96 -41.82 75.3 Favored 'General case' 0 C--N 1.33 -0.271 0 O-C-N 123.299 0.374 . . . . 0.0 110.433 179.659 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -58.87 -37.35 76.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.412 -179.567 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 113' ' ' ARG . . . . . 0.419 ' HG2' ' CD2' ' B' ' 72' ' ' HIS . 62.4 mtt180 -74.11 -39.96 63.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.813 0.34 . . . . 0.0 110.667 -178.462 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 114' ' ' ILE . . . . . 0.553 HG23 HD21 ' B' ' 84' ' ' LEU . 84.5 mt -74.11 -51.69 22.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.57 -173.741 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 115' ' ' VAL . . . . . 0.582 ' O ' HD23 ' B' ' 119' ' ' LEU . 20.1 m -63.24 -36.34 75.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-O 120.704 0.287 . . . . 0.0 110.6 -176.488 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -58.63 -42.14 87.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.51 0.672 . . . . 0.0 110.592 176.125 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 117' ' ' LYS . . . . . 0.505 ' O ' HD13 ' B' ' 121' ' ' LEU . 6.6 mmtm -79.68 -30.25 41.04 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.889 -175.118 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 118' ' ' LEU . . . . . 0.449 HD22 HD12 ' B' ' 123' ' ' LEU . 6.5 mt -62.59 -41.81 99.18 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.388 -0.525 . . . . 0.0 110.782 176.154 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 119' ' ' LEU . . . . . 0.582 HD23 ' O ' ' B' ' 115' ' ' VAL . 4.6 mm? -68.69 -26.53 65.34 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.587 178.365 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -83.77 -44.97 13.85 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.129 -177.66 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 121' ' ' LEU . . . . . 0.505 HD13 ' O ' ' B' ' 117' ' ' LYS . 10.0 mp -64.69 -24.98 67.75 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 121.102 0.477 . . . . 0.0 110.723 176.022 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 78.13 33.14 41.48 Favored Glycine 0 N--CA 1.442 -0.915 0 C-N-CA 120.735 -0.745 . . . . 0.0 111.306 -173.669 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 123' ' ' LEU . . . . . 0.449 HD12 HD22 ' B' ' 118' ' ' LEU . 40.8 mt -82.96 -17.75 42.42 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-O 121.638 0.732 . . . . 0.0 109.058 177.381 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 124' ' ' VAL . . . . . 0.669 HG22 ' H ' ' B' ' 125' ' ' ALA . 2.5 p -148.54 179.15 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.436 -1.165 0 CA-C-N 114.964 -1.016 . . . . 0.0 109.824 175.539 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 125' ' ' ALA . . . . . 0.669 ' H ' HG22 ' B' ' 124' ' ' VAL . . . -117.93 -7.23 10.93 Favored 'General case' 0 C--N 1.303 -1.418 0 CA-C-N 114.542 -1.208 . . . . 0.0 110.706 -179.143 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 126' ' ' GLU . . . . . 0.522 ' HG3' ' HG2' ' B' ' 129' ' ' GLU . 5.6 pt-20 -172.94 147.9 1.71 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.964 -168.779 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 127' ' ' ARG . . . . . 0.732 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 71.6 mtm-85 -69.92 -30.14 67.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.715 0.293 . . . . 0.0 111.627 -175.536 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 128' ' ' ARG . . . . . 0.517 ' HB3' ' O ' ' B' ' 141' ' ' SER . 9.6 ptt-85 -65.07 -6.94 10.07 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -178.317 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 129' ' ' GLU . . . . . 0.553 ' HB3' ' NH2' ' B' ' 92' ' ' ARG . 7.4 mm-40 -90.37 -23.74 21.01 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.077 0.465 . . . . 0.0 111.12 177.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 130' ' ' LEU . . . . . 0.732 ' HG ' ' O ' ' B' ' 127' ' ' ARG . 0.0 OUTLIER -96.19 10.92 36.24 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.575 176.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 131' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -131.33 111.65 12.05 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.12 -0.945 . . . . 0.0 108.918 172.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 132' ' ' LYS . . . . . 0.535 ' HB3' ' HA ' ' B' ' 95' ' ' ASP . 52.0 tttm -66.75 96.38 0.4 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.453 0.644 . . . . 0.0 109.417 177.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 36.9 tptt -130.49 157.13 43.5 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.107 -170.208 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 134' ' ' ARG . . . . . . . . . . . . . 18.8 mmt180 -96.32 91.97 6.12 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.015 0.436 . . . . 0.0 109.849 176.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -75.82 142.44 42.24 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.312 -178.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 28.2 mmtt -87.29 -145.38 0.13 Allowed 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 179.255 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 137' ' ' LYS . . . . . 0.517 ' HD3' ' N ' ' B' ' 138' ' ' LEU . 4.0 tmtm? -56.44 145.11 28.58 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 106.96 -1.496 . . . . 0.0 106.96 164.01 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 138' ' ' LEU . . . . . 0.517 ' N ' ' HD3' ' B' ' 137' ' ' LYS . 55.3 tp -44.66 104.39 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.411 0.624 . . . . 0.0 112.489 -170.286 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . -124.28 171.91 9.5 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.885 -1.052 . . . . 0.0 109.418 179.432 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 55.4 p -84.94 82.16 8.57 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 120.246 -0.582 . . . . 0.0 110.199 177.649 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 141' ' ' SER . . . . . 0.517 ' O ' ' HB3' ' B' ' 128' ' ' ARG . 22.7 t . . . . . 0 C--O 1.254 1.324 0 CA-C-O 117.972 -1.014 . . . . 0.0 109.063 173.001 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 2.1 p30 . . . . . 0 N--CA 1.477 0.912 0 N-CA-C 110.366 -0.235 . . . . 0.0 110.366 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -66.89 -41.86 9.54 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.408 2.072 . . . . 0.0 111.944 178.481 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 34.3 t -136.56 -54.23 0.73 Allowed 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 177.577 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -148.07 163.53 36.64 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 170.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 6.3 ppt_? -64.72 157.77 26.48 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.976 -0.29 . . . . 0.0 110.599 -179.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.493 ' HA ' ' O ' ' B' ' 44' ' ' PRO . . . -78.94 125.35 84.09 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-O 121.027 0.442 . . . . 0.0 111.952 -174.197 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -71.52 -176.31 1.93 Allowed 'Trans proline' 0 C--O 1.237 0.435 0 C-N-CA 123.56 2.84 . . . . 0.0 111.637 167.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 7.4 m -91.04 131.19 36.78 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 174.5 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 32.3 m95 -68.53 144.93 54.43 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.731 0.301 . . . . 0.0 110.998 -178.662 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 18.1 m -86.75 151.75 53.02 Favored Pre-proline 0 C--N 1.322 -0.598 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 175.557 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -49.73 -48.01 20.88 Favored 'Trans proline' 0 N--CA 1.477 0.533 0 C-N-CA 122.866 2.378 . . . . 0.0 112.813 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -64.86 -34.35 78.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.634 0.731 . . . . 0.0 110.594 178.08 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -72.44 -37.28 68.61 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.986 -1.006 . . . . 0.0 110.397 -176.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -70.14 -27.93 64.95 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.135 0.493 . . . . 0.0 110.156 175.159 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' ALA . . . . . 0.456 ' O ' ' HB2' ' B' ' 19' ' ' GLU . . . -68.69 -27.36 65.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.01 174.348 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.546 ' HA ' ' CB ' ' B' ' 19' ' ' GLU . 23.1 t-160 -83.36 -26.57 30.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.452 -0.794 . . . . 0.0 109.698 176.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -63.9 -51.03 66.39 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 175.53 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' ARG . . . . . 0.741 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 15.0 ptm180 -70.67 -32.34 69.57 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.994 174.349 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 19' ' ' GLU . . . . . 0.546 ' CB ' ' HA ' ' B' ' 16' ' ' HIS . 13.5 tp10 -49.01 -57.06 7.14 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 121.411 0.624 . . . . 0.0 110.702 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.449 HD11 ' HB2' ' B' ' 39' ' ' HIS . 3.2 mt -60.98 -38.14 84.93 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.026 -0.988 . . . . 0.0 111.433 -179.544 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 21' ' ' TYR . . . . . 0.484 ' HA ' HD11 ' B' ' 36' ' ' ILE . 54.5 t80 -70.37 -42.14 72.17 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.955 0.407 . . . . 0.0 111.028 -176.602 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.741 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 58.1 mt -69.91 -20.02 63.38 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.944 -177.072 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -89.2 -45.13 9.78 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.419 178.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -82.12 -10.72 59.09 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -173.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -67.08 -21.32 65.89 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 121.012 0.434 . . . . 0.0 110.369 175.64 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -89.71 -8.39 52.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.411 -178.458 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 42.1 t -92.42 125.95 44.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.862 -177.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -95.97 132.99 40.71 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.837 -175.091 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.42 -33.8 4.94 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.962 -0.637 . . . . 0.0 112.255 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' GLN . . . . . 0.51 ' OE1' ' HB2' ' B' ' 35' ' ' ALA . 1.0 OUTLIER -79.02 125.22 29.1 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 178.91 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -61.94 110.63 1.62 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.365 -178.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.668 ' O ' HG12 ' B' ' 36' ' ' ILE . 2.0 p -62.47 -40.08 86.77 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.363 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.846 -173.266 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 33' ' ' VAL . . . . . 0.696 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 0.8 OUTLIER -67.48 -40.13 83.86 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.561 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 -174.891 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.576 ' HA ' HD11 ' B' ' 37' ' ' LEU . 3.2 tm-20 -67.56 -40.14 84.93 Favored 'General case' 0 N--CA 1.441 -0.895 0 CA-C-N 115.283 -0.871 . . . . 0.0 109.442 -179.181 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 35' ' ' ALA . . . . . 0.51 ' HB2' ' OE1' ' B' ' 30' ' ' GLN . . . -55.84 -42.85 76.4 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.16 0.505 . . . . 0.0 110.868 179.476 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.668 HG12 ' O ' ' B' ' 32' ' ' VAL . 4.8 mm -69.36 -57.59 8.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.03 -176.605 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.696 ' HG ' ' O ' ' B' ' 33' ' ' VAL . 2.9 pp -64.83 -18.96 65.59 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.641 -0.709 . . . . 0.0 112.117 -176.184 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -79.77 -52.64 7.68 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 -177.415 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' HIS . . . . . 0.449 ' HB2' HD11 ' B' ' 20' ' ' LEU . 79.0 m80 -83.09 -24.14 32.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.814 0.34 . . . . 0.0 111.772 -168.019 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.561 ' HB2' ' NH2' ' B' ' 45' ' ' ARG . 16.0 mt -76.46 83.08 3.17 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.014 0.435 . . . . 0.0 111.653 -178.455 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 39.5 m-80 -104.93 38.49 1.91 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.637 0.732 . . . . 0.0 109.091 171.614 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' THR . . . . . 0.41 HG23 HG12 ' B' ' 43' ' ' VAL . 8.3 t -96.94 -19.06 19.07 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.409 -1.269 . . . . 0.0 109.416 176.774 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 43' ' ' VAL . . . . . 0.442 ' O ' ' HD3' ' B' ' 45' ' ' ARG . 7.3 p -149.88 124.32 4.66 Favored Pre-proline 0 N--CA 1.447 -0.625 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.05 -175.415 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 44' ' ' PRO . . . . . 0.493 ' O ' ' HA ' ' B' ' 6' ' ' ALA . 57.1 Cg_endo -75.73 120.39 5.82 Favored 'Trans proline' 0 N--CA 1.46 -0.462 0 C-N-CA 122.237 1.958 . . . . 0.0 112.007 177.563 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.561 ' NH2' ' HB2' ' B' ' 40' ' ' LEU . 0.0 OUTLIER -156.6 167.88 29.1 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 179.138 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 6.0 t -76.84 153.68 34.6 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 172.048 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' ARG . . . . . 0.509 ' CG ' HD22 ' B' ' 37' ' ' LEU . 0.1 OUTLIER -60.69 -25.03 66.09 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.309 0.576 . . . . 0.0 110.818 -178.407 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -55.37 -39.52 70.19 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.154 -0.93 . . . . 0.0 111.323 177.196 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -65.65 -33.83 76.81 Favored 'General case' 0 C--O 1.222 -0.352 0 CA-C-N 116.684 -0.234 . . . . 0.0 111.444 -175.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.511 HG21 ' HB ' ' B' ' 36' ' ' ILE . 2.9 mp -61.19 -59.1 4.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 120.957 0.408 . . . . 0.0 110.032 178.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.489 HG13 ' CD2' ' B' ' 66' ' ' PHE . 2.1 mp -54.74 -42.79 63.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.093 -0.958 . . . . 0.0 110.417 177.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 52' ' ' HIS . . . . . 0.572 ' HB3' ' NE2' ' B' ' 56' ' ' GLN . 2.7 m-70 -66.37 -53.67 33.31 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.265 -0.879 . . . . 0.0 112.06 -177.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -59.73 -33.6 71.84 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 111.762 0.282 . . . . 0.0 111.762 -175.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' LEU . . . . . 0.528 ' CD2' HD11 ' B' ' 59' ' ' LEU . 76.3 mt -65.25 -49.37 69.87 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.073 -179.003 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 11.7 m -76.77 -24.43 15.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.173 0.511 . . . . 0.0 110.452 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 56' ' ' GLN . . . . . 0.572 ' NE2' ' HB3' ' B' ' 52' ' ' HIS . 40.1 mt-30 -66.68 -33.4 75.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.361 177.624 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 73.6 mtm -91.64 11.05 25.67 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.889 0.376 . . . . 0.0 111.2 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 67.86 8.32 52.62 Favored Glycine 0 C--N 1.331 0.293 0 CA-C-N 115.741 -0.663 . . . . 0.0 113.273 173.547 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.528 HD11 ' CD2' ' B' ' 54' ' ' LEU . 4.5 pp -90.25 -18.71 25.16 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.527 0.68 . . . . 0.0 109.966 -178.704 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -110.33 161.02 16.04 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.43 172.486 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -72.13 -68.37 0.47 Allowed 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.792 178.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 58.8 m -164.72 176.17 9.05 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.2 0.524 . . . . 0.0 111.951 -175.7 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 63' ' ' VAL . . . . . 0.422 HG12 ' HB3' ' B' ' 68' ' ' ARG . 3.6 t -61.03 -24.69 33.81 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 CA-C-N 114.976 -1.011 . . . . 0.0 110.717 176.746 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 64' ' ' LYS . . . . . 0.51 ' HA ' ' O ' ' B' ' 68' ' ' ARG . 53.2 mtmt -61.64 -30.92 71.02 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.117 -0.947 . . . . 0.0 112.086 -177.004 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -82.17 -19.13 40.51 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.275 0.559 . . . . 0.0 110.943 -178.048 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 66' ' ' PHE . . . . . 0.489 ' CD2' HG13 ' B' ' 51' ' ' ILE . 44.9 m-85 -101.66 -46.71 4.86 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -172.486 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -139.79 -50.15 0.49 Allowed 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 -170.505 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 68' ' ' ARG . . . . . 0.51 ' O ' ' HA ' ' B' ' 64' ' ' LYS . 27.9 ttm180 -85.81 137.48 32.75 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.877 -169.728 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -52.37 127.61 22.84 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 171.697 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -36.81 116.84 0.38 Allowed Glycine 0 N--CA 1.448 -0.526 0 O-C-N 124.345 1.028 . . . . 0.0 112.237 174.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 71' ' ' THR . . . . . 0.463 ' H ' ' CD ' ' B' ' 64' ' ' LYS . 25.1 p -52.7 129.82 30.73 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.951 -0.625 . . . . 0.0 112.408 -170.635 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -72.45 -10.99 60.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.566 178.583 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -14.74 130.28 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 N-CA-C 115.989 1.848 . . . . 0.0 115.989 -162.217 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 74' ' ' VAL . . . . . 0.579 HG21 ' HG2' ' B' ' 109' ' ' ARG . 3.9 m -53.95 151.29 1.47 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.669 0 CA-C-N 112.723 -2.035 . . . . 0.0 109.847 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.545 ' O ' HD12 ' B' ' 75' ' ' LEU . 0.6 OUTLIER -50.13 90.98 0.0 OUTLIER 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 121.684 0.754 . . . . 0.0 113.023 -178.528 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 76' ' ' TRP . . . . . 0.71 ' CH2' HD23 ' B' ' 84' ' ' LEU . 17.8 m95 -88.45 109.27 19.89 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 171.455 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 69.6 p -101.12 160.26 14.54 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.782 176.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -54.01 -38.51 60.75 Favored Glycine 0 CA--C 1.519 0.283 0 C-N-CA 121.283 -0.484 . . . . 0.0 113.438 -177.473 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -74.76 -42.63 57.83 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.741 0.27 . . . . 0.0 111.589 -176.56 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -80.56 -25.39 38.61 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.671 -0.412 . . . . 0.0 110.354 -177.133 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -67.1 -44.48 79.89 Favored 'General case' 0 CA--C 1.52 -0.195 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 175.241 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 17.5 tp -63.59 -40.13 96.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.176 175.393 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 83' ' ' GLU . . . . . 0.42 ' O ' ' HB2' ' B' ' 87' ' ' LEU . 11.3 tp10 -56.14 -49.13 74.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.289 178.152 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 84' ' ' LEU . . . . . 0.71 HD23 ' CH2' ' B' ' 76' ' ' TRP . 26.0 tp -73.15 -31.29 64.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.784 179.746 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -56.07 -59.67 4.58 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 175.288 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 47.6 mtp180 -56.89 -44.63 82.48 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.914 177.636 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 87' ' ' LEU . . . . . 0.42 ' HB2' ' O ' ' B' ' 83' ' ' GLU . 4.6 tp -58.02 -50.18 74.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.117 -175.728 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -57.29 -46.89 82.69 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.283 179.326 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -65.45 -33.37 75.78 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.259 -178.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -84.2 -26.14 28.97 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.258 -172.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -107.77 -1.68 20.71 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.419 0.526 . . . . 0.0 112.419 -177.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 92' ' ' ARG . . . . . 0.456 ' HA ' ' HB ' ' B' ' 97' ' ' VAL . 25.8 ptt180 -72.76 -9.25 58.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.486 0.66 . . . . 0.0 109.711 175.568 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -58.95 -18.71 36.22 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.793 171.566 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 24.1 t -103.62 179.63 4.22 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 178.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 95' ' ' ASP . . . . . 0.488 ' O ' ' HA ' ' B' ' 132' ' ' LYS . 16.4 m-20 -71.89 -50.57 28.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.022 0.439 . . . . 0.0 110.63 -177.49 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -112.32 103.61 11.75 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.942 -178.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 97' ' ' VAL . . . . . 0.456 ' HB ' ' HA ' ' B' ' 92' ' ' ARG . 10.3 p -76.98 -34.59 22.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.624 -176.834 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 98' ' ' LEU . . . . . 0.469 ' HA ' HD12 ' B' ' 101' ' ' ILE . 4.1 mp -72.03 -32.35 67.05 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.335 0.494 . . . . 0.0 112.335 -172.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -59.49 -40.26 96.0 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.587 -0.816 . . . . 0.0 111.614 174.315 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 83.6 m-70 -77.72 -30.25 51.61 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 178.243 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 101' ' ' ILE . . . . . 0.478 ' O ' HG22 ' B' ' 105' ' ' ILE . 42.3 mt -56.55 -59.57 2.82 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.303 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.994 173.522 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 21.4 mmt -53.62 -37.75 63.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.077 -0.51 . . . . 0.0 112.092 -177.496 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -87.17 -11.49 49.78 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.16 -0.473 . . . . 0.0 112.271 -174.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -115.81 -15.98 11.23 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.385 -0.526 . . . . 0.0 112.2 -178.511 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 105' ' ' ILE . . . . . 0.478 HG22 ' O ' ' B' ' 101' ' ' ILE . 11.1 tp -91.91 156.98 2.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.427 0.632 . . . . 0.0 111.225 -177.615 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 106' ' ' THR . . . . . 0.452 ' N ' HG13 ' B' ' 105' ' ' ILE . 14.7 t -78.91 -43.78 24.07 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.276 -0.875 . . . . 0.0 111.416 -178.564 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 107' ' ' ALA . . . . . 0.4 ' N ' HG23 ' B' ' 106' ' ' THR . . . -85.26 126.81 33.99 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-O 120.615 0.245 . . . . 0.0 110.415 -178.02 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 9.0 mptt -91.84 102.72 15.32 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.506 0.669 . . . . 0.0 110.314 179.555 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 109' ' ' ARG . . . . . 0.579 ' HG2' HG21 ' B' ' 74' ' ' VAL . 12.7 mtm180 -104.13 -178.09 3.56 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.913 -1.04 . . . . 0.0 110.696 -178.011 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 110' ' ' SER . . . . . 0.473 ' O ' HG13 ' B' ' 114' ' ' ILE . 18.5 m -100.28 148.24 24.88 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.462 167.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 61.7 mtp180 -65.06 -36.68 85.11 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -172.488 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -58.77 -38.57 78.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.044 0.45 . . . . 0.0 111.899 -177.253 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 113' ' ' ARG . . . . . 0.486 ' O ' ' HB2' ' B' ' 117' ' ' LYS . 1.8 ptp180 -87.11 -19.25 28.8 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.559 -178.407 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 114' ' ' ILE . . . . . 0.473 HG13 ' O ' ' B' ' 110' ' ' SER . 77.5 mt -69.91 -50.99 44.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 175.117 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 115' ' ' VAL . . . . . 0.422 ' O ' HD23 ' B' ' 119' ' ' LEU . 27.0 m -61.63 -37.96 79.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.97 -178.157 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -74.24 -32.21 62.89 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.202 -177.437 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 117' ' ' LYS . . . . . 0.486 ' HB2' ' O ' ' B' ' 113' ' ' ARG . 6.2 tmtt? -72.09 -27.65 62.79 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.386 178.669 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 118' ' ' LEU . . . . . 0.567 HD22 HD12 ' B' ' 123' ' ' LEU . 19.7 mt -57.76 -46.52 84.41 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 121.086 0.469 . . . . 0.0 110.02 173.817 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 119' ' ' LEU . . . . . 0.422 HD23 ' O ' ' B' ' 115' ' ' VAL . 4.4 mm? -56.55 -36.26 69.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.484 178.236 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -73.39 -37.13 66.09 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.381 -178.195 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 121' ' ' LEU . . . . . 0.404 HD13 ' O ' ' B' ' 117' ' ' LYS . 10.9 mp -71.48 -25.41 62.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.031 0.443 . . . . 0.0 110.922 175.061 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 80.44 29.31 44.9 Favored Glycine 0 N--CA 1.442 -0.919 0 C-N-CA 120.649 -0.786 . . . . 0.0 111.275 -171.676 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 123' ' ' LEU . . . . . 0.567 HD12 HD22 ' B' ' 118' ' ' LEU . 43.8 mt -76.96 -21.41 54.81 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-O 121.607 0.718 . . . . 0.0 109.235 177.494 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 124' ' ' VAL . . . . . 0.425 HG21 ' CD2' ' B' ' 130' ' ' LEU . 12.2 m -147.9 177.64 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 114.59 -1.186 . . . . 0.0 109.605 176.111 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -117.73 -7.69 10.97 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.694 176.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -158.91 152.45 22.93 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 114.815 -1.084 . . . . 0.0 109.152 -175.341 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 127' ' ' ARG . . . . . 0.64 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 36.4 mtm-85 -74.9 -21.12 59.4 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.124 0.487 . . . . 0.0 110.496 177.813 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 128' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -51.22 -34.79 33.64 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 114.728 -1.124 . . . . 0.0 112.232 -179.573 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -73.48 -33.24 64.73 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -176.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 130' ' ' LEU . . . . . 0.64 ' HG ' ' O ' ' B' ' 127' ' ' ARG . 0.1 OUTLIER -91.62 20.45 5.44 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.341 0.591 . . . . 0.0 110.738 -176.627 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 131' ' ' TYR . . . . . 0.515 ' CE2' ' HB3' ' B' ' 127' ' ' ARG . 16.6 m-85 -122.23 134.37 54.7 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.173 -0.922 . . . . 0.0 109.022 178.669 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 132' ' ' LYS . . . . . 0.488 ' HA ' ' O ' ' B' ' 95' ' ' ASP . 44.5 pttt -32.09 -130.79 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 127.135 2.174 . . . . 0.0 116.365 -168.265 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 13.5 ptmm? -47.05 138.12 6.95 Favored 'General case' 0 C--O 1.236 0.348 0 O-C-N 121.333 -0.854 . . . . 0.0 112.157 -168.098 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 134' ' ' ARG . . . . . . . . . . . . . 22.2 mmt180 -77.86 82.45 4.24 Favored 'General case' 0 CA--C 1.509 -0.613 0 CA-C-N 114.194 -1.366 . . . . 0.0 110.89 -166.568 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.03 97.22 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 113.212 -1.813 . . . . 0.0 112.498 171.248 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 58.3 mtmt -96.19 53.25 1.33 Allowed 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 168.584 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 19.6 tptm -148.98 145.67 27.45 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 112.935 -1.939 . . . . 0.0 107.365 -174.351 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 90.6 mt -67.49 80.12 0.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.191 0.519 . . . . 0.0 111.0 179.07 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . -119.82 136.09 54.61 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.994 178.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 30.6 m -88.79 80.87 7.09 Favored 'General case' 0 N--CA 1.44 -0.944 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 175.662 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 141' ' ' SER . . . . . . . . . . . . . 65.9 m . . . . . 0 C--O 1.247 0.943 0 CA-C-O 118.594 -0.717 . . . . 0.0 109.804 172.609 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' ASP . . . . . 0.496 ' HB3' HG22 ' B' ' 46' ' ' THR . 0.2 OUTLIER . . . . . 0 N--CA 1.48 1.047 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 2' ' ' PRO . . . . . 0.468 ' HD2' ' HB2' ' B' ' 1' ' ' ASP . 7.8 Cg_endo -50.33 -46.83 26.99 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 123.208 2.605 . . . . 0.0 114.278 -178.653 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 24.8 t -148.32 -54.4 0.2 Allowed 'General case' 0 C--O 1.234 0.282 0 N-CA-C 113.072 0.768 . . . . 0.0 113.072 -172.621 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' ARG . . . . . 0.462 ' O ' ' HA ' ' B' ' 45' ' ' ARG . 75.0 mtp85 -139.39 138.92 36.96 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 111.976 0.361 . . . . 0.0 111.976 -167.788 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -79.86 64.69 4.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.869 0.842 . . . . 0.0 109.518 170.793 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.776 ' O ' ' HB3' ' B' ' 45' ' ' ARG . . . -111.07 142.0 25.4 Favored Pre-proline 0 C--N 1.32 -0.678 0 CA-C-N 114.955 -1.02 . . . . 0.0 112.818 -168.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -94.35 119.12 0.29 Allowed 'Trans proline' 0 N--CA 1.44 -1.618 0 C-N-CA 121.875 1.717 . . . . 0.0 113.137 162.182 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' THR . . . . . 0.55 ' OG1' HG23 ' B' ' 43' ' ' VAL . 36.6 p -134.68 93.5 3.05 Favored 'General case' 0 C--N 1.31 -1.147 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 162.796 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 59.3 m95 -133.83 128.08 33.96 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.534 -170.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 33.8 p -89.4 165.65 24.89 Favored Pre-proline 0 C--N 1.313 -0.98 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 173.706 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -51.36 -33.42 46.08 Favored 'Trans proline' 0 N--CA 1.462 -0.344 0 C-N-CA 122.138 1.892 . . . . 0.0 111.292 171.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -73.51 -37.47 65.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.212 177.246 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.483 ' CD ' HG21 ' B' ' 42' ' ' THR . 6.8 tp10 -68.12 -42.81 79.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.521 0.2 . . . . 0.0 111.332 -173.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -73.52 -25.05 60.24 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.264 -0.574 . . . . 0.0 110.476 177.547 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' ALA . . . . . 0.488 ' O ' ' HB2' ' B' ' 19' ' ' GLU . . . -71.12 -26.35 62.98 Favored 'General case' 0 C--O 1.225 -0.219 0 CA-C-O 121.454 0.645 . . . . 0.0 109.671 171.782 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.496 ' O ' ' HB3' ' B' ' 19' ' ' GLU . 11.4 t-160 -81.71 -28.76 33.28 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.737 -1.12 . . . . 0.0 110.147 176.562 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.538 ' CD2' ' HB2' ' B' ' 53' ' ' HIS . 21.9 tp -67.75 -45.66 74.31 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.701 176.843 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 18' ' ' ARG . . . . . 0.818 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 12.0 ptm180 -72.16 -33.39 67.68 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 175.341 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 19' ' ' GLU . . . . . 0.496 ' HB3' ' O ' ' B' ' 16' ' ' HIS . 8.3 tp10 -50.58 -50.78 52.84 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.156 177.681 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.454 ' HB3' HG12 ' B' ' 36' ' ' ILE . 0.4 OUTLIER -69.2 -33.17 72.94 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.675 -1.148 . . . . 0.0 111.445 -178.479 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -68.63 -50.58 50.31 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 121.421 0.629 . . . . 0.0 109.968 -178.024 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.818 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 16.3 mt -63.14 -26.48 68.83 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.915 -1.038 . . . . 0.0 111.21 -178.264 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.4 -30.32 37.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.045 -0.525 . . . . 0.0 112.373 -175.262 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 45.5 m-80 -119.99 22.65 11.39 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -173.662 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -85.37 -13.66 48.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.954 0.407 . . . . 0.0 111.156 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -98.84 23.91 8.28 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.907 0.86 . . . . 0.0 110.431 -177.506 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 21.8 t -113.36 108.01 24.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.586 -176.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -88.29 143.36 27.07 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.223 -176.665 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.95 27.45 49.99 Favored Glycine 0 N--CA 1.447 -0.578 0 N-CA-C 110.394 -1.083 . . . . 0.0 110.394 -173.3 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.47 151.69 39.54 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.009 -0.596 . . . . 0.0 110.679 -173.268 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -95.41 107.22 19.35 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 172.623 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.561 ' O ' HG13 ' B' ' 36' ' ' ILE . 9.3 p -58.45 -33.15 47.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 178.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 33' ' ' VAL . . . . . 0.794 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 3.1 t -55.26 -58.77 3.49 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.598 0 CA-C-N 114.736 -1.12 . . . . 0.0 110.03 175.665 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.485 ' HA ' HD12 ' B' ' 37' ' ' LEU . 8.7 tp10 -60.2 -34.13 73.2 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.655 -175.27 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.64 -46.26 87.5 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 121.553 0.692 . . . . 0.0 109.587 176.376 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.561 HG13 ' O ' ' B' ' 32' ' ' VAL . 35.7 mt -69.82 -56.21 12.22 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.425 179.161 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.794 ' HG ' ' O ' ' B' ' 33' ' ' VAL . 28.0 mt -43.49 -43.5 5.44 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 124.049 0.843 . . . . 0.0 112.07 -175.044 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -85.67 -35.01 21.17 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 -171.533 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' HIS . . . . . 0.448 ' HB2' HD11 ' B' ' 20' ' ' LEU . 32.2 m80 -75.8 -30.61 59.12 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 -169.745 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.616 ' HG ' ' O ' ' B' ' 40' ' ' LEU . 1.8 pt? -99.79 83.52 2.76 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 122.388 1.09 . . . . 0.0 111.393 -178.521 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 23.6 p-10 -84.31 40.61 0.78 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.243 -0.89 . . . . 0.0 109.639 175.005 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' THR . . . . . 0.483 HG21 ' CD ' ' B' ' 13' ' ' GLU . 5.0 t -96.58 -29.74 13.69 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.76 -1.109 . . . . 0.0 110.806 -175.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 43' ' ' VAL . . . . . 0.55 HG23 ' OG1' ' B' ' 8' ' ' THR . 3.9 p -131.57 130.69 22.49 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.698 -174.107 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -80.8 101.94 1.34 Allowed 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 122.667 2.244 . . . . 0.0 111.922 177.355 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.776 ' HB3' ' O ' ' B' ' 6' ' ' ALA . 0.0 OUTLIER -156.53 169.21 25.17 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.647 -178.055 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 46' ' ' THR . . . . . 0.527 ' OG1' ' HG2' ' B' ' 49' ' ' GLN . 82.4 p -76.72 176.83 8.08 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.969 0.414 . . . . 0.0 111.005 -178.497 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 47' ' ' ARG . . . . . 0.527 ' HD2' ' HB3' ' B' ' 37' ' ' LEU . 27.4 mmt180 -73.93 -29.74 62.19 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 177.724 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 25.1 ttpp -62.11 -36.74 82.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.056 -0.975 . . . . 0.0 110.852 176.156 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.527 ' HG2' ' OG1' ' B' ' 46' ' ' THR . 15.5 mm100 -60.86 -38.92 87.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.271 -178.04 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.507 HG23 HD11 ' B' ' 17' ' ' LEU . 2.1 mp -61.19 -54.81 30.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.894 0.378 . . . . 0.0 110.107 176.357 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.429 HG21 HG13 ' B' ' 63' ' ' VAL . 63.9 mt -59.46 -45.4 93.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.379 -176.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 52' ' ' HIS . . . . . 0.493 ' O ' ' HB2' ' B' ' 56' ' ' GLN . 1.7 m-70 -60.75 -39.35 88.37 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.181 -175.22 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 53' ' ' HIS . . . . . 0.538 ' HB2' ' CD2' ' B' ' 17' ' ' LEU . 71.3 m-70 -69.95 -28.82 65.88 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.521 -0.472 . . . . 0.0 110.901 179.725 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 54' ' ' LEU . . . . . 0.504 HD22 HD11 ' B' ' 59' ' ' LEU . 75.5 mt -74.53 -49.46 21.89 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.216 0.532 . . . . 0.0 110.509 -177.302 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 55' ' ' VAL . . . . . 0.457 ' HA ' ' HB3' ' B' ' 60' ' ' ALA . 18.6 m -70.66 -30.9 44.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.547 -179.479 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 56' ' ' GLN . . . . . 0.493 ' HB2' ' O ' ' B' ' 52' ' ' HIS . 25.0 mt-30 -75.78 -18.53 59.49 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.048 176.755 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.64 ' SD ' ' HD2' ' B' ' 18' ' ' ARG . 23.1 ttm -82.83 -11.02 58.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.097 0.475 . . . . 0.0 110.337 -179.053 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 86.78 2.28 84.48 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.619 178.422 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.504 HD11 HD22 ' B' ' 54' ' ' LEU . 4.2 pp -87.83 -9.55 53.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.323 0.582 . . . . 0.0 109.986 179.099 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 60' ' ' ALA . . . . . 0.457 ' HB3' ' HA ' ' B' ' 55' ' ' VAL . . . -132.88 164.91 25.84 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.107 173.355 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -74.67 -66.17 0.78 Allowed 'General case' 0 CA--C 1.514 -0.432 0 CA-C-O 120.828 0.347 . . . . 0.0 111.002 177.683 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 16.9 p -157.2 173.79 16.44 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.954 -176.409 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 63' ' ' VAL . . . . . 0.429 HG13 HG21 ' B' ' 51' ' ' ILE . 91.6 t -64.95 -28.37 44.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.495 -177.169 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 13.8 pttm -63.0 -28.57 70.2 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.663 0.744 . . . . 0.0 110.876 -177.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -68.17 -20.17 64.85 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.756 -1.111 . . . . 0.0 110.855 178.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 66' ' ' PHE . . . . . 0.408 ' HD1' HG22 ' B' ' 33' ' ' VAL . 0.8 OUTLIER -102.09 -47.36 4.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.814 0.816 . . . . 0.0 109.07 176.18 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -134.78 87.99 2.39 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.373 -1.285 . . . . 0.0 109.693 -178.022 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 41.0 ttp180 -69.29 83.99 0.38 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.694 0.759 . . . . 0.0 111.032 -179.235 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 46.4 tttp -155.54 -50.16 0.08 Allowed 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 114.756 -1.111 . . . . 0.0 109.024 177.205 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -86.02 72.91 2.62 Favored Glycine 0 N--CA 1.445 -0.723 0 CA-C-N 115.481 -0.781 . . . . 0.0 112.145 179.562 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.46 134.27 35.96 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-O 121.288 0.566 . . . . 0.0 110.631 176.104 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 48.0 p-80 -68.93 49.28 0.07 Allowed 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 114.859 -1.064 . . . . 0.0 111.39 177.166 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 73' ' ' ILE . . . . . 0.504 HG12 HH11 ' B' ' 113' ' ' ARG . 0.6 OUTLIER -62.52 118.02 4.28 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.815 0 CA-C-O 122.54 1.162 . . . . 0.0 110.781 -177.762 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 74' ' ' VAL . . . . . 0.487 HG11 ' HG2' ' B' ' 109' ' ' ARG . 61.1 t -54.81 133.6 18.19 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.426 0 CA-C-N 112.368 -2.196 . . . . 0.0 109.01 173.643 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.592 ' O ' ' HG ' ' B' ' 75' ' ' LEU . 2.3 pt? -47.66 94.93 0.01 OUTLIER 'General case' 0 C--N 1.316 -0.849 0 O-C-N 124.275 0.984 . . . . 0.0 110.808 178.587 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 76' ' ' TRP . . . . . 0.504 ' CH2' HD22 ' B' ' 84' ' ' LEU . 44.6 m95 -95.99 108.12 20.48 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.493 -177.397 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 44.4 p -123.05 176.27 6.13 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.09 -0.959 . . . . 0.0 108.816 179.387 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -61.88 -42.62 99.76 Favored Glycine 0 N--CA 1.453 -0.177 0 C-N-CA 120.481 -0.866 . . . . 0.0 111.37 177.289 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -64.29 -49.73 70.67 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.89 0.376 . . . . 0.0 110.678 177.268 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.72 -33.45 75.14 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.272 -178.282 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -78.4 -39.7 38.21 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.862 -177.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 20.9 tp -61.52 -40.65 95.41 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 174.283 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 83' ' ' GLU . . . . . 0.455 ' O ' ' HB2' ' B' ' 87' ' ' LEU . 8.5 mm-40 -56.2 -45.03 79.98 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.336 175.183 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 84' ' ' LEU . . . . . 0.504 HD22 ' CH2' ' B' ' 76' ' ' TRP . 31.6 tp -60.62 -48.85 79.95 Favored 'General case' 0 C--N 1.333 -0.139 0 O-C-N 123.365 0.416 . . . . 0.0 110.854 175.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -54.47 -56.29 20.23 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 123.572 0.545 . . . . 0.0 110.782 -176.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 7.6 mtp180 -60.17 -51.49 69.38 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 120.82 -0.352 . . . . 0.0 111.23 178.623 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 87' ' ' LEU . . . . . 0.593 HD23 HG23 ' B' ' 101' ' ' ILE . 12.2 tp -53.0 -47.94 67.89 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.13 -177.079 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.424 ' O ' ' HG3' ' B' ' 92' ' ' ARG . 44.1 t80 -62.57 -59.8 4.42 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.256 -179.308 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.492 ' OE1' ' HD2' ' B' ' 92' ' ' ARG . 6.2 mm-40 -54.96 -41.58 71.3 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-O 121.482 0.658 . . . . 0.0 111.564 -176.791 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -71.14 -20.22 62.34 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 115.068 -0.969 . . . . 0.0 112.374 -175.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -118.82 13.65 13.22 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 92' ' ' ARG . . . . . 0.492 ' HD2' ' OE1' ' B' ' 89' ' ' GLU . 18.9 mtp180 -61.67 -27.49 68.72 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-O 120.883 0.373 . . . . 0.0 111.138 -179.051 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -65.93 5.7 0.46 Allowed 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.144 -0.934 . . . . 0.0 112.453 -178.182 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 20.1 m -104.71 142.91 33.85 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 172.676 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -66.57 -13.92 61.67 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 120.834 0.35 . . . . 0.0 110.947 -177.666 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -137.11 87.63 2.29 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 169.581 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 97' ' ' VAL . . . . . 0.425 HG12 ' O ' ' B' ' 130' ' ' LEU . 7.6 p -70.85 -31.24 44.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.897 -177.616 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 98' ' ' LEU . . . . . 0.532 ' O ' ' HG2' ' B' ' 102' ' ' MET . 5.4 mp -64.74 -32.68 74.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.491 -176.385 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 99' ' ' GLY . . . . . 0.561 ' O ' ' HD3' ' B' ' 103' ' ' LYS . . . -58.1 -45.7 93.6 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.503 -0.856 . . . . 0.0 111.07 174.358 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 18.0 m-70 -69.47 -34.72 74.77 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.578 -0.526 . . . . 0.0 109.578 178.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 101' ' ' ILE . . . . . 0.593 HG23 HD23 ' B' ' 87' ' ' LEU . 29.4 mt -59.54 -65.09 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.007 -179.344 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 102' ' ' MET . . . . . 0.532 ' HG2' ' O ' ' B' ' 98' ' ' LEU . 7.5 ptp -66.59 -19.46 65.78 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 -172.183 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 103' ' ' LYS . . . . . 0.561 ' HD3' ' O ' ' B' ' 99' ' ' GLY . 5.5 mptp? -86.36 -36.78 19.01 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.735 177.77 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -94.01 -4.95 48.64 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.211 0.448 . . . . 0.0 112.211 -174.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 105' ' ' ILE . . . . . 0.532 HG13 ' H ' ' B' ' 107' ' ' ALA . 7.0 tp -91.73 148.66 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.358 0.599 . . . . 0.0 110.946 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 106' ' ' THR . . . . . 0.454 ' N ' HG13 ' B' ' 105' ' ' ILE . 6.1 t -63.73 -21.7 66.53 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.994 -1.003 . . . . 0.0 111.845 -177.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 107' ' ' ALA . . . . . 0.532 ' H ' HG13 ' B' ' 105' ' ' ILE . . . -112.32 128.68 56.35 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.517 -178.162 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 108' ' ' LYS . . . . . 0.481 ' HA ' ' HE3' ' B' ' 108' ' ' LYS . 0.0 OUTLIER -77.73 101.8 6.83 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.492 0.663 . . . . 0.0 109.82 -179.299 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 109' ' ' ARG . . . . . 0.487 ' HG2' HG11 ' B' ' 74' ' ' VAL . 23.5 mtt85 -105.53 160.6 15.05 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.045 -178.185 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 42.0 t -98.37 165.41 11.87 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.549 171.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 111' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' B' ' 111' ' ' ARG . 12.8 mmt85 -58.09 -44.2 87.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.406 -176.477 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -61.06 -25.22 66.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.643 -178.072 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 113' ' ' ARG . . . . . 0.604 ' NE ' ' HA ' ' B' ' 113' ' ' ARG . 2.3 mmp_? -81.31 -32.46 33.08 Favored 'General case' 0 CA--C 1.509 -0.633 0 CA-C-O 121.315 0.579 . . . . 0.0 110.871 -178.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 114' ' ' ILE . . . . . 0.435 ' HB ' HD23 ' B' ' 98' ' ' LEU . 57.0 mt -83.66 -42.61 17.54 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.158 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.6 -174.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 115' ' ' VAL . . . . . 0.57 ' O ' HD23 ' B' ' 119' ' ' LEU . 34.6 m -63.29 -38.34 81.87 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.134 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.473 179.045 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -61.73 -48.21 81.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.249 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 117' ' ' LYS . . . . . 0.518 ' O ' HD13 ' B' ' 121' ' ' LEU . 0.4 OUTLIER -70.73 -29.62 65.93 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 120.389 -0.525 . . . . 0.0 111.659 -173.953 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 118' ' ' LEU . . . . . 0.44 ' HB3' HG22 ' B' ' 124' ' ' VAL . 13.3 mt -58.54 -46.35 87.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.905 0.383 . . . . 0.0 110.732 178.001 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 119' ' ' LEU . . . . . 0.57 HD23 ' O ' ' B' ' 115' ' ' VAL . 4.3 mm? -63.42 -32.13 73.48 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.561 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -73.12 -40.25 65.08 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.76 -177.519 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 121' ' ' LEU . . . . . 0.518 HD13 ' O ' ' B' ' 117' ' ' LYS . 9.7 mp -73.97 -24.27 59.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.146 174.401 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 77.56 30.77 52.56 Favored Glycine 0 N--CA 1.444 -0.771 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.427 -174.663 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 123' ' ' LEU . . . . . 0.413 ' HB3' ' CE1' ' B' ' 88' ' ' PHE . 59.1 mt -75.07 -19.98 59.74 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.861 0.839 . . . . 0.0 109.238 179.108 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 124' ' ' VAL . . . . . 0.445 HG21 ' CD2' ' B' ' 130' ' ' LEU . 30.6 m -141.14 170.43 13.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 114.31 -1.314 . . . . 0.0 110.107 176.773 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -99.0 -22.42 15.74 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.789 177.586 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 126' ' ' GLU . . . . . 0.518 ' OE2' ' HB3' ' B' ' 141' ' ' SER . 5.5 pt-20 -169.09 -179.63 3.67 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.336 -0.847 . . . . 0.0 108.989 -179.553 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 127' ' ' ARG . . . . . 0.712 ' HA ' HD21 ' B' ' 130' ' ' LEU . 48.4 mtp180 -72.54 -21.86 61.1 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -177.06 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 128' ' ' ARG . . . . . 0.445 ' H ' ' HG3' ' B' ' 126' ' ' GLU . 4.5 ttm180 -56.97 -38.49 73.05 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.818 0.342 . . . . 0.0 111.458 174.795 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -71.08 -15.84 62.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.839 -0.619 . . . . 0.0 112.584 -171.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 130' ' ' LEU . . . . . 0.712 HD21 ' HA ' ' B' ' 127' ' ' ARG . 0.1 OUTLIER -95.0 2.54 55.36 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.312 0.577 . . . . 0.0 110.709 -177.675 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 131' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -127.23 91.35 3.3 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 107.926 -1.138 . . . . 0.0 107.926 173.457 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -76.62 59.7 1.56 Allowed 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 113.636 0.976 . . . . 0.0 113.636 -165.32 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 133' ' ' LYS . . . . . 0.593 ' O ' ' HD2' ' B' ' 134' ' ' ARG . 41.0 pttt -144.68 69.15 1.25 Allowed 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 122.257 1.027 . . . . 0.0 111.473 160.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 134' ' ' ARG . . . . . 0.593 ' HD2' ' O ' ' B' ' 133' ' ' LYS . 6.0 mpt_? -144.82 71.7 1.31 Allowed 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 104.582 -2.377 . . . . 0.0 104.582 157.547 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -116.16 87.31 2.65 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 114.717 -1.128 . . . . 0.0 111.138 -176.187 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -134.93 -174.07 3.49 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.187 178.534 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 137' ' ' LYS . . . . . 0.783 ' HD3' ' H ' ' B' ' 137' ' ' LYS . 0.0 OUTLIER -71.11 82.63 0.7 Allowed 'General case' 0 CA--C 1.548 0.868 0 CA-C-O 122.624 1.202 . . . . 0.0 111.754 -179.77 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.27 168.94 18.88 Favored 'General case' 0 C--N 1.314 -0.958 0 O-C-N 121.113 -0.992 . . . . 0.0 111.239 174.705 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . -78.25 -174.53 3.74 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.435 177.293 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 13.0 p -62.0 139.69 58.4 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.475 178.081 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 141' ' ' SER . . . . . 0.518 ' HB3' ' OE2' ' B' ' 126' ' ' GLU . 32.8 m . . . . . 0 C--O 1.248 0.994 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.516 -177.291 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 25.4 t70 . . . . . 0 N--CA 1.484 1.264 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' PRO . . . . . 0.439 ' HA ' ' HB3' ' B' ' 44' ' ' PRO . 22.0 Cg_exo -67.84 30.93 0.14 Allowed 'Trans proline' 0 C--N 1.366 1.448 0 C-N-CA 122.553 2.168 . . . . 0.0 114.583 -176.76 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 8.1 t -147.2 26.0 1.09 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.664 0.745 . . . . 0.0 109.681 175.31 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' ARG . . . . . 0.47 ' NE ' ' HA ' ' B' ' 4' ' ' ARG . 5.7 mmp_? -88.78 -164.07 1.08 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.329 176.805 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 16.0 tpp180 -43.82 112.45 0.39 Allowed 'General case' 0 N--CA 1.464 0.25 0 O-C-N 123.773 0.67 . . . . 0.0 111.103 177.616 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.08 146.82 90.41 Favored Pre-proline 0 N--CA 1.449 -0.502 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.988 -176.319 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_endo -91.6 -177.11 0.93 Allowed 'Trans proline' 0 N--CA 1.448 -1.185 0 C-N-CA 123.11 2.54 . . . . 0.0 111.694 173.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 3.9 p -94.6 140.39 29.92 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.659 177.572 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' TRP . . . . . 0.411 ' CH2' HD13 ' B' ' 17' ' ' LEU . 32.2 m95 -74.78 166.33 23.78 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.566 -179.586 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 47.2 m -135.74 153.58 77.44 Favored Pre-proline 0 C--N 1.319 -0.73 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 178.224 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -41.31 -44.71 5.72 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 123.632 2.888 . . . . 0.0 113.928 -175.092 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' GLU . . . . . 0.466 ' H ' ' CD ' ' B' ' 12' ' ' GLU . 1.7 mp0 -58.0 -50.38 73.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.132 0.491 . . . . 0.0 110.989 179.751 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.441 ' CD ' HG21 ' B' ' 42' ' ' THR . 6.3 tp10 -75.71 -31.49 59.68 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.6 -175.173 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -70.26 -34.4 72.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.202 0.525 . . . . 0.0 109.85 177.077 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' ALA . . . . . 0.404 ' O ' ' HB2' ' B' ' 19' ' ' GLU . . . -66.61 -33.81 76.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.943 -0.572 . . . . 0.0 109.897 173.644 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.531 ' O ' ' HB3' ' B' ' 19' ' ' GLU . 14.3 t-160 -74.12 -27.25 60.78 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.23 176.027 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.455 HD21 ' HB2' ' B' ' 53' ' ' HIS . 34.6 tp -67.37 -46.62 72.78 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.234 -0.439 . . . . 0.0 109.992 177.08 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 18' ' ' ARG . . . . . 0.737 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 38.3 ptt180 -72.42 -28.25 62.85 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 175.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 19' ' ' GLU . . . . . 0.531 ' HB3' ' O ' ' B' ' 16' ' ' HIS . 8.1 tp10 -53.54 -51.56 62.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.294 179.637 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.453 HD11 ' HB2' ' B' ' 39' ' ' HIS . 0.4 OUTLIER -75.75 -26.82 57.77 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.167 -0.924 . . . . 0.0 111.245 -178.481 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -71.09 -50.37 34.4 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-O 121.035 0.445 . . . . 0.0 110.114 179.558 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.737 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 51.7 mt -63.14 -25.75 68.5 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.285 -178.243 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.17 -54.75 11.51 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.477 178.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -96.14 2.57 53.24 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 -171.529 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -77.16 -12.96 60.01 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.458 178.619 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -93.52 9.79 35.21 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.863 0.839 . . . . 0.0 110.019 178.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 31.2 t -108.32 107.49 22.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.678 -176.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -79.89 148.1 31.43 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.093 177.693 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.59 7.24 87.72 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.138 -179.631 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' GLN . . . . . 0.467 ' HG2' ' N ' ' B' ' 31' ' ' ASP . 36.7 tt0 -131.39 153.2 49.92 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.135 0.493 . . . . 0.0 111.019 -178.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 31' ' ' ASP . . . . . 0.467 ' N ' ' HG2' ' B' ' 30' ' ' GLN . 38.3 m-20 -86.99 115.39 24.34 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.862 171.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.455 ' O ' HG13 ' B' ' 36' ' ' ILE . 8.1 p -65.96 -34.58 71.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.148 178.216 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 33' ' ' VAL . . . . . 0.694 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 1.3 p -58.36 -51.15 74.81 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.784 -177.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -65.78 -29.26 69.72 Favored 'General case' 0 CA--C 1.521 -0.149 0 C-N-CA 121.11 -0.236 . . . . 0.0 111.504 -178.586 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' ALA . . . . . 0.424 ' HB2' ' NE2' ' B' ' 30' ' ' GLN . . . -63.78 -46.27 86.01 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.558 0.695 . . . . 0.0 110.177 176.578 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.466 HD13 HD11 ' B' ' 54' ' ' LEU . 28.6 mt -70.39 -62.43 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.096 -176.675 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.694 ' HG ' ' O ' ' B' ' 33' ' ' VAL . 2.9 pp -57.89 -26.48 62.2 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 112.958 0.725 . . . . 0.0 112.958 -171.671 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 38' ' ' ALA . . . . . 0.574 ' N ' HD12 ' B' ' 37' ' ' LEU . . . -88.35 -41.67 12.7 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 -176.688 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 39' ' ' HIS . . . . . 0.453 ' HB2' HD11 ' B' ' 20' ' ' LEU . 59.4 m80 -75.57 -30.37 59.65 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.492 -0.483 . . . . 0.0 111.244 -175.64 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.408 ' HB3' ' CE1' ' B' ' 16' ' ' HIS . 1.0 OUTLIER -103.4 80.54 1.83 Allowed 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 122.263 1.03 . . . . 0.0 110.948 172.241 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -89.21 39.81 0.96 Allowed 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.177 -0.919 . . . . 0.0 109.366 176.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' THR . . . . . 0.441 HG21 ' CD ' ' B' ' 13' ' ' GLU . 2.6 t -88.72 -28.59 20.45 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.43 -1.259 . . . . 0.0 110.73 -177.285 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 43' ' ' VAL . . . . . 0.564 ' O ' ' HD3' ' B' ' 45' ' ' ARG . 0.2 OUTLIER -112.66 126.08 28.9 Favored Pre-proline 0 C--N 1.326 -0.448 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 -179.73 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 44' ' ' PRO . . . . . 0.439 ' HB3' ' HA ' ' B' ' 2' ' ' PRO . 53.2 Cg_endo -76.8 102.73 1.65 Allowed 'Trans proline' 0 N--CA 1.46 -0.452 0 C-N-CA 121.505 1.47 . . . . 0.0 111.171 171.797 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.564 ' HD3' ' O ' ' B' ' 43' ' ' VAL . 0.0 OUTLIER -148.06 174.39 11.97 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.759 -176.325 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 14.9 t -83.05 161.3 21.73 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 172.445 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' ARG . . . . . 0.462 ' HD2' HD22 ' B' ' 37' ' ' LEU . 18.6 mmt180 -68.41 -28.42 67.07 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.3 0.571 . . . . 0.0 110.304 -175.096 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.405 ' HD3' ' N ' ' B' ' 49' ' ' GLN . 0.4 OUTLIER -55.54 -32.08 62.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.812 176.846 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.407 ' HB2' ' HG3' ' B' ' 45' ' ' ARG . 41.6 mt-30 -64.3 -44.33 91.94 Favored 'General case' 0 CA--C 1.512 -0.517 0 N-CA-C 111.556 0.206 . . . . 0.0 111.556 -177.236 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.541 HD11 ' CZ ' ' B' ' 45' ' ' ARG . 4.3 mp -61.85 -49.04 85.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 120.968 0.413 . . . . 0.0 110.037 -177.219 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.482 HG23 ' CD2' ' B' ' 66' ' ' PHE . 71.6 mt -57.6 -47.29 85.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.119 178.615 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 52' ' ' HIS . . . . . 0.492 ' HB3' ' OE1' ' B' ' 56' ' ' GLN . 4.4 m-70 -74.1 -48.49 29.28 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 114.665 -1.152 . . . . 0.0 112.586 -172.291 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 53' ' ' HIS . . . . . 0.455 ' HB2' HD21 ' B' ' 17' ' ' LEU . 13.3 m-70 -54.89 -33.75 62.3 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 120.937 0.399 . . . . 0.0 111.195 -176.256 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 54' ' ' LEU . . . . . 0.546 HD22 HD11 ' B' ' 59' ' ' LEU . 74.3 mt -74.19 -47.34 36.3 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.827 -177.307 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 55' ' ' VAL . . . . . 0.435 HG11 ' C ' ' B' ' 62' ' ' SER . 34.7 m -72.45 -22.49 20.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.156 0.503 . . . . 0.0 110.306 178.314 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 56' ' ' GLN . . . . . 0.492 ' OE1' ' HB3' ' B' ' 52' ' ' HIS . 20.6 mt-30 -71.56 -24.52 61.94 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.221 175.535 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 73.4 mtm -91.34 2.77 56.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.95 0.405 . . . . 0.0 110.804 177.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 67.98 14.74 66.2 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 121.094 -0.574 . . . . 0.0 112.876 176.689 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.546 HD11 HD22 ' B' ' 54' ' ' LEU . 4.0 pp -97.17 -20.08 18.19 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.566 0.698 . . . . 0.0 109.871 178.378 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 60' ' ' ALA . . . . . 0.441 ' N ' HD12 ' B' ' 59' ' ' LEU . . . -112.58 150.49 31.29 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.248 171.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -68.09 -66.74 0.53 Allowed 'General case' 0 C--N 1.322 -0.621 0 O-C-N 123.334 0.396 . . . . 0.0 111.715 -174.069 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 62' ' ' SER . . . . . 0.435 ' C ' HG11 ' B' ' 55' ' ' VAL . 14.6 m -154.71 176.58 12.26 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.09 -0.504 . . . . 0.0 109.772 -174.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 47.0 t -63.83 -27.73 43.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.43 0.634 . . . . 0.0 109.6 174.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 64' ' ' LYS . . . . . 0.405 ' HB3' ' HG2' ' B' ' 68' ' ' ARG . 8.6 mtmp? -61.23 -25.19 66.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.204 178.29 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -66.02 -36.93 84.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.675 0.75 . . . . 0.0 109.983 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 66' ' ' PHE . . . . . 0.482 ' CD2' HG23 ' B' ' 51' ' ' ILE . 38.6 m-85 -91.07 -46.98 7.81 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.348 -179.185 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -150.3 95.74 2.31 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.737 -171.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 68' ' ' ARG . . . . . 0.405 ' HG2' ' HB3' ' B' ' 64' ' ' LYS . 74.0 mtm180 -70.0 82.08 0.49 Allowed 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.947 0.404 . . . . 0.0 111.209 173.162 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 25.9 pttm -132.78 -32.27 1.27 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.851 172.511 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -88.74 29.97 5.59 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.249 177.249 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -69.29 163.69 24.5 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 176.507 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -73.59 -39.24 64.76 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 169.386 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 73' ' ' ILE . . . . . 0.426 HG23 ' HD1' ' B' ' 76' ' ' TRP . 0.4 OUTLIER -14.58 125.66 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 O-C-N 125.507 1.754 . . . . 0.0 115.526 -164.509 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 74' ' ' VAL . . . . . 0.453 HG21 ' HG2' ' B' ' 109' ' ' ARG . 11.7 m -54.95 148.98 2.6 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.775 0 CA-C-N 113.276 -1.784 . . . . 0.0 109.827 179.373 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.449 ' O ' HD12 ' B' ' 75' ' ' LEU . 0.4 OUTLIER -49.85 91.74 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.94 0 O-C-N 123.92 0.763 . . . . 0.0 112.539 179.745 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 76' ' ' TRP . . . . . 0.565 ' CH2' HD22 ' B' ' 84' ' ' LEU . 64.8 m95 -92.22 109.9 21.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.015 0.436 . . . . 0.0 111.008 176.649 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 77' ' ' THR . . . . . 0.589 ' O ' ' HG3' ' B' ' 81' ' ' GLU . 72.6 p -107.11 164.64 11.98 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.984 177.072 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -53.52 -43.75 67.28 Favored Glycine 0 CA--C 1.519 0.313 0 C-N-CA 121.37 -0.443 . . . . 0.0 112.846 -177.648 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -64.65 -41.65 95.97 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.661 0.267 . . . . 0.0 110.536 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -69.31 -31.7 70.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.798 -178.036 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 81' ' ' GLU . . . . . 0.589 ' HG3' ' O ' ' B' ' 77' ' ' THR . 48.0 mt-10 -63.66 -36.76 84.9 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 174.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 20.4 tp -69.7 -42.38 74.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.304 175.268 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -56.98 -43.57 81.82 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.263 177.273 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 84' ' ' LEU . . . . . 0.565 HD22 ' CH2' ' B' ' 76' ' ' TRP . 58.2 tp -57.36 -53.06 62.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.945 175.343 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 85' ' ' GLN . . . . . 0.419 ' O ' ' HG3' ' B' ' 89' ' ' GLU . 1.4 tm0? -58.67 -48.68 80.25 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.385 -177.832 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 45.0 mtm180 -61.83 -52.28 64.81 Favored 'General case' 0 C--N 1.333 -0.139 0 C-N-CA 121.206 -0.198 . . . . 0.0 111.426 -177.462 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 8.8 mp -61.68 -41.32 97.4 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.737 0.303 . . . . 0.0 111.278 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.483 ' O ' ' HB2' ' B' ' 92' ' ' ARG . 27.5 t80 -52.08 -42.76 63.46 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.731 178.507 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.419 ' HG3' ' O ' ' B' ' 85' ' ' GLN . 37.2 mt-10 -80.37 -37.07 33.07 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.81 0.338 . . . . 0.0 110.777 179.203 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -65.97 -41.43 91.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.165 -175.646 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -99.29 14.52 29.28 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.016 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 92' ' ' ARG . . . . . 0.763 ' HA ' HG22 ' B' ' 97' ' ' VAL . 44.3 ttt180 -69.89 -27.36 64.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.956 0.408 . . . . 0.0 111.425 -177.281 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -86.78 13.31 9.04 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.096 0.474 . . . . 0.0 111.064 -177.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 78.8 p -104.63 -177.08 3.26 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 177.229 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -67.21 -41.47 85.73 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.809 0.338 . . . . 0.0 111.458 -176.425 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -140.24 117.01 10.94 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.672 -177.041 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 97' ' ' VAL . . . . . 0.763 HG22 ' HA ' ' B' ' 92' ' ' ARG . 46.0 t -70.43 -54.11 19.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.941 0.4 . . . . 0.0 111.141 -178.567 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 98' ' ' LEU . . . . . 0.428 ' HG ' HG21 ' B' ' 114' ' ' ILE . 7.8 mp -59.07 -39.77 83.12 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.288 -173.436 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -56.61 -39.31 85.3 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.918 -0.658 . . . . 0.0 111.552 178.386 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 65.0 m80 -80.92 -27.28 36.22 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.747 0.308 . . . . 0.0 110.331 -178.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 101' ' ' ILE . . . . . 0.442 ' O ' HG22 ' B' ' 105' ' ' ILE . 53.6 mt -60.48 -61.42 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.525 176.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 2.2 ptp -65.01 -27.44 68.82 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -175.558 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -72.46 -41.06 66.51 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 121.101 -0.24 . . . . 0.0 111.368 178.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -94.96 -13.91 24.9 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 -171.23 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 105' ' ' ILE . . . . . 0.534 HG12 HH21 ' B' ' 109' ' ' ARG . 10.6 tp -90.21 147.74 5.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 C-N-CA 119.933 -0.707 . . . . 0.0 110.958 -177.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 5.2 t -67.91 -21.86 65.11 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 114.64 -1.163 . . . . 0.0 112.147 -174.6 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 107' ' ' ALA . . . . . 0.499 ' O ' HG23 ' B' ' 105' ' ' ILE . . . -101.37 127.44 48.0 Favored 'General case' 0 CA--C 1.514 -0.413 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 177.118 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 108' ' ' LYS . . . . . 0.41 ' HA ' ' HE2' ' B' ' 108' ' ' LYS . 10.6 mmpt? -74.44 101.88 4.27 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 178.066 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 109' ' ' ARG . . . . . 0.534 HH21 HG12 ' B' ' 105' ' ' ILE . 41.8 mtm105 -116.38 121.31 41.53 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.591 -175.297 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 110' ' ' SER . . . . . 0.475 ' O ' HG13 ' B' ' 114' ' ' ILE . 23.8 t -70.63 156.09 39.9 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.549 -176.163 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 31.5 mmm-85 -55.22 -47.64 75.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 114.937 -1.029 . . . . 0.0 111.398 -173.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -61.33 -35.84 78.5 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.068 -174.432 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 113' ' ' ARG . . . . . 0.409 ' CZ ' ' HB3' ' B' ' 110' ' ' SER . 0.0 OUTLIER -82.58 -25.16 33.52 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.691 -177.684 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 114' ' ' ILE . . . . . 0.475 HG13 ' O ' ' B' ' 110' ' ' SER . 61.4 mt -71.41 -44.71 71.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 176.053 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 115' ' ' VAL . . . . . 0.413 HG22 ' CD1' ' B' ' 130' ' ' LEU . 33.2 t -55.8 -53.65 35.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.215 177.713 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -59.45 -38.8 81.69 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.469 -176.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 117' ' ' LYS . . . . . 0.514 ' HD3' HD13 ' B' ' 121' ' ' LEU . 5.8 tmtm? -72.78 -31.65 65.02 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.758 -176.04 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 118' ' ' LEU . . . . . 0.469 HD12 HD22 ' B' ' 130' ' ' LEU . 13.3 mt -61.59 -52.23 65.27 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 121.227 0.537 . . . . 0.0 110.358 173.24 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 119' ' ' LEU . . . . . 0.402 HD23 ' O ' ' B' ' 115' ' ' VAL . 4.6 mm? -57.49 -34.91 69.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.833 -1.076 . . . . 0.0 110.585 -179.123 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -70.0 -41.71 73.99 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.223 -0.899 . . . . 0.0 111.171 -178.312 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 121' ' ' LEU . . . . . 0.514 HD13 ' HD3' ' B' ' 117' ' ' LYS . 7.8 mp -69.68 -25.22 63.78 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.956 175.094 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 79.71 30.44 43.98 Favored Glycine 0 N--CA 1.44 -1.092 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 -171.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 123' ' ' LEU . . . . . 0.462 HD12 HD22 ' B' ' 118' ' ' LEU . 33.6 mt -74.37 -24.97 59.23 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-O 121.613 0.72 . . . . 0.0 109.099 178.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 124' ' ' VAL . . . . . 0.449 HG21 HD21 ' B' ' 130' ' ' LEU . 18.6 m -141.0 172.58 10.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 114.52 -1.218 . . . . 0.0 109.942 177.02 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -116.95 -6.86 11.43 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.259 178.205 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -161.97 162.87 29.16 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.319 -0.855 . . . . 0.0 109.358 -175.039 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 127' ' ' ARG . . . . . 0.792 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 82.4 mtt180 -77.92 -19.96 53.71 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.269 0.557 . . . . 0.0 110.803 -179.416 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 128' ' ' ARG . . . . . 0.671 ' NH1' ' H ' ' B' ' 141' ' ' SER . 32.6 ttp180 -58.47 -35.74 72.64 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.069 176.326 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -75.01 -7.09 52.68 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.933 -0.576 . . . . 0.0 112.469 -174.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 130' ' ' LEU . . . . . 0.792 ' HG ' ' O ' ' B' ' 127' ' ' ARG . 0.2 OUTLIER -87.38 2.77 49.4 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.733 0.777 . . . . 0.0 109.134 179.38 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 131' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -134.49 129.32 35.0 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.597 -1.183 . . . . 0.0 108.04 179.533 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -64.61 102.81 0.6 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.301 0.572 . . . . 0.0 110.827 -177.682 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 53.8 tttp -128.64 161.82 28.77 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.148 -178.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 134' ' ' ARG . . . . . 0.55 ' HD3' ' N ' ' B' ' 134' ' ' ARG . 0.0 OUTLIER -126.33 79.57 1.86 Allowed 'General case' 0 CA--C 1.514 -0.415 0 CA-C-O 121.342 0.591 . . . . 0.0 109.545 -176.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 135' ' ' GLN . . . . . 0.471 ' CD ' ' HD2' ' B' ' 128' ' ' ARG . 5.4 pm0 -111.84 151.07 29.51 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.686 177.331 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -103.85 -153.08 0.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 177.006 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 137' ' ' LYS . . . . . 0.678 ' HE3' ' O ' ' B' ' 137' ' ' LYS . 0.1 OUTLIER -65.89 84.74 0.08 Allowed 'General case' 0 C--O 1.218 -0.595 0 CA-C-O 121.924 0.868 . . . . 0.0 111.376 179.73 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 138' ' ' LEU . . . . . 0.432 HD12 ' O ' ' B' ' 139' ' ' ALA . 3.1 pp -141.92 170.71 15.21 Favored 'General case' 0 C--N 1.311 -1.086 0 O-C-N 121.416 -0.803 . . . . 0.0 110.536 176.145 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 139' ' ' ALA . . . . . 0.432 ' O ' HD12 ' B' ' 138' ' ' LEU . . . -62.49 174.97 0.85 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 123.33 0.394 . . . . 0.0 111.326 -177.208 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 18.9 t -64.4 98.21 0.23 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.882 0.372 . . . . 0.0 110.135 -178.678 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 141' ' ' SER . . . . . 0.671 ' H ' ' NH1' ' B' ' 128' ' ' ARG . 9.1 t . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.092 -0.956 . . . . 0.0 109.181 -177.005 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 . . . . . 0 N--CA 1.482 1.158 0 N-CA-C 110.722 -0.103 . . . . 0.0 110.722 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' PRO . . . . . 0.539 ' HB3' HG23 ' B' ' 46' ' ' THR . 5.4 Cg_endo -48.86 -68.35 0.09 OUTLIER 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 123.752 2.968 . . . . 0.0 113.049 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 14.6 m -126.48 -49.68 1.52 Allowed 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 175.52 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 49.3 mtp180 -131.22 176.84 7.93 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.043 -0.981 . . . . 0.0 108.391 172.722 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -52.01 118.37 3.41 Favored 'General case' 0 C--N 1.33 -0.25 0 O-C-N 123.609 0.568 . . . . 0.0 109.668 177.211 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.33 132.93 87.54 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-O 121.231 0.539 . . . . 0.0 112.153 -174.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -92.87 -177.8 0.77 Allowed 'Trans proline' 0 N--CA 1.452 -0.933 0 C-N-CA 123.141 2.561 . . . . 0.0 112.652 178.003 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 3.0 p -92.63 158.16 16.11 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.874 0.368 . . . . 0.0 111.557 177.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 77.6 m95 -89.29 112.9 24.08 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.681 178.215 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 15.3 t -71.11 148.22 94.04 Favored Pre-proline 0 C--N 1.321 -0.642 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 173.707 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_exo -43.94 -49.0 8.72 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 123.156 2.57 . . . . 0.0 113.375 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -57.92 -38.19 75.44 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.881 0.372 . . . . 0.0 110.875 178.121 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.417 ' CD ' HG21 ' B' ' 42' ' ' THR . 3.8 tp10 -72.05 -35.01 69.19 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.289 -177.381 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -64.28 -44.34 92.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.161 0.505 . . . . 0.0 109.744 174.643 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' ALA . . . . . 0.523 ' O ' ' HB2' ' B' ' 19' ' ' GLU . . . -67.06 -29.54 69.35 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.582 177.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.48 ' CE1' ' HB3' ' B' ' 40' ' ' LEU . 19.8 t-160 -74.35 -31.94 62.61 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.583 176.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.521 HD11 HG23 ' B' ' 50' ' ' ILE . 24.4 tp -66.86 -41.77 86.79 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 179.187 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 18' ' ' ARG . . . . . 0.831 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 15.3 ptm180 -77.4 -32.37 54.75 Favored 'General case' 0 N--CA 1.443 -0.794 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 176.135 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 19' ' ' GLU . . . . . 0.523 ' HB2' ' O ' ' B' ' 15' ' ' ALA . 6.8 tp10 -51.57 -56.89 10.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.615 0.722 . . . . 0.0 110.509 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.98 -31.44 71.15 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.823 -178.529 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 21' ' ' TYR . . . . . 0.463 ' O ' ' HB3' ' B' ' 25' ' ' LYS . 92.2 t80 -68.27 -46.86 69.26 Favored 'General case' 0 CA--C 1.513 -0.45 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 -179.538 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.831 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 62.1 mt -59.25 -24.64 63.36 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.715 -179.405 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.92 -31.25 35.16 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 -178.7 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 -127.81 17.85 6.78 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -174.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.529 ' HD3' ' HA ' ' B' ' 22' ' ' LEU . 18.6 pttm -72.22 -35.02 68.77 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -172.285 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -103.49 14.6 30.95 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.86 0.362 . . . . 0.0 111.457 -174.668 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 45.7 t -87.81 106.43 16.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 173.478 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -93.16 148.09 22.32 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.162 -175.597 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 92.84 -8.96 76.19 Favored Glycine 0 N--CA 1.45 -0.424 0 N-CA-C 110.741 -0.944 . . . . 0.0 110.741 -174.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -115.45 149.2 38.43 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.012 -0.594 . . . . 0.0 110.477 178.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -69.45 106.47 2.97 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.032 171.675 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.667 ' O ' HG12 ' B' ' 36' ' ' ILE . 7.6 p -68.0 -42.92 85.79 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 C-N-CA 119.975 -0.69 . . . . 0.0 109.749 178.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 33' ' ' VAL . . . . . 0.735 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 11.7 p -67.21 -40.61 85.42 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.492 0 C-N-CA 120.989 -0.284 . . . . 0.0 110.536 -174.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -69.9 -32.44 70.75 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 -178.632 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.47 -41.82 90.61 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.141 0.496 . . . . 0.0 109.954 173.339 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.667 HG12 ' O ' ' B' ' 32' ' ' VAL . 6.8 mm -72.06 -64.79 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.403 -177.678 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.735 ' HG ' ' O ' ' B' ' 33' ' ' VAL . 2.9 pp -63.57 -25.58 68.3 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 -170.083 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 38' ' ' ALA . . . . . 0.522 ' N ' HD12 ' B' ' 37' ' ' LEU . . . -82.74 -38.75 22.84 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -178.498 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 52.4 m80 -75.35 -29.48 59.93 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.191 -0.603 . . . . 0.0 110.849 -176.627 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.577 ' HG ' ' O ' ' B' ' 36' ' ' ILE . 0.8 OUTLIER -98.65 80.24 2.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.932 0.873 . . . . 0.0 110.492 172.487 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -82.2 38.52 0.54 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.753 0.787 . . . . 0.0 109.956 179.175 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' THR . . . . . 0.433 HG22 ' HB2' ' B' ' 40' ' ' LEU . 4.5 t -94.32 -21.44 18.99 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 114.595 -1.184 . . . . 0.0 109.702 -179.09 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 4.8 m -128.04 113.33 20.22 Favored Pre-proline 0 N--CA 1.451 -0.378 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.271 -179.312 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -77.92 89.5 1.33 Allowed 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 122.138 1.892 . . . . 0.0 111.026 175.245 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 79.4 mtt-85 -133.02 176.97 8.02 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.473 -173.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' THR . . . . . 0.584 ' OG1' ' HG2' ' B' ' 49' ' ' GLN . 43.2 p -78.7 169.01 18.9 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.013 177.524 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 47' ' ' ARG . . . . . 0.433 ' O ' HG13 ' B' ' 51' ' ' ILE . 6.0 mmt180 -72.72 -23.99 60.92 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 179.177 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -68.63 -38.39 80.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 114.98 -1.009 . . . . 0.0 111.485 -178.323 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.584 ' HG2' ' OG1' ' B' ' 46' ' ' THR . 13.9 mm100 -62.54 -46.42 88.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.863 -173.773 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.521 HG23 HD11 ' B' ' 17' ' ' LEU . 2.4 mp -63.32 -48.53 86.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 121.101 -0.24 . . . . 0.0 110.648 179.678 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.433 HG13 ' O ' ' B' ' 47' ' ' ARG . 70.1 mt -51.85 -46.96 40.95 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-O 121.599 0.714 . . . . 0.0 110.433 178.389 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -65.44 -49.38 69.37 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.899 -1.046 . . . . 0.0 113.038 -172.379 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 53' ' ' HIS . . . . . 0.428 ' O ' ' HB2' ' B' ' 57' ' ' MET . 70.6 m-70 -61.65 -27.93 69.02 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 118.414 0.552 . . . . 0.0 111.625 -177.361 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 54' ' ' LEU . . . . . 0.475 HD22 HD11 ' B' ' 59' ' ' LEU . 65.1 mt -81.87 -45.44 15.49 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.271 -174.465 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 55' ' ' VAL . . . . . 0.516 ' HA ' ' HB3' ' B' ' 60' ' ' ALA . 9.8 m -72.14 -25.64 23.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.189 0.519 . . . . 0.0 110.287 178.495 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -80.69 -18.48 47.79 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.122 177.289 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.428 ' HB2' ' O ' ' B' ' 53' ' ' HIS . 31.3 ttm -82.97 -8.1 59.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.058 0.456 . . . . 0.0 110.25 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 85.79 -1.6 87.99 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.616 177.465 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.475 HD11 HD22 ' B' ' 54' ' ' LEU . 3.9 pp -86.04 -22.97 26.95 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.147 0.499 . . . . 0.0 110.599 -179.509 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 60' ' ' ALA . . . . . 0.516 ' HB3' ' HA ' ' B' ' 55' ' ' VAL . . . -112.69 163.14 14.91 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.097 175.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -71.89 -66.39 0.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.153 0.501 . . . . 0.0 110.655 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 62' ' ' SER . . . . . 0.456 ' OG ' ' HE3' ' B' ' 64' ' ' LYS . 73.5 p -164.29 177.91 7.93 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.793 -175.684 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 2.5 t -57.02 -36.8 52.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.841 -178.045 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 64' ' ' LYS . . . . . 0.46 ' HA ' ' HA ' ' B' ' 68' ' ' ARG . 0.0 OUTLIER -64.83 -17.58 64.37 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.168 -174.774 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -73.86 -32.36 63.6 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.112 0.482 . . . . 0.0 110.172 179.344 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 66' ' ' PHE . . . . . 0.425 ' HD2' ' HB ' ' B' ' 33' ' ' VAL . 1.1 m-85 -90.52 -48.93 6.79 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-O 121.761 0.791 . . . . 0.0 109.092 176.714 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 67' ' ' GLN . . . . . 0.423 ' O ' ' HA ' ' B' ' 64' ' ' LYS . 23.6 mt-30 -144.16 113.1 6.76 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 114.247 -1.342 . . . . 0.0 108.946 -178.063 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 68' ' ' ARG . . . . . 0.46 ' HA ' ' HA ' ' B' ' 64' ' ' LYS . 29.1 ttm180 -65.22 82.97 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.414 0.626 . . . . 0.0 110.185 178.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 8.5 tmtt? -76.73 98.75 4.87 Favored 'General case' 0 N--CA 1.438 -1.045 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 175.063 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -32.57 114.32 0.08 OUTLIER Glycine 0 C--N 1.332 0.356 0 O-C-N 125.047 1.467 . . . . 0.0 112.667 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 71' ' ' THR . . . . . 0.427 ' C ' ' H ' ' B' ' 73' ' ' ILE . 0.4 OUTLIER -59.54 131.23 50.32 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 113.496 0.924 . . . . 0.0 113.496 -168.134 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 44.6 p-80 -74.87 30.64 0.09 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.353 -1.294 . . . . 0.0 110.712 176.266 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 73' ' ' ILE . . . . . 0.427 ' H ' ' C ' ' B' ' 71' ' ' THR . 3.5 mm -66.23 112.35 2.05 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.725 0 CA-C-O 122.188 0.994 . . . . 0.0 111.947 -173.345 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 74' ' ' VAL . . . . . 0.413 HG21 ' HD2' ' B' ' 109' ' ' ARG . 0.1 OUTLIER -54.12 122.62 3.98 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.066 0 CA-C-N 113.509 -1.678 . . . . 0.0 107.476 159.317 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 3.8 pp -48.62 137.51 11.84 Favored 'General case' 0 N--CA 1.463 0.219 0 O-C-N 123.775 0.672 . . . . 0.0 111.84 -166.282 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 76' ' ' TRP . . . . . 0.499 ' CZ2' ' HG2' ' B' ' 117' ' ' LYS . 56.1 m95 -125.41 142.98 51.2 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.3 -0.863 . . . . 0.0 111.022 -178.104 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 77' ' ' THR . . . . . 0.532 ' O ' ' HG3' ' B' ' 81' ' ' GLU . 79.6 p -125.7 161.67 26.77 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 172.485 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -59.12 -33.86 76.78 Favored Glycine 0 C--O 1.235 0.2 0 C-N-CA 120.516 -0.85 . . . . 0.0 111.767 177.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -72.77 -29.79 63.59 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 120.864 0.364 . . . . 0.0 110.374 177.574 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -75.88 -34.92 60.02 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 178.347 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 81' ' ' GLU . . . . . 0.638 ' O ' ' HB2' ' B' ' 85' ' ' GLN . 46.1 mt-10 -60.33 -37.17 79.77 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.782 179.612 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.502 ' O ' ' HG3' ' B' ' 86' ' ' ARG . 4.6 pp -83.8 -24.02 31.19 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.744 176.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -65.16 -57.21 9.13 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 179.467 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 84' ' ' LEU . . . . . 0.617 HD21 HG23 ' B' ' 114' ' ' ILE . 21.7 tp -69.36 -25.48 64.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.107 179.372 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 85' ' ' GLN . . . . . 0.638 ' HB2' ' O ' ' B' ' 81' ' ' GLU . 0.7 OUTLIER -60.04 -54.2 48.77 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.978 176.467 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 86' ' ' ARG . . . . . 0.502 ' HG3' ' O ' ' B' ' 82' ' ' LEU . 47.0 mtp180 -74.16 -39.33 63.33 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.846 -178.685 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 10.2 tp -53.94 -43.18 69.59 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.381 0.61 . . . . 0.0 109.653 176.413 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.66 ' O ' ' HG3' ' B' ' 92' ' ' ARG . 8.0 t80 -55.8 -58.41 7.96 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.037 -0.983 . . . . 0.0 111.615 175.07 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -58.28 -47.65 82.95 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.976 0.417 . . . . 0.0 111.116 -177.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -53.64 -37.83 63.5 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.152 -0.931 . . . . 0.0 112.334 -176.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 91' ' ' PHE . . . . . 0.465 ' HB2' HG23 ' B' ' 97' ' ' VAL . 68.1 m-85 -105.35 11.86 32.31 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.859 0.688 . . . . 0.0 112.859 -174.563 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 92' ' ' ARG . . . . . 0.66 ' HG3' ' O ' ' B' ' 88' ' ' PHE . 78.4 mtp180 -72.04 -12.07 61.05 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 122.041 0.924 . . . . 0.0 109.008 170.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -69.09 -16.03 63.58 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.109 -1.405 . . . . 0.0 110.105 175.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 13.2 t -105.03 167.96 9.37 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.892 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 95' ' ' ASP . . . . . 0.523 ' HA ' ' O ' ' B' ' 132' ' ' LYS . 2.7 m-20 -67.09 -48.24 68.8 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.316 0.579 . . . . 0.0 111.002 -177.597 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 52.9 t0 -114.07 99.52 7.7 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 178.246 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 97' ' ' VAL . . . . . 0.472 ' O ' HG13 ' B' ' 101' ' ' ILE . 9.9 p -67.08 -39.38 83.13 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.59 -178.629 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 98' ' ' LEU . . . . . 0.582 ' HB2' ' NH1' ' B' ' 111' ' ' ARG . 4.7 mp -70.64 -29.93 66.42 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-O 120.706 0.289 . . . . 0.0 110.609 -175.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -60.53 -46.09 95.05 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.793 -0.718 . . . . 0.0 111.445 174.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 38.1 m-70 -72.85 -35.47 67.25 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 110.124 -0.325 . . . . 0.0 110.124 177.275 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 101' ' ' ILE . . . . . 0.518 HD12 ' HA ' ' B' ' 98' ' ' LEU . 32.2 mt -50.73 -59.46 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 O-C-N 123.429 0.456 . . . . 0.0 110.816 176.122 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 60.3 mtt -58.24 -40.25 81.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.953 -176.488 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -78.13 -26.19 47.77 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.347 -174.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -109.83 4.38 21.63 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 -173.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 105' ' ' ILE . . . . . 0.453 HG12 ' H ' ' B' ' 107' ' ' ALA . 15.9 tt -109.36 157.89 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.384 0.612 . . . . 0.0 111.074 177.684 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 6.8 t -77.09 -20.46 55.7 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.743 -1.117 . . . . 0.0 111.245 -178.11 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 107' ' ' ALA . . . . . 0.453 ' H ' HG12 ' B' ' 105' ' ' ILE . . . -98.77 128.16 44.92 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.902 0.382 . . . . 0.0 110.996 -175.711 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 108' ' ' LYS . . . . . 0.444 ' HA ' ' HE2' ' B' ' 108' ' ' LYS . 8.4 mmpt? -96.77 103.05 14.94 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 179.108 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 109' ' ' ARG . . . . . 0.413 ' HD2' HG21 ' B' ' 74' ' ' VAL . 9.9 ptm180 -137.95 -177.79 4.97 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.984 -175.152 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 22.7 p -97.05 164.26 12.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.893 -174.656 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 111' ' ' ARG . . . . . 0.582 ' NH1' ' HB2' ' B' ' 98' ' ' LEU . 11.7 mmt180 -63.85 -45.06 91.2 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.664 178.024 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 112' ' ' ALA . . . . . 0.467 ' O ' ' HB2' ' B' ' 116' ' ' ASP . . . -58.74 -29.84 67.04 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.888 -175.383 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 113' ' ' ARG . . . . . 0.481 ' NH2' ' HB3' ' B' ' 116' ' ' ASP . 0.0 OUTLIER -83.73 -30.73 26.48 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 -179.207 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 114' ' ' ILE . . . . . 0.617 HG23 HD21 ' B' ' 84' ' ' LEU . 93.6 mt -76.37 -47.22 30.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 C-N-CA 121.024 -0.27 . . . . 0.0 110.643 179.209 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 115' ' ' VAL . . . . . 0.578 ' O ' HD23 ' B' ' 119' ' ' LEU . 19.7 m -61.78 -36.16 72.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.057 0.456 . . . . 0.0 110.501 179.609 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 116' ' ' ASP . . . . . 0.481 ' HB3' ' NH2' ' B' ' 113' ' ' ARG . 28.4 t0 -71.03 -34.36 71.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.497 -178.183 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 117' ' ' LYS . . . . . 0.532 ' HE3' HD11 ' B' ' 121' ' ' LEU . 53.8 tptt -70.78 -38.38 73.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.303 -179.276 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 118' ' ' LEU . . . . . 0.509 HD22 HD12 ' B' ' 123' ' ' LEU . 22.1 mt -59.64 -47.39 85.78 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-O 120.78 0.324 . . . . 0.0 111.006 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 119' ' ' LEU . . . . . 0.578 HD23 ' O ' ' B' ' 115' ' ' VAL . 4.6 mm? -65.98 -28.42 68.88 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.894 -177.826 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -75.44 -34.67 61.0 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.432 -178.689 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 121' ' ' LEU . . . . . 0.532 HD11 ' HE3' ' B' ' 117' ' ' LYS . 9.2 mp -78.79 -25.24 44.28 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.642 172.262 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 76.24 35.23 43.72 Favored Glycine 0 N--CA 1.442 -0.938 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 -171.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 123' ' ' LEU . . . . . 0.509 HD12 HD22 ' B' ' 118' ' ' LEU . 42.3 mt -74.37 -21.98 59.41 Favored 'General case' 0 CA--C 1.513 -0.452 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 176.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 124' ' ' VAL . . . . . 0.703 HG21 HD21 ' B' ' 130' ' ' LEU . 15.5 m -146.06 178.54 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 113.952 -1.476 . . . . 0.0 108.714 174.674 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -116.81 -7.61 11.44 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.004 0.43 . . . . 0.0 110.752 179.268 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 126' ' ' GLU . . . . . 0.447 ' OE1' ' HD2' ' B' ' 128' ' ' ARG . 11.1 pt-20 -161.87 162.41 29.27 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.097 -176.288 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 127' ' ' ARG . . . . . 0.621 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 0.8 OUTLIER -78.73 -21.52 47.9 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.449 179.237 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 128' ' ' ARG . . . . . 0.447 ' HD2' ' OE1' ' B' ' 126' ' ' GLU . 36.1 mtt180 -60.71 -29.52 69.4 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.273 0.559 . . . . 0.0 110.726 -176.366 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -83.45 -7.41 59.56 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.417 -0.811 . . . . 0.0 111.773 -174.57 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 130' ' ' LEU . . . . . 0.703 HD21 HG21 ' B' ' 124' ' ' VAL . 0.2 OUTLIER -91.3 -11.77 37.05 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.009 0.433 . . . . 0.0 109.881 -179.51 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 131' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -123.29 76.1 1.36 Allowed 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 179.017 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 132' ' ' LYS . . . . . 0.523 ' O ' ' HA ' ' B' ' 95' ' ' ASP . 28.8 mmtm -129.76 -166.86 1.72 Allowed 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 121.105 0.479 . . . . 0.0 111.484 -172.142 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 133' ' ' LYS . . . . . 0.428 ' HG2' ' OD1' ' B' ' 95' ' ' ASP . 36.2 mtmm -117.39 175.4 5.64 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 165.303 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 134' ' ' ARG . . . . . . . . . . . . . 24.5 tpt180 -61.37 82.36 0.01 OUTLIER 'General case' 0 N--CA 1.443 -0.825 0 CA-C-O 121.238 0.542 . . . . 0.0 109.725 170.13 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -64.44 170.09 4.21 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.846 179.123 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 24.6 pttm -59.51 170.99 0.9 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.104 170.204 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 137' ' ' LYS . . . . . 0.605 ' HD3' ' H ' ' B' ' 137' ' ' LYS . 0.0 OUTLIER -73.12 86.5 1.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 122.342 1.068 . . . . 0.0 111.276 -178.122 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -137.15 168.42 19.64 Favored 'General case' 0 C--N 1.319 -0.744 0 O-C-N 121.717 -0.614 . . . . 0.0 109.352 177.663 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . -97.22 134.54 40.4 Favored 'General case' 0 C--N 1.314 -0.966 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 177.363 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.3 106.87 0.58 Allowed 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 172.866 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 141' ' ' SER . . . . . . . . . . . . . 5.1 t . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.338 -0.839 . . . . 0.0 110.897 -162.191 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 . . . . . 0 N--CA 1.48 1.028 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -90.42 14.42 2.05 Favored 'Trans proline' 0 N--CA 1.459 -0.517 0 C-N-CA 122.658 2.239 . . . . 0.0 113.32 -178.225 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 11.5 m -89.76 -7.05 55.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.944 0.402 . . . . 0.0 110.277 -179.528 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 23.5 mmt180 -87.65 97.97 11.17 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-O 121.163 0.506 . . . . 0.0 110.288 -175.372 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' ARG . . . . . 0.678 ' O ' ' HD3' ' B' ' 7' ' ' PRO . 27.3 tpt180 -99.29 111.68 24.0 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.485 -0.931 . . . . 0.0 108.485 173.543 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -93.52 105.93 18.42 Favored Pre-proline 0 C--N 1.319 -0.754 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.36 -177.442 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' PRO . . . . . 0.678 ' HD3' ' O ' ' B' ' 5' ' ' ARG . 4.7 Cg_endo -101.97 -177.82 0.13 Allowed 'Trans proline' 0 N--CA 1.44 -1.638 0 C-N-CA 123.001 2.467 . . . . 0.0 112.268 174.643 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 5.2 p -81.76 157.63 24.45 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.218 179.035 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' TRP . . . . . 0.482 ' CZ3' ' HG2' ' B' ' 13' ' ' GLU . 73.1 m95 -90.69 131.41 36.4 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.661 -177.092 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 74.8 p -90.35 157.44 44.86 Favored Pre-proline 0 C--N 1.318 -0.775 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 174.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_exo -56.65 -20.9 36.52 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.364 2.043 . . . . 0.0 111.771 176.634 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -83.17 -46.87 12.21 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.276 -179.565 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.482 ' HG2' ' CZ3' ' B' ' 9' ' ' TRP . 21.7 tt0 -65.18 -40.13 93.83 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.372 -178.853 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 14' ' ' GLU . . . . . 0.506 ' O ' ' HB2' ' B' ' 17' ' ' LEU . 46.5 mt-10 -67.29 -37.8 83.98 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.031 179.034 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.19 -36.15 83.12 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-O 121.039 0.447 . . . . 0.0 110.495 179.191 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.471 ' HA ' ' HB3' ' B' ' 19' ' ' GLU . 5.5 t-160 -63.22 -29.39 70.74 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.666 177.287 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.506 ' HB2' ' O ' ' B' ' 14' ' ' GLU . 72.8 mt -58.61 -61.09 2.86 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-O 120.9 0.381 . . . . 0.0 110.04 174.304 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 18' ' ' ARG . . . . . 0.707 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 13.8 ptm180 -65.84 -31.18 71.99 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.03 178.41 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 19' ' ' GLU . . . . . 0.471 ' HB3' ' HA ' ' B' ' 16' ' ' HIS . 12.6 tp10 -51.55 -57.49 8.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.835 0.826 . . . . 0.0 110.119 177.535 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.53 HD11 ' HB2' ' B' ' 39' ' ' HIS . 0.7 OUTLIER -72.61 -28.06 62.55 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.799 -1.091 . . . . 0.0 111.653 -177.889 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 44.7 t80 -73.37 -52.31 14.25 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.262 -177.156 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.707 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 55.6 mt -59.56 -26.9 65.76 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.555 -178.759 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.35 -56.8 4.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.726 176.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 -85.93 -8.83 57.74 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 -171.668 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 14.8 ptmm? -70.7 -13.65 62.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.123 0.487 . . . . 0.0 110.222 179.029 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -75.54 -15.69 60.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.303 0.573 . . . . 0.0 110.06 178.676 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 34.6 t -91.0 111.1 23.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.129 -179.206 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -84.48 128.25 34.48 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.881 -176.276 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.0 3.14 65.91 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.505 177.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -103.63 146.65 28.25 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.733 0.302 . . . . 0.0 110.98 179.04 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -64.67 94.49 0.12 Allowed 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.47 170.365 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.418 ' O ' HG13 ' B' ' 36' ' ' ILE . 6.4 p -69.08 -31.17 49.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 176.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 33' ' ' VAL . . . . . 0.607 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 1.0 OUTLIER -55.45 -51.25 59.14 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.302 0 CA-C-N 114.74 -1.118 . . . . 0.0 110.116 178.814 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.443 ' N ' HG22 ' B' ' 33' ' ' VAL . 34.2 tt0 -71.54 -42.38 67.97 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.14 -174.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.55 -45.18 37.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.262 0.553 . . . . 0.0 111.006 178.174 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.475 HG22 HD11 ' B' ' 40' ' ' LEU . 58.1 mt -71.37 -63.58 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.18 -177.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.607 ' HG ' ' O ' ' B' ' 33' ' ' VAL . 3.7 pp -61.69 -19.79 62.75 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 -173.849 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -80.16 -41.22 25.76 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.49 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' HIS . . . . . 0.53 ' HB2' HD11 ' B' ' 20' ' ' LEU . 53.3 m80 -79.25 -21.51 46.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.112 0.482 . . . . 0.0 109.709 -178.566 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.475 HD11 HG22 ' B' ' 36' ' ' ILE . 58.5 mt -76.82 81.1 3.41 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.665 176.365 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 67.0 t30 -106.94 38.32 2.13 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.809 0.814 . . . . 0.0 109.249 177.552 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 9.1 t -103.97 -20.67 13.8 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.144 176.535 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' VAL . . . . . 0.475 HG21 ' NE ' ' B' ' 45' ' ' ARG . 7.4 p -141.32 128.67 11.83 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.99 -173.352 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 44' ' ' PRO . . . . . 0.466 ' HG2' ' O ' ' B' ' 5' ' ' ARG . 49.7 Cg_endo -72.38 88.54 0.86 Allowed 'Trans proline' 0 N--CA 1.462 -0.363 0 C-N-CA 122.186 1.924 . . . . 0.0 111.784 175.121 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.577 ' NH1' ' HD2' ' B' ' 7' ' ' PRO . 35.8 mmt180 -109.28 171.02 7.68 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.186 179.707 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 26.8 p -98.29 165.77 11.71 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 165.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' ARG . . . . . 0.522 ' HG3' HD22 ' B' ' 37' ' ' LEU . 0.1 OUTLIER -62.69 -35.51 79.94 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.009 0.433 . . . . 0.0 109.94 -178.539 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -52.64 -39.23 61.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.719 179.527 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -65.78 -49.55 67.94 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.744 -172.422 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 2.3 mp -60.42 -51.22 75.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 C-N-CA 121.146 -0.222 . . . . 0.0 111.214 -176.431 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.508 HG13 ' CD1' ' B' ' 66' ' ' PHE . 2.4 mp -55.73 -46.94 79.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-O 121.209 0.528 . . . . 0.0 110.579 178.714 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -63.73 -50.38 69.33 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.474 -0.785 . . . . 0.0 112.28 -175.343 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' HIS . . . . . 0.479 ' O ' ' HB2' ' B' ' 57' ' ' MET . 51.7 m-70 -61.88 -23.7 66.46 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -176.754 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 54' ' ' LEU . . . . . 0.414 HD22 HD11 ' B' ' 59' ' ' LEU . 30.1 mt -82.79 -50.33 8.78 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.975 -176.576 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 55' ' ' VAL . . . . . 0.533 ' HA ' ' HB3' ' B' ' 60' ' ' ALA . 6.9 m -70.93 -24.61 24.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.249 0.547 . . . . 0.0 110.168 -179.384 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -83.03 -17.18 44.24 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.987 176.227 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.479 ' HB2' ' O ' ' B' ' 53' ' ' HIS . 34.0 ttm -80.24 -8.99 59.71 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.137 0.494 . . . . 0.0 110.1 176.664 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 86.49 -2.59 87.41 Favored Glycine 0 N--CA 1.452 -0.247 0 CA-C-N 115.895 -0.593 . . . . 0.0 112.889 175.675 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.512 HD12 ' N ' ' B' ' 60' ' ' ALA . 3.2 pp -84.67 -24.41 29.02 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.633 0.254 . . . . 0.0 110.756 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 60' ' ' ALA . . . . . 0.533 ' HB3' ' HA ' ' B' ' 55' ' ' VAL . . . -108.69 157.22 18.74 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.743 176.567 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -62.32 -66.1 0.59 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.247 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 20.3 p -164.53 177.23 8.28 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.974 -176.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 2.1 t -53.03 -33.37 19.55 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.505 178.284 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 64' ' ' LYS . . . . . 0.544 ' HA ' ' O ' ' B' ' 67' ' ' GLN . 19.4 mtmm -71.18 -13.22 61.86 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.232 -0.894 . . . . 0.0 111.836 -172.435 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -77.3 -19.4 56.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.896 0.855 . . . . 0.0 109.455 178.388 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 66' ' ' PHE . . . . . 0.508 ' CD1' HG13 ' B' ' 51' ' ' ILE . 19.5 m-85 -108.91 -47.63 3.42 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.769 -1.105 . . . . 0.0 109.755 178.762 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 67' ' ' GLN . . . . . 0.544 ' O ' ' HA ' ' B' ' 64' ' ' LYS . 78.9 mt-30 -137.32 111.35 8.33 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.731 -1.122 . . . . 0.0 108.53 178.485 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 68' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' B' ' 68' ' ' ARG . 37.1 ttm180 -69.34 82.79 0.38 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.556 0.693 . . . . 0.0 110.266 -178.834 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -76.09 100.14 4.86 Favored 'General case' 0 N--CA 1.439 -0.987 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 170.416 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -38.84 115.03 0.42 Allowed Glycine 0 CA--C 1.508 -0.388 0 O-C-N 124.563 1.165 . . . . 0.0 112.114 178.52 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 4.9 p -60.68 146.48 45.51 Favored 'General case' 0 CA--C 1.504 -0.795 0 N-CA-C 113.737 1.014 . . . . 0.0 113.737 -170.236 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 72' ' ' HIS . . . . . 0.551 ' O ' ' HD2' ' B' ' 113' ' ' ARG . 26.0 p-80 -55.36 113.79 1.55 Allowed 'General case' 0 N--CA 1.44 -0.939 0 N-CA-C 107.172 -1.418 . . . . 0.0 107.172 162.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -123.28 113.22 36.77 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.731 0 CA-C-O 121.505 0.669 . . . . 0.0 109.442 177.782 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 5.8 m -62.74 130.59 27.48 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.236 0 N-CA-C 107.365 -1.346 . . . . 0.0 107.365 175.083 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -48.14 89.42 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 113.272 0.841 . . . . 0.0 113.272 -166.497 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 76' ' ' TRP . . . . . 0.57 ' HA ' HE21 ' B' ' 80' ' ' GLN . 81.9 m95 -84.1 108.11 16.84 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 121.537 0.684 . . . . 0.0 110.498 -178.076 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 42.6 p -115.84 177.63 4.61 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 114.908 -1.042 . . . . 0.0 108.754 176.643 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.43 -32.31 64.15 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.217 -0.992 . . . . 0.0 110.982 172.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 79' ' ' ASP . . . . . 0.515 ' O ' ' HG3' ' B' ' 83' ' ' GLU . 1.4 m-20 -62.08 -61.67 2.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.233 -0.483 . . . . 0.0 110.517 176.189 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 80' ' ' GLN . . . . . 0.57 HE21 ' HA ' ' B' ' 76' ' ' TRP . 7.8 tt0 -64.63 -28.16 69.43 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.686 -176.272 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -59.75 -48.4 81.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.589 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.411 HD12 ' N ' ' B' ' 83' ' ' GLU . 4.6 pp -77.16 -26.36 52.94 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.837 179.736 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 83' ' ' GLU . . . . . 0.515 ' HG3' ' O ' ' B' ' 79' ' ' ASP . 55.5 mt-10 -61.31 -44.82 96.56 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 120.983 0.421 . . . . 0.0 109.962 175.649 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 84' ' ' LEU . . . . . 0.454 HD11 HG23 ' B' ' 114' ' ' ILE . 40.7 tp -64.61 -46.56 82.1 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.139 176.714 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -54.6 -51.3 65.75 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.201 -179.073 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 41.8 mtm105 -59.77 -52.11 66.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.237 -178.295 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 87' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' B' ' 83' ' ' GLU . 41.1 mt -63.09 -37.45 87.26 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.691 0.281 . . . . 0.0 111.262 -177.328 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.63 ' O ' ' HB2' ' B' ' 92' ' ' ARG . 34.9 t80 -53.2 -46.59 69.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.544 175.688 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -80.56 -31.84 36.78 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.295 -178.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -71.96 -33.97 68.61 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -174.247 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -113.18 15.72 19.34 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.819 0.342 . . . . 0.0 110.767 179.656 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 92' ' ' ARG . . . . . 0.63 ' HB2' ' O ' ' B' ' 88' ' ' PHE . 39.1 ttt180 -65.44 -22.63 66.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.776 -174.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 93' ' ' ASP . . . . . 0.541 ' HA ' ' HB3' ' B' ' 134' ' ' ARG . 9.4 p-10 -75.87 0.39 18.36 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.586 -179.298 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 9.5 t -105.15 147.16 28.27 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 176.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -59.84 -45.07 93.55 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.974 0.416 . . . . 0.0 111.625 -174.084 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -107.25 79.28 1.29 Allowed 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 175.431 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 97' ' ' VAL . . . . . 0.592 ' O ' HG13 ' B' ' 101' ' ' ILE . 2.3 p -64.14 -35.3 73.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.888 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 98' ' ' LEU . . . . . 0.582 ' O ' ' HG2' ' B' ' 102' ' ' MET . 5.5 mp -61.01 -38.51 86.3 Favored 'General case' 0 CA--C 1.517 -0.319 0 N-CA-C 111.518 0.192 . . . . 0.0 111.518 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -55.14 -40.55 74.98 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.963 -0.637 . . . . 0.0 111.887 177.2 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -78.46 -33.72 48.19 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 -179.022 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 101' ' ' ILE . . . . . 0.592 HG13 ' O ' ' B' ' 97' ' ' VAL . 65.4 mt -57.34 -64.03 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.676 177.123 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 102' ' ' MET . . . . . 0.582 ' HG2' ' O ' ' B' ' 98' ' ' LEU . 11.6 ptp -68.21 -15.22 63.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.744 -175.558 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -81.56 -48.93 11.15 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 121.119 -0.232 . . . . 0.0 110.995 178.348 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -94.29 -2.32 52.47 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 -169.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 105' ' ' ILE . . . . . 0.54 HG12 ' NH2' ' B' ' 109' ' ' ARG . 10.5 tp -91.54 156.8 2.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 C-N-CA 120.484 -0.487 . . . . 0.0 110.447 178.539 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 106' ' ' THR . . . . . 0.43 ' N ' HG13 ' B' ' 105' ' ' ILE . 13.7 t -65.82 -34.23 77.69 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.468 -0.787 . . . . 0.0 112.02 -175.417 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 107' ' ' ALA . . . . . 0.453 ' O ' HG23 ' B' ' 105' ' ' ILE . . . -97.98 126.53 43.44 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 178.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 108' ' ' LYS . . . . . 0.429 ' HE3' ' O ' ' B' ' 105' ' ' ILE . 0.1 OUTLIER -79.93 101.08 8.39 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 177.513 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 109' ' ' ARG . . . . . 0.54 ' NH2' HG12 ' B' ' 105' ' ' ILE . 35.5 mtt180 -100.66 164.14 12.01 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.653 -177.007 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 2.9 p -98.79 168.63 10.01 Favored 'General case' 0 C--N 1.311 -1.065 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.961 175.047 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 12.4 mmt85 -65.25 -42.87 92.85 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.865 -175.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.59 -27.38 66.24 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.432 179.541 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 113' ' ' ARG . . . . . 0.637 ' NE ' ' HA ' ' B' ' 113' ' ' ARG . 2.7 mmp_? -82.78 -32.78 27.58 Favored 'General case' 0 CA--C 1.509 -0.605 0 CA-C-O 120.978 0.418 . . . . 0.0 111.497 -179.041 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 114' ' ' ILE . . . . . 0.454 HG23 HD11 ' B' ' 84' ' ' LEU . 67.7 mt -83.03 -43.7 18.55 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.922 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.078 -177.522 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 115' ' ' VAL . . . . . 0.492 HG12 ' CD1' ' B' ' 130' ' ' LEU . 25.8 m -64.18 -39.73 86.54 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.194 0 CA-C-O 120.816 0.341 . . . . 0.0 110.628 -179.44 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -67.0 -43.61 82.49 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.636 -177.11 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 58.5 tptt -67.62 -31.77 72.03 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.25 0.548 . . . . 0.0 109.763 179.654 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 118' ' ' LEU . . . . . 0.533 HD21 ' CE1' ' B' ' 88' ' ' PHE . 3.6 tp -65.33 -40.73 94.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.612 178.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 119' ' ' LEU . . . . . 0.462 HD22 HG23 ' B' ' 124' ' ' VAL . 3.1 mt -67.66 -24.46 65.44 Favored 'General case' 0 N--CA 1.462 0.132 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.75 -45.26 29.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.346 -177.02 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 11.1 mp -63.37 -24.66 67.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.371 0.605 . . . . 0.0 109.519 171.655 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 68.78 34.24 77.33 Favored Glycine 0 N--CA 1.439 -1.118 0 CA-C-N 114.964 -1.016 . . . . 0.0 111.337 -176.057 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 123' ' ' LEU . . . . . 0.47 HD13 ' CD2' ' B' ' 88' ' ' PHE . 70.2 mt -68.75 -22.62 64.3 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 122.225 1.012 . . . . 0.0 108.326 171.765 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 124' ' ' VAL . . . . . 0.591 HG21 HD22 ' B' ' 130' ' ' LEU . 19.2 m -137.94 169.35 18.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 113.739 -1.573 . . . . 0.0 109.382 175.784 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -105.97 -6.15 19.04 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.436 178.512 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 126' ' ' GLU . . . . . 0.43 ' CD ' ' HB3' ' B' ' 128' ' ' ARG . 10.7 pt-20 -170.12 173.76 5.75 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 -174.747 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 127' ' ' ARG . . . . . 0.708 ' HA ' HD21 ' B' ' 130' ' ' LEU . 35.4 mtp180 -78.8 -21.83 47.2 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -177.574 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 128' ' ' ARG . . . . . 0.43 ' HB3' ' CD ' ' B' ' 126' ' ' GLU . 3.1 ttm-85 -65.1 -34.52 78.6 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 112.681 0.622 . . . . 0.0 112.681 -176.161 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -67.24 -35.21 79.09 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 111.779 0.288 . . . . 0.0 111.779 -174.137 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 130' ' ' LEU . . . . . 0.708 HD21 ' HA ' ' B' ' 127' ' ' ARG . 0.1 OUTLIER -82.16 15.35 2.41 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -173.235 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 131' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -129.99 46.33 2.67 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.195 0.521 . . . . 0.0 109.595 174.652 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 132' ' ' LYS . . . . . 0.432 ' HB2' HE22 ' B' ' 135' ' ' GLN . 36.8 mmtm -131.78 -179.34 5.33 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.307 -179.121 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm -86.06 173.9 9.56 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.202 177.131 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 134' ' ' ARG . . . . . 0.596 ' O ' ' HG2' ' B' ' 134' ' ' ARG . 0.1 OUTLIER -63.81 80.46 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.714 0 CA-C-O 122.009 0.909 . . . . 0.0 112.0 176.232 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 135' ' ' GLN . . . . . 0.432 HE22 ' HB2' ' B' ' 132' ' ' LYS . 3.5 pm0 -112.03 170.65 8.01 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.358 169.445 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -46.44 145.96 1.61 Allowed 'General case' 0 N--CA 1.466 0.347 0 O-C-N 123.605 0.566 . . . . 0.0 111.38 177.006 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.25 99.27 2.34 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.567 -1.272 . . . . 0.0 107.567 171.502 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 72.0 mt -63.54 168.89 4.26 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.477 -175.716 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . -73.1 -153.58 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.732 174.281 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 21.8 t -63.15 102.09 0.35 Allowed 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 175.525 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 141' ' ' SER . . . . . . . . . . . . . 20.8 t . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.721 -0.657 . . . . 0.0 109.696 179.347 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' ASP . . . . . 0.509 ' HB2' ' HD3' ' B' ' 2' ' ' PRO . 2.3 m-20 . . . . . 0 N--CA 1.483 1.194 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 2' ' ' PRO . . . . . 0.509 ' HD3' ' HB2' ' B' ' 1' ' ' ASP . 67.8 Cg_endo -82.92 20.41 1.16 Allowed 'Trans proline' 0 C--N 1.355 0.88 0 C-N-CA 121.677 1.584 . . . . 0.0 112.983 -173.685 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 19.8 m -101.45 18.34 20.39 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.043 0.449 . . . . 0.0 111.127 -176.129 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 41.0 mtp-105 -88.86 177.96 6.56 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.368 178.472 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -67.71 95.5 0.5 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.362 0.601 . . . . 0.0 109.392 177.046 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.506 ' HB3' ' HD3' ' B' ' 44' ' ' PRO . . . -112.71 151.93 44.35 Favored Pre-proline 0 C--N 1.313 -1.019 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.802 177.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 7' ' ' PRO . . . . . 0.547 ' HD2' ' O ' ' B' ' 42' ' ' THR . 44.2 Cg_exo -59.32 178.44 0.31 Allowed 'Trans proline' 0 CA--C 1.534 0.513 0 C-N-CA 122.903 2.402 . . . . 0.0 113.522 175.047 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 11.2 t -90.0 160.79 16.19 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.221 -178.692 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 98.2 m95 -59.56 110.83 1.21 Allowed 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.208 178.381 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 43.1 t -77.44 151.9 80.87 Favored Pre-proline 0 C--N 1.314 -0.936 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 166.631 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -49.42 -34.75 33.84 Favored 'Trans proline' 0 C--O 1.237 0.438 0 C-N-CA 122.273 1.982 . . . . 0.0 112.353 176.574 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -75.54 -23.84 56.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.904 178.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.548 ' OE2' HG21 ' B' ' 42' ' ' THR . 8.6 tp10 -72.83 -30.41 64.0 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -67.62 -38.29 83.71 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.443 174.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' ALA . . . . . 0.456 ' O ' ' HB2' ' B' ' 19' ' ' GLU . . . -69.44 -32.38 71.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.453 175.766 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.553 ' HA ' ' CB ' ' B' ' 19' ' ' GLU . 11.6 t-160 -76.36 -20.1 57.53 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.036 175.518 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -74.29 -47.17 36.51 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' ARG . . . . . 0.732 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 34.8 ptt180 -69.84 -29.84 67.19 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 172.663 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 19' ' ' GLU . . . . . 0.553 ' CB ' ' HA ' ' B' ' 16' ' ' HIS . 7.5 tp10 -54.08 -47.61 71.53 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.67 -177.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.427 HD23 ' ND2' ' B' ' 24' ' ' ASN . 0.3 OUTLIER -76.22 -30.08 57.82 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.536 -178.913 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -69.08 -51.46 38.53 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.003 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.732 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 49.9 mt -61.19 -31.49 71.25 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.908 -177.626 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.57 -23.73 49.93 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.085 -177.723 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' ASN . . . . . 0.427 ' ND2' HD23 ' B' ' 20' ' ' LEU . 35.7 m-80 -123.42 16.91 9.74 Favored 'General case' 0 N--CA 1.462 0.167 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -176.613 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -85.75 -13.64 47.71 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.93 0.395 . . . . 0.0 111.088 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -102.05 -2.02 30.44 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.649 -173.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 2.7 p -90.55 109.68 21.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.491 0.662 . . . . 0.0 110.154 176.015 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -89.24 149.24 23.18 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.58 -177.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.42 8.61 77.36 Favored Glycine 0 N--CA 1.451 -0.351 0 N-CA-C 110.742 -0.943 . . . . 0.0 110.742 -174.727 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -122.92 159.11 28.94 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.938 -0.631 . . . . 0.0 110.151 -177.831 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 31' ' ' ASP . . . . . 0.604 ' OD1' HG22 ' B' ' 33' ' ' VAL . 10.5 t70 -93.53 114.52 26.9 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 173.314 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 9.4 p -70.78 -34.16 55.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.733 0.301 . . . . 0.0 111.225 -173.275 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 33' ' ' VAL . . . . . 0.604 HG22 ' OD1' ' B' ' 31' ' ' ASP . 1.3 m -77.09 -36.55 24.87 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.541 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 -176.047 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -62.74 -28.33 69.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.796 176.335 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.86 -51.07 44.33 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.776 177.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 22.9 mt -67.68 -54.29 24.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.671 -178.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.706 HD23 HD13 ' B' ' 50' ' ' ILE . 34.6 mt -44.52 -42.6 7.32 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 123.897 0.748 . . . . 0.0 112.205 -178.85 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -89.27 -28.94 19.56 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 -169.165 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -86.8 -28.81 22.72 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 -168.527 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.501 ' HG ' HH22 ' B' ' 45' ' ' ARG . 1.3 pt? -119.72 97.28 5.55 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 122.025 0.917 . . . . 0.0 111.7 -177.02 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 49.3 m-80 -89.9 40.68 1.01 Allowed 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.547 -0.752 . . . . 0.0 110.496 -178.19 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 42' ' ' THR . . . . . 0.763 HG23 HG12 ' B' ' 43' ' ' VAL . 1.8 t -81.29 -28.83 34.48 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.092 -0.958 . . . . 0.0 112.503 -175.052 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 43' ' ' VAL . . . . . 0.763 HG12 HG23 ' B' ' 42' ' ' THR . 0.1 OUTLIER -142.02 145.2 35.1 Favored Pre-proline 0 C--N 1.323 -0.551 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 -178.672 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 44' ' ' PRO . . . . . 0.746 ' HD2' HG23 ' B' ' 43' ' ' VAL . 59.4 Cg_endo -67.48 105.2 1.02 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 C-N-CA 122.453 2.102 . . . . 0.0 112.554 -171.365 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.686 ' CZ ' HG13 ' B' ' 43' ' ' VAL . 0.8 OUTLIER -103.57 135.1 45.78 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.724 0.773 . . . . 0.0 112.75 -171.418 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 25.4 p -90.48 171.49 9.38 Favored 'General case' 0 C--N 1.308 -1.209 0 N-CA-C 106.68 -1.6 . . . . 0.0 106.68 154.617 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 47' ' ' ARG . . . . . 0.569 ' HA ' HD21 ' B' ' 37' ' ' LEU . 1.3 mpp_? -58.59 -40.89 84.49 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.654 0.74 . . . . 0.0 109.656 175.683 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.416 ' HE2' ' HB3' ' B' ' 48' ' ' LYS . 22.3 ttpt -59.48 -33.54 71.44 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.578 -1.192 . . . . 0.0 112.398 178.6 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.527 HE22 HG22 ' B' ' 43' ' ' VAL . 0.0 OUTLIER -52.18 -61.93 1.95 Allowed 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -175.553 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.706 HD13 HD23 ' B' ' 37' ' ' LEU . 2.2 mp -65.2 -45.11 94.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.955 -178.072 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.792 HG21 HG13 ' B' ' 63' ' ' VAL . 90.6 mt -51.64 -49.18 35.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-O 121.196 0.522 . . . . 0.0 111.423 -178.286 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 1.9 m170 -61.45 -50.77 71.43 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.356 -0.838 . . . . 0.0 112.032 -176.121 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 53' ' ' HIS . . . . . 0.658 ' O ' ' HB2' ' B' ' 57' ' ' MET . 62.5 m-70 -66.93 -22.2 65.95 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.621 -0.432 . . . . 0.0 111.491 -174.458 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 54' ' ' LEU . . . . . 0.648 HD22 HD11 ' B' ' 59' ' ' LEU . 40.5 mt -75.99 -50.6 14.41 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.014 0.435 . . . . 0.0 110.24 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 19.2 m -69.56 -31.85 50.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.145 0.498 . . . . 0.0 110.226 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -74.22 -18.79 60.7 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.938 177.631 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.658 ' HB2' ' O ' ' B' ' 53' ' ' HIS . 16.3 ttm -85.51 -4.37 59.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.2 0.524 . . . . 0.0 110.158 -179.419 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 79.88 2.62 88.71 Favored Glycine 0 N--CA 1.453 -0.221 0 CA-C-N 115.79 -0.641 . . . . 0.0 112.793 176.649 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.648 HD11 HD22 ' B' ' 54' ' ' LEU . 4.2 pp -93.5 -16.49 24.42 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.902 0.382 . . . . 0.0 110.642 -179.344 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -121.64 160.62 24.05 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.717 176.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -74.36 -68.28 0.54 Allowed 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.273 0.471 . . . . 0.0 112.273 -177.029 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 22.0 m -157.15 162.88 39.37 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.039 0.447 . . . . 0.0 111.142 -173.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 63' ' ' VAL . . . . . 0.792 HG13 HG21 ' B' ' 51' ' ' ILE . 39.5 t -66.81 -20.61 27.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.73 175.53 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 64' ' ' LYS . . . . . 0.474 ' HG3' ' HA ' ' B' ' 71' ' ' THR . 0.1 OUTLIER -44.05 -50.5 8.39 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.57 -1.195 . . . . 0.0 112.248 172.802 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -87.35 -6.59 58.42 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.907 -1.042 . . . . 0.0 111.567 -168.767 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 66' ' ' PHE . . . . . 0.571 ' CG ' HG23 ' B' ' 51' ' ' ILE . 10.8 m-85 -93.98 -51.1 5.01 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.526 175.639 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -155.92 -100.38 0.03 OUTLIER 'General case' 0 C--O 1.232 0.158 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 17.5 tpt180 -155.27 79.94 1.04 Allowed 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 179.48 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 69' ' ' LYS . . . . . 0.4 ' CB ' HG11 ' B' ' 63' ' ' VAL . 7.0 mmtt -158.85 31.92 0.22 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.105 0.479 . . . . 0.0 111.009 171.629 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -170.46 51.73 0.2 Allowed Glycine 0 CA--C 1.503 -0.663 0 N-CA-C 110.29 -1.124 . . . . 0.0 110.29 -179.314 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 71' ' ' THR . . . . . 0.474 ' HA ' ' HG3' ' B' ' 64' ' ' LYS . 1.2 p -70.41 164.67 24.12 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.781 0.8 . . . . 0.0 112.745 -172.299 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 72' ' ' HIS . . . . . 0.414 ' HB3' ' HD2' ' B' ' 64' ' ' LYS . 13.5 p-80 -85.8 3.54 41.04 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.581 -1.19 . . . . 0.0 108.793 174.004 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 73' ' ' ILE . . . . . 0.439 ' H ' ' HB ' ' B' ' 71' ' ' THR . 0.5 OUTLIER -65.45 129.64 29.89 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.739 0 CA-C-N 114.847 -1.07 . . . . 0.0 111.644 -172.53 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 74' ' ' VAL . . . . . 0.578 ' O ' ' HD1' ' B' ' 76' ' ' TRP . 0.2 OUTLIER -55.13 140.71 12.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 113.8 -1.545 . . . . 0.0 109.397 169.836 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.614 ' O ' ' HG ' ' B' ' 75' ' ' LEU . 2.6 pt? -55.72 94.9 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 121.83 0.824 . . . . 0.0 110.81 179.474 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 76' ' ' TRP . . . . . 0.578 ' HD1' ' O ' ' B' ' 74' ' ' VAL . 12.1 m95 -81.3 110.29 16.61 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.166 -179.441 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 28.8 p -101.93 176.17 5.3 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.151 177.626 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -58.2 -41.54 94.85 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 121.255 -0.498 . . . . 0.0 112.847 -177.623 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 79' ' ' ASP . . . . . 0.654 ' O ' ' HG3' ' B' ' 83' ' ' GLU . 8.0 p-10 -65.93 -47.03 76.07 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.599 -0.148 . . . . 0.0 110.599 179.214 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -62.56 -39.23 92.97 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 121.003 0.43 . . . . 0.0 111.05 -179.337 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -66.59 -39.39 88.38 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.777 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -66.56 -43.21 85.67 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.185 176.372 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 83' ' ' GLU . . . . . 0.654 ' HG3' ' O ' ' B' ' 79' ' ' ASP . 86.1 mt-10 -56.35 -60.4 3.57 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.364 0.602 . . . . 0.0 111.578 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 84' ' ' LEU . . . . . 0.497 ' O ' HD12 ' B' ' 84' ' ' LEU . 2.7 tp -77.84 -25.54 48.8 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.605 -168.274 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 85' ' ' GLN . . . . . 0.609 ' O ' ' HG3' ' B' ' 89' ' ' GLU . 28.8 tt0 -61.75 -45.16 95.12 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.036 177.506 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -77.11 -43.95 32.29 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.488 -178.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 6.8 tp -59.13 -41.81 89.13 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.141 -177.241 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -56.99 -49.9 74.34 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.785 176.087 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.609 ' HG3' ' O ' ' B' ' 85' ' ' GLN . 51.7 mt-10 -58.03 -38.15 75.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.147 0.499 . . . . 0.0 111.206 -178.481 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -75.63 -39.86 57.16 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.471 -0.786 . . . . 0.0 112.058 -172.373 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -92.7 13.17 20.9 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 -173.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 92' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' B' ' 92' ' ' ARG . 18.4 mtm180 -68.69 -16.07 63.71 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 121.62 0.724 . . . . 0.0 109.472 174.22 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -69.97 -17.53 63.31 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.646 -1.161 . . . . 0.0 111.346 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 53.5 p -103.96 157.09 17.34 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 121.081 -0.248 . . . . 0.0 110.634 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 95' ' ' ASP . . . . . 0.511 ' HA ' ' HB3' ' B' ' 132' ' ' LYS . 4.1 p-10 -61.14 -30.99 70.72 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 -171.44 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -130.39 100.29 5.31 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.091 0.472 . . . . 0.0 109.951 176.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 97' ' ' VAL . . . . . 0.684 ' O ' HG12 ' B' ' 101' ' ' ILE . 9.7 p -65.77 -45.08 92.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.427 -175.371 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 98' ' ' LEU . . . . . 0.504 ' HB2' ' NH1' ' B' ' 111' ' ' ARG . 4.5 mp -69.33 -30.14 68.12 Favored 'General case' 0 CA--C 1.522 -0.131 0 CA-C-O 120.457 0.17 . . . . 0.0 111.248 -173.549 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 99' ' ' GLY . . . . . 0.514 ' O ' ' HG2' ' B' ' 103' ' ' LYS . . . -61.8 -43.22 99.52 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.459 -0.877 . . . . 0.0 111.113 175.689 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -73.29 -26.83 61.24 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.888 0.375 . . . . 0.0 110.004 178.747 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 101' ' ' ILE . . . . . 0.684 HG12 ' O ' ' B' ' 97' ' ' VAL . 37.4 mm -59.03 -62.1 1.16 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.26 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.578 175.524 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 56.3 mtt -56.52 -37.38 70.35 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.406 -174.459 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 103' ' ' LYS . . . . . 0.514 ' HG2' ' O ' ' B' ' 99' ' ' GLY . 75.2 mmtt -72.87 -36.83 67.47 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.213 -177.779 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -88.74 -27.6 21.07 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 -174.144 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 105' ' ' ILE . . . . . 0.508 HG22 ' O ' ' B' ' 101' ' ' ILE . 11.2 tp -91.68 157.33 2.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.617 0.722 . . . . 0.0 111.32 -176.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 106' ' ' THR . . . . . 0.415 ' N ' HG13 ' B' ' 105' ' ' ILE . 12.1 t -74.2 -33.23 63.34 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 114.984 -1.007 . . . . 0.0 112.218 -174.41 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -99.96 129.88 46.08 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 122.196 -0.315 . . . . 0.0 111.085 -177.4 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.11 101.12 7.72 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.173 0.511 . . . . 0.0 109.7 175.539 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 58.2 mtt180 -110.25 121.02 44.3 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.536 -177.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 1.2 m -60.01 157.29 13.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 123.668 0.605 . . . . 0.0 111.475 -175.449 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 111' ' ' ARG . . . . . 0.504 ' NH1' ' HB2' ' B' ' 98' ' ' LEU . 12.2 mmt180 -54.05 -46.97 72.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.542 -177.503 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.82 -24.37 67.72 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.481 -177.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 113' ' ' ARG . . . . . 0.45 ' HD3' HG12 ' B' ' 74' ' ' VAL . 39.8 mtt180 -75.96 -50.03 16.06 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 178.483 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 62.9 mt -60.28 -54.96 27.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.848 -178.54 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 115' ' ' VAL . . . . . 0.566 ' O ' HD23 ' B' ' 119' ' ' LEU . 19.0 m -64.39 -36.95 78.7 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.25 -174.253 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -67.55 -32.38 73.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.695 0.283 . . . . 0.0 110.695 179.437 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 23.9 tptp -79.99 -33.58 39.24 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.085 -179.283 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 1.7 mp -59.45 -48.44 81.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.048 0.452 . . . . 0.0 110.752 176.47 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 119' ' ' LEU . . . . . 0.566 HD23 ' O ' ' B' ' 115' ' ' VAL . 4.4 mm? -63.06 -33.11 74.73 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.601 178.327 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.14 -30.74 58.28 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.045 -177.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 98.5 mt -79.35 -24.33 42.79 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.317 0.579 . . . . 0.0 110.245 174.515 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 79.36 34.64 31.87 Favored Glycine 0 N--CA 1.442 -0.952 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 -174.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 66.6 mt -79.83 -26.91 40.31 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-O 121.52 0.676 . . . . 0.0 109.427 178.759 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 124' ' ' VAL . . . . . 0.713 ' HA ' ' OG ' ' B' ' 141' ' ' SER . 30.4 m -140.42 162.31 24.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 114.476 -1.238 . . . . 0.0 109.582 176.734 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -95.98 -7.39 36.56 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.368 178.654 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -175.0 174.9 2.4 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.426 -174.615 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 127' ' ' ARG . . . . . 0.601 ' HA ' HD21 ' B' ' 130' ' ' LEU . 46.2 mtm180 -78.28 -26.41 47.07 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 -176.008 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 128' ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 -61.42 -27.86 68.85 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 120.888 0.375 . . . . 0.0 111.005 -176.051 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -68.5 -26.97 65.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.532 -175.458 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 130' ' ' LEU . . . . . 0.601 HD21 ' HA ' ' B' ' 127' ' ' ARG . 0.1 OUTLIER -100.16 16.29 24.64 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.493 -177.623 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 131' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -123.53 95.99 4.8 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 174.151 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 132' ' ' LYS . . . . . 0.511 ' HB3' ' HA ' ' B' ' 95' ' ' ASP . 48.0 tptt -76.41 67.54 2.63 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.138 -177.573 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -109.07 172.6 6.75 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.696 -178.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 134' ' ' ARG . . . . . 0.621 ' HD3' ' O ' ' B' ' 134' ' ' ARG . 4.2 tmt_? -64.96 85.99 0.05 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.514 0.674 . . . . 0.0 109.824 174.502 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 135' ' ' GLN . . . . . 0.445 ' HG3' ' O ' ' B' ' 136' ' ' LYS . 29.8 pt20 -132.32 171.43 13.73 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.084 174.651 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 136' ' ' LYS . . . . . 0.445 ' O ' ' HG3' ' B' ' 135' ' ' GLN . 51.3 pttt -60.72 179.96 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 172.315 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -62.47 146.3 51.92 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.148 -0.621 . . . . 0.0 110.622 -176.579 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 54.7 mt -52.43 152.85 3.27 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 115.053 -0.976 . . . . 0.0 111.336 178.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . -80.93 -160.17 0.3 Allowed 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.327 -179.026 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 15.6 t -92.84 82.68 4.7 Favored 'General case' 0 N--CA 1.446 -0.651 0 C-N-CA 120.219 -0.592 . . . . 0.0 109.61 177.405 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 141' ' ' SER . . . . . 0.713 ' OG ' ' HA ' ' B' ' 124' ' ' VAL . 22.7 t . . . . . 0 C--O 1.246 0.88 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.913 176.296 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 1' ' ' ASP . . . . . 0.565 ' HB2' ' HD2' ' B' ' 2' ' ' PRO . 2.7 p30 . . . . . 0 N--CA 1.484 1.26 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 2' ' ' PRO . . . . . 0.565 ' HD2' ' HB2' ' B' ' 1' ' ' ASP . 2.9 Cg_exo -37.22 -45.0 1.39 Allowed 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 124.234 3.289 . . . . 0.0 114.424 175.418 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -85.73 -43.6 13.24 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.051 0.453 . . . . 0.0 110.774 -177.697 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' ARG . . . . . 0.564 ' HA ' ' CB ' ' B' ' 44' ' ' PRO . 80.8 mtt85 -88.79 99.33 12.29 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.582 0.706 . . . . 0.0 112.163 -174.5 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 5' ' ' ARG . . . . . 0.4 ' NE ' ' H ' ' B' ' 6' ' ' ALA . 0.0 OUTLIER -88.9 146.69 24.78 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 106.987 -1.486 . . . . 0.0 106.987 168.407 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.4 ' H ' ' NE ' ' B' ' 5' ' ' ARG . . . -63.84 146.82 96.81 Favored Pre-proline 0 C--N 1.323 -0.574 0 C-N-CA 120.444 -0.502 . . . . 0.0 111.095 -177.176 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 7' ' ' PRO . . . . . 0.442 ' HB3' ' NE ' ' B' ' 45' ' ' ARG . 1.6 Cg_endo -43.77 128.96 7.1 Favored 'Trans proline' 0 N--CA 1.472 0.236 0 C-N-CA 124.956 3.77 . . . . 0.0 115.979 -172.189 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 40.4 p -127.77 96.75 4.6 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.04 -0.982 . . . . 0.0 108.53 168.224 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' TRP . . . . . 0.746 ' HZ2' ' NH1' ' B' ' 45' ' ' ARG . 96.4 m95 -96.96 152.61 18.54 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 113.196 0.813 . . . . 0.0 113.196 -168.757 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 10' ' ' SER . . . . . 0.423 ' OG ' ' HB2' ' B' ' 13' ' ' GLU . 5.2 p -127.15 163.03 44.5 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 114.282 -1.326 . . . . 0.0 109.484 175.052 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -49.86 -55.11 4.44 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 122.898 2.398 . . . . 0.0 113.814 -175.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -62.62 -38.66 91.09 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.364 0.602 . . . . 0.0 110.057 -179.208 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.468 ' HG2' ' CZ3' ' B' ' 9' ' ' TRP . 35.0 tt0 -59.09 -44.41 91.92 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.035 -0.984 . . . . 0.0 111.614 -173.467 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -74.38 -25.39 59.46 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.764 0.316 . . . . 0.0 111.113 178.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.29 -39.66 74.75 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.376 0.608 . . . . 0.0 109.6 174.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.47 ' HA ' ' CB ' ' B' ' 19' ' ' GLU . 1.3 t60 -66.97 -26.16 66.68 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.166 -0.924 . . . . 0.0 110.237 174.525 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.661 HD11 HG23 ' B' ' 50' ' ' ILE . 37.4 tp -65.4 -48.81 71.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.411 0.624 . . . . 0.0 109.334 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 18' ' ' ARG . . . . . 0.795 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 37.5 ptt180 -75.48 -30.58 59.95 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 115.657 -0.702 . . . . 0.0 109.408 176.248 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 19' ' ' GLU . . . . . 0.47 ' CB ' ' HA ' ' B' ' 16' ' ' HIS . 10.3 tp10 -51.69 -53.48 38.66 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.853 0.835 . . . . 0.0 110.26 179.189 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.39 -31.0 69.1 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.825 -1.079 . . . . 0.0 111.342 -177.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 57.1 t80 -67.8 -49.69 60.94 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.173 179.052 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.795 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 53.3 mt -57.98 -25.16 60.67 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.386 -0.824 . . . . 0.0 111.183 -178.683 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.99 -52.39 7.89 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.973 0.416 . . . . 0.0 111.815 178.419 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -90.64 -4.19 56.98 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 113.01 0.745 . . . . 0.0 113.01 -169.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -62.91 -24.14 67.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.132 0.491 . . . . 0.0 110.65 178.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -75.03 -22.61 58.34 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.031 -177.573 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 17.5 t -78.98 107.39 11.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.22 -0.445 . . . . 0.0 109.866 -177.172 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -87.11 139.83 30.17 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.367 -177.179 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.29 -0.0 80.64 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.841 -0.695 . . . . 0.0 111.556 -178.263 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -108.31 145.36 34.54 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.139 0.495 . . . . 0.0 111.121 178.588 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -69.14 102.79 1.74 Allowed 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 167.46 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.458 HG12 ' O ' ' B' ' 66' ' ' PHE . 7.9 p -70.47 -26.55 29.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.515 -176.818 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 33' ' ' VAL . . . . . 0.732 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 0.3 OUTLIER -63.7 -51.83 65.08 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.536 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 -179.402 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.645 ' HA ' HD11 ' B' ' 37' ' ' LEU . 37.6 mt-10 -60.1 -33.65 72.4 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.885 178.056 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.32 -45.85 83.82 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.425 0.631 . . . . 0.0 109.815 174.345 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.565 ' O ' ' HG ' ' B' ' 40' ' ' LEU . 35.6 mt -70.6 -64.16 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.216 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.732 ' HG ' ' O ' ' B' ' 33' ' ' VAL . 2.3 pp -65.39 -23.92 67.09 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 -169.601 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 38' ' ' ALA . . . . . 0.541 ' N ' HD12 ' B' ' 37' ' ' LEU . . . -89.17 -33.17 17.13 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -178.285 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 34.6 m80 -75.77 -29.68 58.87 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.44 -0.504 . . . . 0.0 110.942 -177.17 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.586 HD12 ' O ' ' B' ' 40' ' ' LEU . 2.0 pp -97.2 127.36 43.09 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 120.289 -0.564 . . . . 0.0 110.463 172.853 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 20.0 p-10 -109.54 37.03 2.74 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.833 0.825 . . . . 0.0 109.36 177.31 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 9.0 t -88.56 -33.72 17.62 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.963 -1.017 . . . . 0.0 110.827 -176.683 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 43' ' ' VAL . . . . . 0.451 ' HA ' ' HD3' ' B' ' 44' ' ' PRO . 14.5 p -143.36 134.29 12.48 Favored Pre-proline 0 N--CA 1.451 -0.395 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.915 -176.687 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 44' ' ' PRO . . . . . 0.564 ' CB ' ' HA ' ' B' ' 4' ' ' ARG . 3.0 Cg_exo -75.94 121.51 6.26 Favored 'Trans proline' 0 CA--C 1.53 0.298 0 C-N-CA 122.716 2.277 . . . . 0.0 110.991 171.682 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.845 ' CZ ' ' HB3' ' B' ' 49' ' ' GLN . 17.5 mmm-85 -134.13 177.69 7.55 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-O 121.843 0.83 . . . . 0.0 111.664 -177.527 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 46' ' ' THR . . . . . 0.404 ' OG1' ' HG2' ' B' ' 49' ' ' GLN . 5.9 p -103.77 159.19 15.84 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 113.66 -1.609 . . . . 0.0 107.74 168.588 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 47' ' ' ARG . . . . . 0.438 ' O ' HG13 ' B' ' 51' ' ' ILE . 7.6 mpt_? -55.36 -41.84 73.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.38 0.609 . . . . 0.0 109.458 176.127 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -56.98 -50.58 72.26 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.78 -1.1 . . . . 0.0 111.287 177.615 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.845 ' HB3' ' CZ ' ' B' ' 45' ' ' ARG . 13.2 mm-40 -57.03 -40.26 76.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.54 -0.755 . . . . 0.0 112.82 -176.406 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.719 HG13 HD23 ' B' ' 37' ' ' LEU . 11.4 mm -66.69 -52.05 49.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.245 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.55 HG12 ' CD2' ' B' ' 66' ' ' PHE . 67.5 mt -57.03 -41.97 78.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.116 -0.947 . . . . 0.0 109.48 -178.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -56.41 -54.86 40.61 Favored 'General case' 0 C--O 1.218 -0.568 0 CA-C-N 114.916 -1.038 . . . . 0.0 112.707 -176.554 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 53' ' ' HIS . . . . . 0.437 ' O ' ' HB2' ' B' ' 57' ' ' MET . 31.3 m-70 -58.65 -31.55 68.26 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 118.432 0.56 . . . . 0.0 111.824 -179.386 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 54' ' ' LEU . . . . . 0.438 ' HB3' HD11 ' B' ' 59' ' ' LEU . 40.5 mt -83.99 -46.5 11.99 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.565 -171.108 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 55' ' ' VAL . . . . . 0.446 HG22 ' O ' ' B' ' 51' ' ' ILE . 33.8 m -70.81 -24.65 25.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.222 0.534 . . . . 0.0 110.275 176.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -81.84 -18.55 43.52 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.069 177.463 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.437 ' HB2' ' O ' ' B' ' 53' ' ' HIS . 30.0 ttm -85.24 -2.58 58.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.049 0.452 . . . . 0.0 110.268 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 81.24 -2.65 80.83 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 121.049 -0.596 . . . . 0.0 112.79 176.573 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.438 HD11 ' HB3' ' B' ' 54' ' ' LEU . 4.1 pp -83.51 -17.55 41.52 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.282 0.563 . . . . 0.0 110.305 -179.664 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -133.02 155.91 48.33 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.241 -0.891 . . . . 0.0 109.457 174.484 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -85.62 -62.62 1.49 Allowed 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.341 -178.037 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 33.8 t -150.82 177.34 10.2 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.043 0.449 . . . . 0.0 111.314 -174.062 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 63' ' ' VAL . . . . . 0.495 HG22 HG21 ' B' ' 51' ' ' ILE . 89.7 t -55.76 -26.8 20.97 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.657 177.399 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 17.2 pttm -55.31 -37.38 67.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.759 178.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -80.6 -7.68 59.35 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.096 -0.956 . . . . 0.0 111.205 -176.384 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 66' ' ' PHE . . . . . 0.633 ' HD2' HG22 ' B' ' 33' ' ' VAL . 4.7 m-85 -105.12 -50.2 3.3 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 -172.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -160.04 24.61 0.17 Allowed 'General case' 0 N--CA 1.443 -0.797 0 C-N-CA 120.057 -0.657 . . . . 0.0 111.254 -168.672 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 9.9 mtt180 -132.35 145.75 51.48 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.411 0.624 . . . . 0.0 112.298 -174.078 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -103.05 -6.27 22.48 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 163.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -90.82 130.25 10.18 Favored Glycine 0 N--CA 1.444 -0.825 0 CA-C-N 114.359 -1.291 . . . . 0.0 112.555 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 71' ' ' THR . . . . . 0.446 ' CB ' HH12 ' B' ' 113' ' ' ARG . 0.8 OUTLIER -120.96 173.18 7.41 Favored 'General case' 0 C--N 1.318 -0.799 0 C-N-CA 122.139 0.176 . . . . 0.0 110.99 -179.713 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 26.2 p-80 -60.42 116.66 4.46 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 107.27 -1.382 . . . . 0.0 107.27 166.172 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 73' ' ' ILE . . . . . 0.454 HG12 ' NH1' ' B' ' 113' ' ' ARG . 0.7 OUTLIER -126.02 127.81 71.33 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.303 0 C-N-CA 119.839 -0.745 . . . . 0.0 112.357 -171.241 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 11.2 m -75.71 149.16 6.94 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.846 0 CA-C-N 114.208 -1.36 . . . . 0.0 108.016 172.325 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.11 95.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.339 0.59 . . . . 0.0 111.922 -175.271 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 76' ' ' TRP . . . . . 0.689 ' CE3' ' HG2' ' B' ' 80' ' ' GLN . 73.8 m95 -94.45 108.85 20.76 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.201 0.524 . . . . 0.0 110.366 179.772 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 46.8 p -103.34 176.03 5.28 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.432 174.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -60.03 -40.35 96.92 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.254 -0.974 . . . . 0.0 110.813 172.533 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -58.84 -59.37 5.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.066 -0.567 . . . . 0.0 110.916 176.45 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 80' ' ' GLN . . . . . 0.689 ' HG2' ' CE3' ' B' ' 76' ' ' TRP . 34.4 tt0 -57.77 -43.01 85.21 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.608 -175.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -67.61 -43.24 80.92 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.777 -177.132 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 21.3 tp -68.35 -38.07 81.1 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.912 177.482 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -61.73 -46.37 89.94 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.377 -177.093 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 84' ' ' LEU . . . . . 0.577 HD12 ' NH1' ' B' ' 109' ' ' ARG . 10.3 tt -67.29 -35.98 80.58 Favored 'General case' 0 C--O 1.224 -0.279 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 177.321 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 85' ' ' GLN . . . . . 0.44 ' HG2' HD21 ' B' ' 123' ' ' LEU . 1.0 OUTLIER -55.39 -52.42 63.61 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 123.343 0.402 . . . . 0.0 110.201 178.46 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 71.7 mtm180 -66.84 -36.68 82.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.486 -179.562 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 20.4 tp -70.55 -44.86 66.58 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.749 -177.648 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.67 ' O ' ' HB2' ' B' ' 92' ' ' ARG . 8.1 t80 -45.92 -47.12 16.36 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.756 175.187 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -64.72 -44.38 90.38 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.45 0.643 . . . . 0.0 111.25 -179.572 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -72.68 -42.56 64.14 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.135 -0.939 . . . . 0.0 112.297 -169.083 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -98.44 17.63 18.47 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.842 0.353 . . . . 0.0 111.306 -179.089 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 92' ' ' ARG . . . . . 0.67 ' HB2' ' O ' ' B' ' 88' ' ' PHE . 46.7 ttt180 -75.31 -11.69 60.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.652 -179.17 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -73.65 6.3 3.24 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.785 0.802 . . . . 0.0 110.519 177.29 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 4.8 m -103.07 160.97 14.16 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 178.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 95' ' ' ASP . . . . . 0.415 ' HA ' ' HG2' ' B' ' 132' ' ' LYS . 5.9 t70 -65.85 -48.44 71.62 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.183 0.516 . . . . 0.0 109.833 -179.027 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -105.06 99.57 9.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.432 170.35 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 97' ' ' VAL . . . . . 0.484 ' O ' HG13 ' B' ' 101' ' ' ILE . 10.2 p -64.67 -39.69 86.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 C-N-CA 120.333 -0.547 . . . . 0.0 110.076 178.714 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 98' ' ' LEU . . . . . 0.762 ' O ' ' HG3' ' B' ' 102' ' ' MET . 3.2 mp -58.87 -41.14 86.36 Favored 'General case' 0 C--O 1.22 -0.462 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.279 179.709 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -53.37 -44.63 66.05 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 121.211 -0.519 . . . . 0.0 113.093 -178.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 64.8 m-70 -81.17 -25.0 37.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.859 0.362 . . . . 0.0 110.46 -179.593 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 101' ' ' ILE . . . . . 0.484 HG13 ' O ' ' B' ' 97' ' ' VAL . 57.2 mt -61.28 -56.82 15.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.979 172.001 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 102' ' ' MET . . . . . 0.762 ' HG3' ' O ' ' B' ' 98' ' ' LEU . 18.6 mtp -64.37 -27.67 69.17 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.167 0.508 . . . . 0.0 110.309 -175.156 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -75.38 -44.3 45.57 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.502 -176.342 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -105.07 0.47 27.57 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -169.695 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 105' ' ' ILE . . . . . 0.441 HG13 ' N ' ' B' ' 106' ' ' THR . 11.1 tp -91.48 158.83 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.265 0.555 . . . . 0.0 110.89 -177.738 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 106' ' ' THR . . . . . 0.441 ' N ' HG13 ' B' ' 105' ' ' ILE . 6.5 t -71.45 -36.74 71.33 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.243 -0.89 . . . . 0.0 111.822 -176.119 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 107' ' ' ALA . . . . . 0.622 ' HB3' ' NH2' ' B' ' 109' ' ' ARG . . . -98.52 127.56 44.5 Favored 'General case' 0 CA--C 1.509 -0.596 0 CA-C-O 120.811 0.338 . . . . 0.0 110.445 -178.555 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 10.6 mmmm -90.01 107.63 19.24 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 -178.621 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 109' ' ' ARG . . . . . 0.622 ' NH2' ' HB3' ' B' ' 107' ' ' ALA . 10.2 ptp85 -132.6 169.17 17.01 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.958 -173.46 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 110' ' ' SER . . . . . 0.426 ' O ' HG13 ' B' ' 114' ' ' ILE . 2.0 m -94.06 161.56 14.23 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.612 0.244 . . . . 0.0 111.096 -176.514 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 89.9 mtt180 -68.57 -43.78 75.84 Favored 'General case' 0 CA--C 1.513 -0.476 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -175.455 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -56.51 -30.34 62.9 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.649 0.738 . . . . 0.0 110.361 -179.433 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 113' ' ' ARG . . . . . 0.454 ' NH1' HG12 ' B' ' 73' ' ' ILE . 0.0 OUTLIER -79.68 -34.72 40.04 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.043 179.633 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 114' ' ' ILE . . . . . 0.55 HG23 HD11 ' B' ' 84' ' ' LEU . 98.8 mt -71.79 -43.62 69.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.566 178.398 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 115' ' ' VAL . . . . . 0.457 ' O ' HD23 ' B' ' 119' ' ' LEU . 25.5 t -52.9 -54.61 15.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.038 -0.983 . . . . 0.0 111.544 -179.641 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -58.95 -35.84 73.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.108 0.48 . . . . 0.0 110.63 178.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 117' ' ' LYS . . . . . 0.521 ' O ' HD13 ' B' ' 121' ' ' LEU . 14.8 tppt? -63.63 -36.33 83.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.926 -179.736 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 21.1 mt -64.63 -45.52 86.48 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 121.095 0.474 . . . . 0.0 110.424 176.49 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 119' ' ' LEU . . . . . 0.457 HD23 ' O ' ' B' ' 115' ' ' VAL . 4.4 mm? -62.87 -31.37 72.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.592 -179.137 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -74.2 -39.56 63.08 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.274 -0.875 . . . . 0.0 111.061 -178.456 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 121' ' ' LEU . . . . . 0.521 HD13 ' O ' ' B' ' 117' ' ' LYS . 9.8 mp -75.33 -25.83 58.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.108 0.48 . . . . 0.0 110.91 175.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 80.98 31.62 34.69 Favored Glycine 0 N--CA 1.444 -0.823 0 C-N-CA 120.728 -0.749 . . . . 0.0 111.455 -172.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 123' ' ' LEU . . . . . 0.441 ' HB3' ' CE1' ' B' ' 88' ' ' PHE . 69.3 mt -76.04 -24.21 55.17 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-O 121.849 0.833 . . . . 0.0 109.065 176.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 124' ' ' VAL . . . . . 0.544 HG21 HD21 ' B' ' 130' ' ' LEU . 34.1 m -137.63 174.84 10.5 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 114.219 -1.355 . . . . 0.0 109.397 175.859 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -114.31 -7.43 12.94 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.157 0.503 . . . . 0.0 110.632 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 126' ' ' GLU . . . . . 0.425 ' O ' HD21 ' B' ' 130' ' ' LEU . 13.8 pt-20 -171.15 174.53 4.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.376 -175.264 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 127' ' ' ARG . . . . . 0.68 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 12.0 mpt_? -77.84 -21.08 51.99 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.796 0.332 . . . . 0.0 111.522 -179.615 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 128' ' ' ARG . . . . . . . . . . . . . 6.0 ttm180 -58.48 -34.62 71.09 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.288 0.566 . . . . 0.0 111.053 -179.425 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -84.93 -5.79 59.34 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.393 -0.821 . . . . 0.0 112.632 -170.195 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 130' ' ' LEU . . . . . 0.68 ' HG ' ' O ' ' B' ' 127' ' ' ARG . 0.3 OUTLIER -82.81 -12.86 57.13 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.576 0.703 . . . . 0.0 109.585 -176.423 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 131' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -123.11 111.53 16.64 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 -179.147 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 132' ' ' LYS . . . . . 0.415 ' HG2' ' HA ' ' B' ' 95' ' ' ASP . 17.9 pttm -55.11 128.1 32.2 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.705 0.764 . . . . 0.0 110.769 -168.548 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -123.79 166.8 14.98 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.293 -0.867 . . . . 0.0 108.85 -177.511 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 134' ' ' ARG . . . . . 0.544 ' HD2' ' N ' ' B' ' 134' ' ' ARG . 0.5 OUTLIER -77.2 91.52 3.75 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.516 0.674 . . . . 0.0 109.58 173.475 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -67.25 169.74 8.27 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.63 -1.168 . . . . 0.0 110.887 -176.699 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 63.3 pttt -67.95 -172.47 0.29 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.071 175.014 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 137' ' ' LYS . . . . . 0.613 ' HE2' ' O ' ' B' ' 137' ' ' LYS . 0.0 OUTLIER -74.07 80.56 1.73 Allowed 'General case' 0 C--O 1.223 -0.337 0 CA-C-O 121.988 0.899 . . . . 0.0 110.197 178.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 12.7 tp -146.19 168.02 22.04 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 121.033 -1.042 . . . . 0.0 109.984 176.566 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . -63.66 141.93 58.58 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 173.205 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 14.9 m -53.24 128.33 27.68 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 177.255 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 141' ' ' SER . . . . . . . . . . . . . 47.7 t . . . . . 0 C--O 1.253 1.242 0 CA-C-O 118.726 -0.654 . . . . 0.0 109.649 -170.162 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' ASP . . . . . 0.441 ' HA ' ' HD3' ' B' ' 2' ' ' PRO . 1.3 m-20 . . . . . 0 N--CA 1.481 1.083 0 CA-C-O 120.554 0.216 . . . . 0.0 110.809 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 2' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' B' ' 1' ' ' ASP . 6.9 Cg_exo -74.69 -22.7 15.26 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.718 2.279 . . . . 0.0 112.066 177.124 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 12.8 p -83.92 43.94 0.96 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.921 -0.582 . . . . 0.0 112.471 -172.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 78.2 mtm180 -99.44 -165.43 1.23 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 176.39 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 20.7 tpp180 -41.25 108.36 0.09 Allowed 'General case' 0 N--CA 1.467 0.413 0 O-C-N 123.588 0.555 . . . . 0.0 111.993 -179.058 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.4 ' HA ' ' HD2' ' B' ' 7' ' ' PRO . . . -67.06 135.71 93.99 Favored Pre-proline 0 C--O 1.236 0.368 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.99 179.454 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 7' ' ' PRO . . . . . 0.435 ' HG2' HG12 ' B' ' 43' ' ' VAL . 5.6 Cg_endo -51.46 146.28 25.99 Favored 'Trans proline' 0 C--O 1.236 0.417 0 C-N-CA 123.502 2.801 . . . . 0.0 113.257 179.218 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 29.8 m -65.42 129.38 39.53 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.54 172.123 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' TRP . . . . . 0.452 ' CE3' ' HG2' ' B' ' 13' ' ' GLU . 90.6 m95 -53.12 119.52 4.81 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-O 121.239 0.542 . . . . 0.0 111.532 -175.739 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 6.9 m -95.78 162.26 24.78 Favored Pre-proline 0 C--N 1.318 -0.778 0 CA-C-N 115.213 -0.903 . . . . 0.0 109.924 -177.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -44.21 -55.72 2.98 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 123.263 2.642 . . . . 0.0 114.024 -176.517 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -69.91 -29.27 66.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.088 0.471 . . . . 0.0 110.673 -177.159 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.452 ' HG2' ' CE3' ' B' ' 9' ' ' TRP . 15.2 tt0 -71.48 -42.53 67.97 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.341 -176.403 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 14' ' ' GLU . . . . . 0.421 ' CG ' ' HB3' ' B' ' 9' ' ' TRP . 45.7 mt-10 -66.46 -36.18 82.13 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.416 175.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 15' ' ' ALA . . . . . 0.519 ' O ' ' HG2' ' B' ' 18' ' ' ARG . . . -69.21 -42.83 75.21 Favored 'General case' 0 C--O 1.218 -0.554 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.527 178.31 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.421 ' HA ' ' HB3' ' B' ' 19' ' ' GLU . 13.5 t-160 -60.66 -29.51 69.33 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.385 175.459 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.553 HD11 HG23 ' B' ' 50' ' ' ILE . 20.0 tp -63.24 -50.67 69.3 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.183 177.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 18' ' ' ARG . . . . . 0.713 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 33.5 ptt180 -70.46 -35.45 73.33 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 175.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 19' ' ' GLU . . . . . 0.421 ' HB3' ' HA ' ' B' ' 16' ' ' HIS . 17.5 tp10 -48.65 -51.9 25.94 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.595 0.712 . . . . 0.0 110.731 -178.728 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.451 HD11 ' CB ' ' B' ' 39' ' ' HIS . 0.3 OUTLIER -69.07 -36.14 77.3 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.618 -1.174 . . . . 0.0 111.579 -177.58 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -68.21 -52.2 36.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.135 0.493 . . . . 0.0 110.095 -179.628 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.713 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 45.6 mt -59.02 -24.71 63.05 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.319 -176.037 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -84.05 -57.04 3.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.732 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' ASN . . . . . 0.446 ' ND2' HD23 ' B' ' 20' ' ' LEU . 35.3 m-80 -88.58 7.04 35.25 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -170.588 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -69.53 -18.94 63.71 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 111.75 0.278 . . . . 0.0 111.75 -178.331 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -95.37 4.77 53.04 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.736 0.303 . . . . 0.0 111.339 -175.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 37.7 t -88.26 119.12 35.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 179.452 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -92.92 138.08 31.8 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.894 -173.349 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.02 9.04 83.13 Favored Glycine 0 CA--C 1.509 -0.296 0 N-CA-C 111.355 -0.698 . . . . 0.0 111.355 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -118.8 149.73 41.0 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.21 -0.495 . . . . 0.0 110.341 -176.524 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -82.24 104.0 12.24 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 172.702 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.542 ' O ' HG13 ' B' ' 36' ' ' ILE . 9.8 p -61.56 -32.19 52.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 178.514 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 33' ' ' VAL . . . . . 0.754 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 2.0 t -58.85 -57.25 12.06 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 CA-C-N 115.114 -0.948 . . . . 0.0 110.126 176.77 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.436 ' HA ' HD12 ' B' ' 37' ' ' LEU . 4.2 tm-20 -54.19 -40.28 67.43 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.769 -178.556 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.27 -50.43 73.63 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.28 178.267 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.542 HG13 ' O ' ' B' ' 32' ' ' VAL . 45.2 mt -65.8 -55.81 17.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.089 -178.774 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.754 ' HG ' ' O ' ' B' ' 33' ' ' VAL . 10.5 mt -49.59 -42.34 44.31 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 123.68 0.612 . . . . 0.0 111.326 -175.537 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.91 -35.49 16.47 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 -170.562 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 39' ' ' HIS . . . . . 0.451 ' CB ' HD11 ' B' ' 20' ' ' LEU . 51.0 m80 -78.12 -10.55 59.68 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.445 -0.502 . . . . 0.0 111.999 -173.177 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' B' ' 36' ' ' ILE . 0.7 OUTLIER -114.89 80.76 1.46 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.887 0.851 . . . . 0.0 110.967 170.548 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -82.33 39.4 0.59 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.785 0.802 . . . . 0.0 110.252 179.284 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 42' ' ' THR . . . . . 0.402 ' H ' ' C ' ' B' ' 40' ' ' LEU . 6.1 t -94.73 -10.87 30.31 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 114.821 -1.082 . . . . 0.0 109.143 176.815 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 43' ' ' VAL . . . . . 0.435 HG12 ' HG2' ' B' ' 7' ' ' PRO . 12.7 m -136.43 125.09 15.3 Favored Pre-proline 0 N--CA 1.452 -0.332 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.27 -178.315 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -76.66 89.13 1.31 Allowed 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 122.347 2.032 . . . . 0.0 110.374 169.75 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 14.7 mtt85 -136.27 170.17 16.46 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.093 0.473 . . . . 0.0 111.812 -173.495 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 14.5 t -109.0 -173.36 2.25 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.162 -178.638 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 47' ' ' ARG . . . . . 0.404 ' HD2' HD13 ' B' ' 37' ' ' LEU . 17.7 mmt180 -61.9 -49.76 74.91 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.879 -174.197 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt -54.97 -38.87 68.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.036 -0.984 . . . . 0.0 112.064 -175.458 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.74 -62.35 1.8 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.894 -175.711 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.553 HG23 HD11 ' B' ' 17' ' ' LEU . 1.9 mp -59.8 -47.91 89.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.09 -176.309 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.531 HD13 ' HG2' ' B' ' 67' ' ' GLN . 94.6 mt -53.6 -51.91 38.44 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.401 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.477 -178.17 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -57.08 -44.04 82.73 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.915 -174.45 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 53' ' ' HIS . . . . . 0.576 ' O ' ' HB2' ' B' ' 57' ' ' MET . 40.9 m-70 -71.51 -22.82 61.73 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.994 -176.532 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 54' ' ' LEU . . . . . 0.504 HD22 HD11 ' B' ' 59' ' ' LEU . 77.7 mt -74.64 -48.52 25.84 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.179 0.514 . . . . 0.0 110.053 179.394 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 9.0 m -73.78 -26.06 21.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.221 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -79.76 -25.24 41.07 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.031 178.001 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.576 ' HB2' ' O ' ' B' ' 53' ' ' HIS . 27.9 ttm -79.59 -9.03 59.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.214 0.531 . . . . 0.0 110.405 -178.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 86.41 -0.34 86.99 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.715 177.015 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.504 HD11 HD22 ' B' ' 54' ' ' LEU . 4.5 pp -87.12 -19.88 27.88 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.297 0.57 . . . . 0.0 110.095 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -121.41 169.89 10.18 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.329 -0.85 . . . . 0.0 109.536 174.464 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -88.41 -66.2 0.94 Allowed 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.637 -0.425 . . . . 0.0 111.415 -177.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 10.7 t -160.56 174.2 14.39 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.174 0.512 . . . . 0.0 111.576 -174.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 79.4 t -62.52 -25.07 37.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.247 179.045 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 64' ' ' LYS . . . . . 0.876 ' HA ' ' O ' ' B' ' 68' ' ' ARG . 51.1 mtmt -60.74 -25.69 66.64 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.786 -178.482 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -89.16 -8.19 54.16 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.786 -178.017 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -113.75 -46.24 3.05 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.061 -176.048 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 67' ' ' GLN . . . . . 0.531 ' HG2' HD13 ' B' ' 51' ' ' ILE . 30.7 mm-40 -114.0 -77.26 0.58 Allowed 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -172.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 68' ' ' ARG . . . . . 0.876 ' O ' ' HA ' ' B' ' 64' ' ' LYS . 15.6 ptt180 -130.17 148.78 52.04 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.534 -176.223 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 69' ' ' LYS . . . . . 0.404 ' N ' ' HD2' ' B' ' 69' ' ' LYS . 4.5 mptp? -78.65 64.19 3.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.629 0.728 . . . . 0.0 110.086 175.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -157.12 140.3 7.04 Favored Glycine 0 N--CA 1.438 -1.179 0 N-CA-C 110.6 -1.0 . . . . 0.0 110.6 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 10.5 p -81.12 -166.06 1.06 Allowed 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.201 0.524 . . . . 0.0 111.322 -176.175 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 8.1 p80 -74.0 -3.96 32.43 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.945 174.62 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 73' ' ' ILE . . . . . 0.403 HG23 ' HD1' ' B' ' 76' ' ' TRP . 0.5 OUTLIER -13.18 120.16 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 N-CA-C 115.231 1.567 . . . . 0.0 115.231 -157.34 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 74' ' ' VAL . . . . . 0.423 HG13 ' NE1' ' B' ' 76' ' ' TRP . 0.9 OUTLIER -54.57 142.93 7.59 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.632 0 CA-C-N 112.996 -1.911 . . . . 0.0 109.5 174.101 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.468 ' O ' HD12 ' B' ' 75' ' ' LEU . 0.4 OUTLIER -48.89 98.05 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.518 0.675 . . . . 0.0 112.805 -177.016 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 76' ' ' TRP . . . . . 0.423 ' NE1' HG13 ' B' ' 74' ' ' VAL . 87.1 m95 -102.2 109.71 21.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.411 176.723 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 77' ' ' THR . . . . . 0.415 ' OG1' ' HB2' ' B' ' 80' ' ' GLN . 60.8 p -109.97 -178.26 3.48 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.676 179.609 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -59.79 -40.05 96.16 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.043 177.214 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -80.88 -42.01 22.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.963 -0.118 . . . . 0.0 111.061 179.599 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 80' ' ' GLN . . . . . 0.415 ' HB2' ' OG1' ' B' ' 77' ' ' THR . 0.0 OUTLIER -59.59 -32.6 70.53 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.003 0.43 . . . . 0.0 109.874 179.422 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -64.98 -51.71 60.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.458 176.157 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 30.0 tp -60.73 -40.85 93.89 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.99 -178.572 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 83' ' ' GLU . . . . . 0.528 ' O ' ' HB2' ' B' ' 87' ' ' LEU . 5.6 mm-40 -59.07 -30.32 67.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.865 179.5 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 84' ' ' LEU . . . . . 0.452 HD23 ' NH1' ' B' ' 109' ' ' ARG . 3.0 tm? -73.67 -45.96 49.37 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.188 175.38 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -58.2 -55.91 28.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.249 -176.422 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 86' ' ' ARG . . . . . 0.485 ' O ' ' HB2' ' B' ' 90' ' ' GLU . 40.9 mtp180 -57.1 -48.08 79.48 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.362 0.601 . . . . 0.0 110.168 -178.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 87' ' ' LEU . . . . . 0.544 ' CD2' HG12 ' B' ' 101' ' ' ILE . 17.9 tp -51.68 -54.12 31.56 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.49 -1.232 . . . . 0.0 110.565 177.824 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.621 ' HA ' HG23 ' B' ' 97' ' ' VAL . 58.1 t80 -57.95 -67.31 0.35 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.164 -0.926 . . . . 0.0 112.818 179.671 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -61.14 -36.1 78.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.052 0.453 . . . . 0.0 112.207 -169.438 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 90' ' ' GLU . . . . . 0.485 ' HB2' ' O ' ' B' ' 86' ' ' ARG . 4.2 mm-40 -80.38 -19.9 45.28 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 -172.019 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -121.25 6.8 10.19 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -178.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 92' ' ' ARG . . . . . 0.601 ' HA ' ' CG1' ' B' ' 97' ' ' VAL . 5.0 ptm180 -76.03 -11.92 60.03 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -172.762 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -70.72 -27.09 63.71 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 121.413 0.625 . . . . 0.0 110.294 178.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 26.3 t -106.97 178.55 4.53 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.163 178.28 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 95' ' ' ASP . . . . . 0.481 ' HB2' ' HD3' ' B' ' 132' ' ' LYS . 20.8 t70 -63.27 -23.7 67.54 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.586 0.708 . . . . 0.0 110.031 175.239 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 96' ' ' ASP . . . . . 0.644 ' HB3' ' CG ' ' B' ' 100' ' ' HIS . 3.1 m-20 -89.4 43.82 1.17 Allowed 'General case' 0 N--CA 1.442 -0.872 0 CA-C-N 115.43 -0.805 . . . . 0.0 112.592 -167.509 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 97' ' ' VAL . . . . . 0.734 ' O ' HG13 ' B' ' 101' ' ' ILE . 0.6 OUTLIER -88.54 -65.55 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 C-N-CA 119.453 -0.899 . . . . 0.0 109.884 157.414 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 5.0 tp -72.88 -48.98 32.73 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 114.733 -1.121 . . . . 0.0 110.701 -167.553 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 99' ' ' GLY . . . . . 0.61 ' O ' ' HE3' ' B' ' 103' ' ' LYS . . . -59.95 -43.03 98.5 Favored Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.818 -0.706 . . . . 0.0 111.953 175.864 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 100' ' ' HIS . . . . . 0.644 ' CG ' ' HB3' ' B' ' 96' ' ' ASP . 2.2 m170 -70.38 -17.6 63.04 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 122.704 -0.292 . . . . 0.0 111.455 -177.722 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 101' ' ' ILE . . . . . 0.776 ' O ' HG22 ' B' ' 105' ' ' ILE . 65.1 mt -61.51 -65.31 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.817 0.818 . . . . 0.0 108.853 170.013 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.31 -14.36 62.84 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 114.737 -1.12 . . . . 0.0 111.74 -174.062 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 103' ' ' LYS . . . . . 0.61 ' HE3' ' O ' ' B' ' 99' ' ' GLY . 0.0 OUTLIER -94.07 -51.36 4.88 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.627 175.059 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -113.6 -4.66 13.45 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 114.653 1.353 . . . . 0.0 114.653 -163.754 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 105' ' ' ILE . . . . . 0.776 HG22 ' O ' ' B' ' 101' ' ' ILE . 10.5 tp -91.53 157.34 2.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 C-N-CA 118.901 -1.119 . . . . 0.0 110.039 177.1 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 12.3 t -55.76 -29.65 59.94 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.238 -0.892 . . . . 0.0 112.149 -177.601 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -106.92 127.88 53.82 Favored 'General case' 0 CA--C 1.514 -0.422 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.852 -176.094 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 108' ' ' LYS . . . . . 0.417 ' HD2' ' N ' ' B' ' 108' ' ' LYS . 0.0 OUTLIER -86.22 100.9 12.57 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.641 0.734 . . . . 0.0 109.631 177.447 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 109' ' ' ARG . . . . . 0.452 ' NH1' HD23 ' B' ' 84' ' ' LEU . 43.4 mtt180 -111.07 155.44 22.79 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 114.829 -1.078 . . . . 0.0 109.559 -176.058 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 110' ' ' SER . . . . . 0.518 ' O ' ' HG2' ' B' ' 113' ' ' ARG . 19.8 m -96.82 164.42 12.57 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 177.534 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 111' ' ' ARG . . . . . 0.459 ' O ' HG23 ' B' ' 115' ' ' VAL . 12.8 mmt85 -56.51 -53.06 61.93 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 -172.036 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -55.64 -42.67 75.33 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.662 0.615 . . . . 0.0 112.662 -173.584 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 113' ' ' ARG . . . . . 0.518 ' HG2' ' O ' ' B' ' 110' ' ' SER . 9.3 ptp180 -74.35 -27.32 60.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.824 0.345 . . . . 0.0 110.864 -175.132 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 91.4 mt -74.09 -48.06 39.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.5 0.666 . . . . 0.0 109.552 176.498 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 115' ' ' VAL . . . . . 0.544 ' O ' HD23 ' B' ' 119' ' ' LEU . 79.0 t -57.58 -49.5 80.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 114.662 -1.154 . . . . 0.0 110.863 179.213 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -57.34 -33.24 67.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.056 179.172 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 117' ' ' LYS . . . . . 0.414 ' O ' HD13 ' B' ' 121' ' ' LEU . 1.0 OUTLIER -73.93 -36.5 64.69 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.879 -177.444 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 118' ' ' LEU . . . . . 0.451 ' CD2' HD11 ' B' ' 84' ' ' LEU . 25.7 mt -62.13 -42.08 98.89 Favored 'General case' 0 CA--C 1.512 -0.481 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.288 176.68 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 119' ' ' LEU . . . . . 0.544 HD23 ' O ' ' B' ' 115' ' ' VAL . 4.5 mm? -66.54 -23.95 66.3 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.402 -179.695 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -83.81 -44.79 13.99 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.603 -178.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 121' ' ' LEU . . . . . 0.414 HD13 ' O ' ' B' ' 117' ' ' LYS . 10.2 mp -69.58 -24.54 63.7 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-O 121.378 0.609 . . . . 0.0 110.171 173.596 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 74.44 35.34 52.33 Favored Glycine 0 N--CA 1.439 -1.104 0 CA-C-N 115.125 -0.943 . . . . 0.0 111.603 -174.324 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 123' ' ' LEU . . . . . 0.604 ' HB3' ' CE2' ' B' ' 88' ' ' PHE . 57.8 mt -77.03 -23.33 52.13 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 121.794 0.807 . . . . 0.0 108.865 176.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 124' ' ' VAL . . . . . 0.496 HG21 ' CD2' ' B' ' 130' ' ' LEU . 35.5 m -136.83 166.02 26.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 114.389 -1.278 . . . . 0.0 109.276 173.341 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -108.44 -7.18 15.87 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-O 121.378 0.609 . . . . 0.0 109.75 177.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -166.03 175.68 8.33 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.645 -175.608 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 127' ' ' ARG . . . . . 0.64 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 0.2 OUTLIER -78.87 -25.68 43.96 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -176.289 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 128' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -53.05 -37.11 61.31 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -71.78 -12.72 61.44 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -172.534 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 130' ' ' LEU . . . . . 0.64 ' HG ' ' O ' ' B' ' 127' ' ' ARG . 0.1 OUTLIER -111.21 16.07 21.18 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.783 0.325 . . . . 0.0 111.332 -177.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 131' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -123.13 130.95 53.45 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 177.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 132' ' ' LYS . . . . . 0.481 ' HD3' ' HB2' ' B' ' 95' ' ' ASP . 18.9 pttm -47.23 97.57 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.895 0.855 . . . . 0.0 111.924 -179.703 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -126.71 106.37 9.33 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.17 -0.923 . . . . 0.0 108.554 178.694 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 134' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -76.78 80.52 3.39 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.791 0.805 . . . . 0.0 110.199 -176.051 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -105.6 161.54 14.28 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 114.369 -1.287 . . . . 0.0 109.31 178.149 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -72.21 176.34 5.28 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 177.305 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 137' ' ' LYS . . . . . 0.594 ' HD3' ' H ' ' B' ' 137' ' ' LYS . 0.0 OUTLIER -56.66 90.16 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.652 0 CA-C-O 122.175 0.988 . . . . 0.0 112.876 -170.896 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 51.0 tp -139.2 138.02 36.52 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.533 178.673 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . -86.63 -170.64 3.17 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.301 177.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 35.0 m -70.32 99.73 1.6 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.187 0.518 . . . . 0.0 110.344 178.168 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 141' ' ' SER . . . . . . . . . . . . . 9.3 t . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.553 -0.737 . . . . 0.0 109.663 -175.706 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 N--CA 1.482 1.138 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -46.97 -67.29 0.12 Allowed 'Trans proline' 0 C--N 1.357 0.987 0 C-N-CA 124.012 3.142 . . . . 0.0 115.537 -168.081 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 38.0 t -78.69 -56.08 4.69 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.941 0.4 . . . . 0.0 111.821 -171.071 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' ARG . . . . . 0.442 HH11 ' HD3' ' B' ' 4' ' ' ARG . 1.5 ptm180 -151.31 -167.2 2.73 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.025 -175.174 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -69.93 131.0 43.74 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 172.197 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.25 152.0 95.74 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.793 179.468 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -81.18 -178.89 4.63 Favored 'Trans proline' 0 N--CA 1.457 -0.649 0 C-N-CA 122.485 2.124 . . . . 0.0 111.722 178.07 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 5.2 p -99.18 130.99 45.52 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 120.962 0.411 . . . . 0.0 110.755 178.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' TRP . . . . . 0.424 ' HE1' ' NE ' ' B' ' 45' ' ' ARG . 81.4 m95 -68.96 144.94 54.01 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.256 -178.569 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 21.1 p -123.34 154.71 65.75 Favored Pre-proline 0 C--N 1.318 -0.781 0 CA-C-N 115.245 -0.888 . . . . 0.0 108.828 175.712 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_exo -46.77 -34.87 16.59 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.935 2.423 . . . . 0.0 113.029 179.009 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -63.37 -55.11 27.1 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.049 0.452 . . . . 0.0 110.786 175.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.4 ' CD ' HG21 ' B' ' 42' ' ' THR . 4.7 tp10 -68.77 -31.05 69.8 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.628 -174.285 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -71.61 -34.18 69.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.849 0.357 . . . . 0.0 110.58 177.647 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.23 -32.07 71.05 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.49 0.662 . . . . 0.0 109.927 174.044 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.532 ' HA ' ' HB3' ' B' ' 19' ' ' GLU . 19.0 t-160 -72.63 -25.72 61.4 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.112 -0.949 . . . . 0.0 110.105 175.07 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.512 HD11 HG23 ' B' ' 50' ' ' ILE . 28.4 tp -68.63 -49.64 57.59 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.671 177.291 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 18' ' ' ARG . . . . . 0.753 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 13.3 ptm180 -68.32 -32.63 72.88 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 173.694 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 19' ' ' GLU . . . . . 0.532 ' HB3' ' HA ' ' B' ' 16' ' ' HIS . 14.3 tp10 -49.97 -47.32 52.75 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-O 121.433 0.635 . . . . 0.0 110.254 175.569 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.439 HD11 ' HB2' ' B' ' 39' ' ' HIS . 0.2 OUTLIER -65.05 -43.14 93.28 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.436 179.825 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 91.1 t80 -70.24 -46.86 63.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.753 -174.455 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.753 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 48.0 mt -64.06 -25.67 68.21 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.105 -176.51 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.48 -44.35 14.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.822 0.344 . . . . 0.0 111.538 178.665 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' ASN . . . . . 0.52 ' O ' HG12 ' B' ' 27' ' ' VAL . 35.4 m-80 -92.72 7.51 43.25 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -173.002 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 14.8 ptmm? -84.86 -12.82 52.71 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.442 0.639 . . . . 0.0 109.463 172.201 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -81.25 -20.46 40.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.641 -178.568 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 27' ' ' VAL . . . . . 0.52 HG12 ' O ' ' B' ' 24' ' ' ASN . 12.9 p -89.4 138.73 18.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.275 -176.333 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -114.5 140.53 48.66 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.77 179.339 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.41 6.71 65.96 Favored Glycine 0 N--CA 1.449 -0.479 0 N-CA-C 111.315 -0.714 . . . . 0.0 111.315 -177.507 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -127.21 148.75 50.19 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.249 0.547 . . . . 0.0 111.053 -178.131 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -68.94 112.15 5.42 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.324 172.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.716 ' O ' HG13 ' B' ' 36' ' ' ILE . 8.4 p -69.91 -42.52 79.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 C-N-CA 119.725 -0.79 . . . . 0.0 109.429 174.791 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 33' ' ' VAL . . . . . 0.746 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 4.9 t -57.54 -59.84 2.82 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.695 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.567 -179.209 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.427 ' HA ' HD12 ' B' ' 37' ' ' LEU . 23.9 tt0 -67.88 -22.71 65.09 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.477 -174.805 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.3 -50.56 71.18 Favored 'General case' 0 CA--C 1.515 -0.4 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 172.39 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.716 HG13 ' O ' ' B' ' 32' ' ' VAL . 49.0 mt -60.9 -54.94 28.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 114.611 -1.177 . . . . 0.0 110.687 178.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.746 ' HG ' ' O ' ' B' ' 33' ' ' VAL . 7.2 mt -53.69 -29.98 41.44 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.033 -178.141 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.91 -41.98 12.1 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 -172.169 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 39' ' ' HIS . . . . . 0.439 ' HB2' HD11 ' B' ' 20' ' ' LEU . 55.6 m80 -74.47 -29.09 61.31 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-O 121.027 0.441 . . . . 0.0 110.348 -173.819 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 11.9 mt -79.75 81.89 5.94 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.474 178.556 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 46.2 m-80 -88.18 36.28 0.77 Allowed 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.679 0.752 . . . . 0.0 109.037 175.493 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 42' ' ' THR . . . . . 0.4 HG21 ' CD ' ' B' ' 13' ' ' GLU . 5.5 t -109.05 -30.21 8.18 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.775 -1.102 . . . . 0.0 110.312 177.609 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 43' ' ' VAL . . . . . 0.424 ' HB ' ' HG3' ' B' ' 45' ' ' ARG . 3.1 m -124.13 104.18 32.55 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-N 116.175 -0.466 . . . . 0.0 112.006 -174.134 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -73.85 89.66 0.99 Allowed 'Trans proline' 0 N--CA 1.46 -0.461 0 C-N-CA 122.245 1.964 . . . . 0.0 111.06 172.08 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.424 ' NE ' ' HE1' ' B' ' 9' ' ' TRP . 48.9 mtp85 -133.85 176.22 8.76 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 -177.616 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 46' ' ' THR . . . . . 0.71 HG22 ' NE2' ' B' ' 49' ' ' GLN . 5.4 t -86.46 175.47 8.36 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.258 -0.577 . . . . 0.0 110.083 178.703 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 47' ' ' ARG . . . . . 0.551 ' HD2' HD13 ' B' ' 37' ' ' LEU . 15.0 mmt180 -65.6 -41.88 92.3 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.222 0.534 . . . . 0.0 110.276 -173.688 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 25.5 ttpt -58.1 -34.28 70.02 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.184 -0.916 . . . . 0.0 112.438 178.603 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.71 ' NE2' HG22 ' B' ' 46' ' ' THR . 1.0 OUTLIER -59.96 -48.3 82.26 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -173.391 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.512 HG23 HD11 ' B' ' 17' ' ' LEU . 1.7 mp -61.52 -49.31 84.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.085 0.469 . . . . 0.0 110.282 176.177 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 77.2 mt -52.89 -44.45 49.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.082 -0.963 . . . . 0.0 111.401 -177.431 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -62.24 -46.95 86.55 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.457 -0.792 . . . . 0.0 112.489 -174.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 53' ' ' HIS . . . . . 0.499 ' O ' ' HB2' ' B' ' 57' ' ' MET . 90.2 m-70 -66.9 -23.02 65.94 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.484 -0.486 . . . . 0.0 111.307 -177.551 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 54' ' ' LEU . . . . . 0.506 HD22 HD11 ' B' ' 59' ' ' LEU . 90.2 mt -76.17 -52.35 10.26 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.128 0.489 . . . . 0.0 110.688 -177.473 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 55' ' ' VAL . . . . . 0.494 ' HA ' ' HB3' ' B' ' 60' ' ' ALA . 4.1 m -73.01 -24.61 21.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.58 -178.424 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -81.09 -18.56 46.14 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.017 177.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.545 ' SD ' ' HD2' ' B' ' 18' ' ' ARG . 30.8 ttm -88.58 -2.75 58.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.157 0.503 . . . . 0.0 110.367 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 79.56 6.65 88.93 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.919 -0.657 . . . . 0.0 113.063 176.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.506 HD11 HD22 ' B' ' 54' ' ' LEU . 4.2 pp -92.36 -20.51 21.0 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.189 0.519 . . . . 0.0 110.09 178.43 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 60' ' ' ALA . . . . . 0.494 ' HB3' ' HA ' ' B' ' 55' ' ' VAL . . . -114.92 162.2 17.25 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.572 174.285 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -77.9 -64.64 1.11 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.613 -178.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 77.7 p -156.67 175.94 13.39 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-O 121.06 0.457 . . . . 0.0 111.458 -178.497 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 47.3 t -65.95 -30.39 49.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.623 178.435 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 64' ' ' LYS . . . . . 0.462 ' HB2' ' NZ ' ' B' ' 64' ' ' LYS . 7.2 mtmp? -56.34 -39.6 73.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.45 -176.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -63.57 -23.19 67.28 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.641 -176.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 66' ' ' PHE . . . . . 0.525 ' CD1' HG22 ' B' ' 33' ' ' VAL . 3.2 m-85 -99.04 -48.17 4.97 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.747 177.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -144.7 104.75 4.06 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 114.864 -1.062 . . . . 0.0 110.347 -177.693 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 68' ' ' ARG . . . . . 0.419 ' HD2' ' HB3' ' B' ' 64' ' ' LYS . 17.7 mmm180 -64.51 83.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.686 176.029 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -145.41 -55.9 0.31 Allowed 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 172.72 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -66.77 100.75 0.58 Allowed Glycine 0 N--CA 1.445 -0.714 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.422 174.771 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 12.2 p -57.12 150.73 16.73 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.867 0.365 . . . . 0.0 111.641 -179.626 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 72' ' ' HIS . . . . . 0.466 ' NE2' ' HA ' ' B' ' 113' ' ' ARG . 4.0 p-80 -71.59 -19.02 62.19 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 174.507 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 73' ' ' ILE . . . . . 0.427 HG23 ' HD1' ' B' ' 76' ' ' TRP . 0.8 OUTLIER -64.19 118.51 6.54 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.072 0 CA-C-N 114.365 -1.289 . . . . 0.0 111.357 -178.028 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -54.13 139.17 13.03 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-N 113.686 -1.597 . . . . 0.0 109.134 166.334 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -49.99 98.68 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.2 0.524 . . . . 0.0 111.295 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 76' ' ' TRP . . . . . 0.427 ' HD1' HG23 ' B' ' 73' ' ' ILE . 43.9 m95 -92.5 110.43 21.84 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.808 -178.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 76.6 p -93.22 167.0 12.04 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.523 174.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.54 -33.28 66.29 Favored Glycine 0 N--CA 1.454 -0.158 0 C-N-CA 120.78 -0.724 . . . . 0.0 111.829 179.479 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 79' ' ' ASP . . . . . 0.538 ' O ' ' HG3' ' B' ' 83' ' ' GLU . 14.5 m-20 -62.07 -52.99 61.67 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.797 0.332 . . . . 0.0 110.132 176.024 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -60.25 -41.44 93.21 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.376 -179.222 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 81' ' ' GLU . . . . . 0.48 ' O ' ' HB2' ' B' ' 85' ' ' GLN . 62.0 mt-10 -59.35 -46.48 88.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.305 -0.407 . . . . 0.0 109.943 178.681 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 6.8 tt -63.64 -35.25 79.9 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.093 178.343 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 83' ' ' GLU . . . . . 0.538 ' HG3' ' O ' ' B' ' 79' ' ' ASP . 59.4 mt-10 -56.12 -59.47 4.88 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-O 121.055 0.455 . . . . 0.0 111.274 178.684 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 84' ' ' LEU . . . . . 0.404 HD23 ' O ' ' B' ' 84' ' ' LEU . 6.3 tt -81.47 -26.52 35.17 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.709 -171.317 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 85' ' ' GLN . . . . . 0.48 ' HB2' ' O ' ' B' ' 81' ' ' GLU . 0.7 OUTLIER -53.45 -61.87 2.02 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.255 0.55 . . . . 0.0 109.763 176.848 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 31.7 mtp180 -65.71 -40.05 91.83 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.41 -0.813 . . . . 0.0 111.216 -178.57 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 11.0 tp -63.83 -40.34 96.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.737 -176.618 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.596 ' O ' ' HB2' ' B' ' 92' ' ' ARG . 0.8 OUTLIER -57.41 -42.54 82.5 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.048 177.62 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -70.07 -38.79 75.84 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.901 0.381 . . . . 0.0 110.796 178.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -59.05 -50.07 75.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.599 -176.212 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 91' ' ' PHE . . . . . 0.47 ' HB2' HG23 ' B' ' 97' ' ' VAL . 79.6 m-85 -100.4 13.54 34.15 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.79 0.328 . . . . 0.0 111.394 -177.035 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 92' ' ' ARG . . . . . 0.596 ' HB2' ' O ' ' B' ' 88' ' ' PHE . 54.0 ttt180 -68.1 -15.65 63.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.626 0.727 . . . . 0.0 110.648 178.344 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -85.43 6.25 27.5 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.214 -177.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 77.2 p -110.57 174.57 5.8 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.273 176.454 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -62.44 -48.01 81.53 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.996 0.427 . . . . 0.0 111.355 -178.061 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -126.33 100.87 6.47 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.911 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 97' ' ' VAL . . . . . 0.507 ' O ' HG13 ' B' ' 101' ' ' ILE . 3.9 p -71.4 -36.97 63.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.153 -178.364 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 98' ' ' LEU . . . . . 0.54 ' HB2' ' NH1' ' B' ' 111' ' ' ARG . 5.7 mp -67.67 -32.5 73.21 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 121.124 -0.231 . . . . 0.0 111.225 -175.149 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 99' ' ' GLY . . . . . 0.475 ' O ' ' HD3' ' B' ' 103' ' ' LYS . . . -62.37 -38.86 96.97 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.639 -0.791 . . . . 0.0 111.512 175.588 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 32.4 m170 -79.3 -28.72 42.24 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 101' ' ' ILE . . . . . 0.507 HG13 ' O ' ' B' ' 97' ' ' VAL . 44.0 mt -58.5 -56.68 14.89 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.403 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.283 172.774 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 102' ' ' MET . . . . . 0.458 ' HA ' HG22 ' B' ' 105' ' ' ILE . 45.7 mtt -55.05 -39.25 68.98 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.227 0.454 . . . . 0.0 112.227 -176.267 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 103' ' ' LYS . . . . . 0.475 ' HD3' ' O ' ' B' ' 99' ' ' GLY . 1.7 mptm? -74.11 -24.45 59.46 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 111.957 0.354 . . . . 0.0 111.957 -179.629 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 -106.67 -4.71 19.22 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -177.4 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 105' ' ' ILE . . . . . 0.458 HG22 ' HA ' ' B' ' 102' ' ' MET . 10.5 tp -97.81 148.78 5.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.432 0.634 . . . . 0.0 111.233 -177.817 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 3.7 t -66.78 -35.54 80.32 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 114.868 -1.06 . . . . 0.0 111.664 -176.496 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 107' ' ' ALA . . . . . 0.43 ' H ' HG13 ' B' ' 105' ' ' ILE . . . -112.87 129.4 56.47 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 116.668 -0.242 . . . . 0.0 110.69 -178.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.32 101.09 6.14 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 176.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 56.9 mtt180 -109.08 124.4 50.72 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.473 -175.521 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 110' ' ' SER . . . . . 0.597 ' O ' ' HG2' ' B' ' 113' ' ' ARG . 1.4 m -56.05 155.7 6.17 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 123.687 0.617 . . . . 0.0 111.536 -177.305 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 111' ' ' ARG . . . . . 0.54 ' NH1' ' HB2' ' B' ' 98' ' ' LEU . 11.9 mmt180 -56.13 -47.43 78.16 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.991 -175.687 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -61.15 -29.17 69.62 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 -175.107 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 113' ' ' ARG . . . . . 0.597 ' HG2' ' O ' ' B' ' 110' ' ' SER . 19.3 ptp180 -87.02 -29.0 22.29 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.198 -0.601 . . . . 0.0 111.03 -178.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 59.2 mt -69.17 -55.29 15.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.778 0.323 . . . . 0.0 110.75 173.272 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 115' ' ' VAL . . . . . 0.534 ' O ' HD23 ' B' ' 119' ' ' LEU . 32.6 m -59.96 -36.83 69.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.855 -173.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -73.24 -30.94 63.81 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.41 179.335 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 44.7 tptt -68.12 -37.2 80.86 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.235 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 7.3 mp -60.33 -43.12 96.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.364 176.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 119' ' ' LEU . . . . . 0.534 HD23 ' O ' ' B' ' 115' ' ' VAL . 4.4 mm? -67.26 -27.9 67.59 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.384 0.612 . . . . 0.0 110.403 179.197 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -74.69 -42.2 58.86 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.651 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 10.6 mp -68.86 -24.77 64.39 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.857 173.714 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 78.03 35.16 35.52 Favored Glycine 0 N--CA 1.443 -0.862 0 C-N-CA 120.457 -0.878 . . . . 0.0 110.965 -173.558 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 62.0 mt -79.24 -30.89 43.41 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-O 121.241 0.544 . . . . 0.0 109.99 179.374 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 124' ' ' VAL . . . . . 0.499 HG21 ' CD2' ' B' ' 130' ' ' LEU . 23.9 m -134.24 168.17 24.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.7 -178.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 125' ' ' ALA . . . . . 0.471 ' HB2' ' H ' ' B' ' 141' ' ' SER . . . -81.95 -32.37 30.81 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.834 -1.075 . . . . 0.0 110.312 177.592 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 126' ' ' GLU . . . . . 0.432 ' HG3' ' HB3' ' B' ' 128' ' ' ARG . 7.8 pt-20 -169.47 177.98 4.41 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 114.457 -1.247 . . . . 0.0 108.768 -172.118 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 127' ' ' ARG . . . . . 0.599 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 12.2 mpt_? -65.63 -22.24 66.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.895 0.379 . . . . 0.0 111.043 -179.506 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 128' ' ' ARG . . . . . 0.432 ' HB3' ' HG3' ' B' ' 126' ' ' GLU . 8.7 ttm180 -59.0 -39.0 80.48 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.761 -179.131 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 129' ' ' GLU . . . . . 0.403 ' HB2' ' HB ' ' B' ' 124' ' ' VAL . 7.1 mm-40 -72.0 -8.93 57.37 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.982 -0.554 . . . . 0.0 112.401 -170.355 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 130' ' ' LEU . . . . . 0.599 ' HG ' ' O ' ' B' ' 127' ' ' ARG . 0.1 OUTLIER -107.67 12.23 27.72 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.715 0.293 . . . . 0.0 111.347 179.528 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 131' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -132.78 107.53 8.41 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 175.57 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 52.3 mttt -67.92 112.29 4.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.701 0.763 . . . . 0.0 111.953 -176.713 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -130.41 172.65 11.64 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 114.524 -1.216 . . . . 0.0 108.687 175.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 134' ' ' ARG . . . . . 0.596 ' O ' ' HG2' ' B' ' 134' ' ' ARG . 0.3 OUTLIER -65.91 80.73 0.08 Allowed 'General case' 0 CA--C 1.544 0.712 0 CA-C-O 122.748 1.261 . . . . 0.0 110.37 172.871 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -80.83 169.81 17.09 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 114.95 -1.023 . . . . 0.0 111.139 -177.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 52.1 pttt -89.81 -162.38 0.88 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.123 174.195 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 52.0 tptt -57.39 133.43 55.15 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 174.196 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 34.3 tp -72.79 80.95 1.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.17 0.509 . . . . 0.0 110.833 -177.663 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . -111.3 39.04 2.39 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.778 0.799 . . . . 0.0 108.845 173.066 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 5.4 p -130.51 167.49 18.57 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.467 -1.242 . . . . 0.0 108.931 178.327 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 141' ' ' SER . . . . . 0.471 ' H ' ' HB2' ' B' ' 125' ' ' ALA . 39.5 t . . . . . 0 C--O 1.247 0.96 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 -175.253 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 . . . . . 0 N--CA 1.482 1.165 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -63.86 -69.06 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 123.01 2.473 . . . . 0.0 113.05 -176.207 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 48.2 t -98.97 -55.01 2.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.182 0.515 . . . . 0.0 109.813 -179.002 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -131.37 -169.81 2.25 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 173.123 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 38.8 ttm180 -61.28 140.75 57.91 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.224 -0.59 . . . . 0.0 110.407 177.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.13 118.86 11.21 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 115.079 -0.964 . . . . 0.0 111.257 175.486 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -60.09 130.27 33.72 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 122.427 2.085 . . . . 0.0 111.469 174.19 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 11.2 m -71.58 123.89 23.47 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 176.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' TRP . . . . . 0.519 ' CH2' HG21 ' B' ' 43' ' ' VAL . 70.5 m95 -66.32 120.72 13.78 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.763 -178.018 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 36.6 p -79.42 158.54 73.79 Favored Pre-proline 0 C--N 1.322 -0.601 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 176.062 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_endo -51.18 -34.44 48.39 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.723 2.282 . . . . 0.0 112.133 177.448 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -74.91 -31.35 61.53 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.61 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.437 ' CD ' HG21 ' B' ' 42' ' ' THR . 6.5 tp10 -78.74 -35.99 43.89 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.366 -179.368 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -64.74 -37.65 88.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.938 0.399 . . . . 0.0 110.448 177.452 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.7 -32.02 72.38 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.085 0.469 . . . . 0.0 110.494 175.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.51 ' HA ' ' HB3' ' B' ' 19' ' ' GLU . 11.5 t-160 -74.7 -26.76 60.04 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.35 176.173 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.485 HD11 HG23 ' B' ' 50' ' ' ILE . 32.4 tp -67.59 -47.25 70.28 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 177.631 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 18' ' ' ARG . . . . . 0.763 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 30.7 ptt180 -73.26 -30.49 63.48 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 174.814 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 19' ' ' GLU . . . . . 0.51 ' HB3' ' HA ' ' B' ' 16' ' ' HIS . 10.3 tp10 -48.53 -51.87 25.39 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 121.665 0.745 . . . . 0.0 110.503 177.232 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.515 HD11 ' HB2' ' B' ' 39' ' ' HIS . 0.4 OUTLIER -73.69 -28.43 61.74 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.076 -0.966 . . . . 0.0 111.223 -177.047 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -70.55 -49.6 46.36 Favored 'General case' 0 CA--C 1.514 -0.43 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 178.048 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.763 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 39.3 mt -63.2 -20.34 65.33 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.623 -177.806 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.91 -43.29 22.46 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.837 179.194 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -109.25 3.18 21.43 Favored 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 -173.315 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 12.5 ptmm? -62.38 -35.92 80.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.691 0.281 . . . . 0.0 111.67 -177.514 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -94.6 10.69 33.8 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.179 -176.55 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 49.4 t -89.35 106.89 17.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 173.385 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -82.84 138.41 33.95 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.986 -173.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.64 -18.78 55.8 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.951 -0.642 . . . . 0.0 113.041 177.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -97.05 147.28 24.18 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.919 0.359 . . . . 0.0 110.822 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -63.28 100.15 0.23 Allowed 'General case' 0 CA--C 1.516 -0.327 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.443 168.603 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.511 ' O ' HG13 ' B' ' 36' ' ' ILE . 10.3 p -59.89 -36.74 68.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 120.901 0.381 . . . . 0.0 110.212 178.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 33' ' ' VAL . . . . . 0.795 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 8.0 p -73.35 -38.55 53.87 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.868 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.201 -174.21 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.448 ' HA ' HD11 ' B' ' 37' ' ' LEU . 24.4 mt-10 -69.38 -24.74 63.91 Favored 'General case' 0 CA--C 1.514 -0.404 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.469 179.295 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.89 -44.8 91.94 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.621 0.724 . . . . 0.0 109.054 170.445 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.59 ' O ' ' HG ' ' B' ' 40' ' ' LEU . 44.8 mt -72.45 -64.45 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.587 -177.247 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.795 ' HG ' ' O ' ' B' ' 33' ' ' VAL . 2.4 pp -65.74 -20.07 66.13 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 -170.124 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 38' ' ' ALA . . . . . 0.465 ' N ' HD12 ' B' ' 37' ' ' LEU . . . -90.0 -31.1 17.36 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.58 -0.448 . . . . 0.0 112.007 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 39' ' ' HIS . . . . . 0.515 ' HB2' HD11 ' B' ' 20' ' ' LEU . 33.3 m80 -80.79 -29.92 36.01 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.6 -0.44 . . . . 0.0 111.958 -175.031 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.59 ' HG ' ' O ' ' B' ' 36' ' ' ILE . 0.5 OUTLIER -89.6 86.49 6.74 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.743 0.782 . . . . 0.0 111.417 178.402 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -84.0 38.62 0.66 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.641 0.734 . . . . 0.0 110.188 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 42' ' ' THR . . . . . 0.437 HG21 ' CD ' ' B' ' 13' ' ' GLU . 2.3 t -104.82 -13.0 16.01 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 114.934 -1.03 . . . . 0.0 109.383 179.354 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 43' ' ' VAL . . . . . 0.519 HG21 ' CH2' ' B' ' 9' ' ' TRP . 2.4 m -133.14 100.45 14.2 Favored Pre-proline 0 N--CA 1.453 -0.315 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.738 -179.334 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -73.24 88.73 0.96 Allowed 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 121.987 1.792 . . . . 0.0 110.214 169.382 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' B' ' 45' ' ' ARG . 24.0 mtp180 -138.04 170.89 15.25 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.193 -176.011 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 46' ' ' THR . . . . . 0.532 HG22 ' HG2' ' B' ' 49' ' ' GLN . 5.8 t -74.59 155.78 37.48 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 176.694 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 47' ' ' ARG . . . . . 0.529 ' HD2' HD22 ' B' ' 37' ' ' LEU . 28.4 mmt180 -63.08 -31.99 73.25 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.015 0.436 . . . . 0.0 111.244 -172.329 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -56.41 -31.87 64.3 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.348 -0.842 . . . . 0.0 112.186 -179.576 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.532 ' HG2' HG22 ' B' ' 46' ' ' THR . 17.8 mm-40 -68.38 -40.0 81.55 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 111.898 0.332 . . . . 0.0 111.898 -172.861 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.485 HG23 HD11 ' B' ' 17' ' ' LEU . 2.0 mp -66.18 -47.73 83.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 177.711 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.511 HG12 HG21 ' B' ' 33' ' ' VAL . 87.4 mt -52.57 -50.58 39.67 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 CA-C-O 121.707 0.765 . . . . 0.0 110.51 177.116 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 52' ' ' HIS . . . . . 0.449 ' HB3' ' NE2' ' B' ' 56' ' ' GLN . 0.9 OUTLIER -60.21 -53.51 56.83 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.568 -1.196 . . . . 0.0 112.838 -172.896 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 53' ' ' HIS . . . . . 0.482 ' HB2' HD21 ' B' ' 17' ' ' LEU . 37.8 m-70 -59.97 -32.2 70.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.839 0.352 . . . . 0.0 111.78 -175.139 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 54' ' ' LEU . . . . . 0.527 HD22 HD11 ' B' ' 59' ' ' LEU . 80.1 mt -68.67 -45.82 70.72 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.208 -178.008 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 55' ' ' VAL . . . . . 0.417 HG11 ' C ' ' B' ' 62' ' ' SER . 5.4 m -75.93 -20.48 15.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.254 0.55 . . . . 0.0 109.813 178.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 56' ' ' GLN . . . . . 0.449 ' NE2' ' HB3' ' B' ' 52' ' ' HIS . 45.5 mt-30 -72.49 -35.35 68.15 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.915 175.723 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 66.6 mtm -82.51 6.28 17.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.451 179.633 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 69.63 4.18 44.84 Favored Glycine 0 C--N 1.33 0.2 0 C-N-CA 121.234 -0.507 . . . . 0.0 113.045 175.328 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.527 HD11 HD22 ' B' ' 54' ' ' LEU . 4.5 pp -82.6 -17.69 43.89 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.35 0.595 . . . . 0.0 109.61 -179.603 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 60' ' ' ALA . . . . . 0.408 ' HB3' HG12 ' B' ' 55' ' ' VAL . . . -115.61 170.2 8.62 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.379 174.781 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -75.7 -68.08 0.61 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.235 0.54 . . . . 0.0 110.449 179.093 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 62' ' ' SER . . . . . 0.417 ' C ' HG11 ' B' ' 55' ' ' VAL . 72.3 p -165.34 176.27 8.46 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 115.216 -0.902 . . . . 0.0 109.918 -178.836 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 73.8 t -62.98 -27.41 43.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.254 0.55 . . . . 0.0 110.151 178.653 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 30.7 mtmm -68.6 -24.49 64.59 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.476 -176.071 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -74.68 -31.92 62.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.299 0.571 . . . . 0.0 109.963 179.098 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -80.02 -47.51 14.8 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.442 176.09 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -148.72 96.76 2.63 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.284 -1.325 . . . . 0.0 109.555 -173.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 33.8 ttp180 -75.16 79.28 2.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.824 0.821 . . . . 0.0 110.419 -179.257 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 69' ' ' LYS . . . . . 0.47 ' O ' ' HG2' ' B' ' 69' ' ' LYS . 56.1 tttm -155.1 16.26 0.41 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.032 -1.44 . . . . 0.0 108.053 171.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -115.33 41.99 2.02 Favored Glycine 0 N--CA 1.44 -1.088 0 CA-C-N 115.165 -0.925 . . . . 0.0 112.436 -170.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 3.5 p -82.01 92.18 6.74 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-O 121.175 0.512 . . . . 0.0 110.116 174.56 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 28.6 p-80 -54.45 138.4 40.2 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 106.921 -1.511 . . . . 0.0 106.921 170.109 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 73' ' ' ILE . . . . . 0.462 HG23 ' HD1' ' B' ' 76' ' ' TRP . 0.4 OUTLIER -137.36 145.77 28.95 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.451 0 C-N-CA 118.879 -1.128 . . . . 0.0 113.557 -165.409 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 74' ' ' VAL . . . . . 0.425 HG12 ' HD2' ' B' ' 113' ' ' ARG . 0.7 OUTLIER -72.64 150.04 8.49 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.606 0 CA-C-N 113.838 -1.528 . . . . 0.0 108.407 177.268 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 20.8 tp -57.84 100.98 0.06 Allowed 'General case' 0 C--N 1.312 -1.048 0 CA-C-O 121.277 0.56 . . . . 0.0 111.071 -177.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 76' ' ' TRP . . . . . 0.599 ' CE2' ' HG3' ' B' ' 117' ' ' LYS . 92.5 m95 -100.75 110.09 22.16 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.416 178.483 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 76.0 p -103.91 178.87 4.43 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 173.181 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.3 -45.98 87.46 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.53 -0.843 . . . . 0.0 112.154 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -71.93 -40.62 68.62 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.862 0.363 . . . . 0.0 110.5 -179.492 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 80' ' ' GLN . . . . . 0.505 ' O ' ' HB3' ' B' ' 83' ' ' GLU . 0.0 OUTLIER -65.83 -37.3 85.85 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.254 -177.624 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 81' ' ' GLU . . . . . 0.461 ' HA ' ' CE3' ' B' ' 76' ' ' TRP . 36.1 tt0 -72.01 -35.62 69.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.99 0.424 . . . . 0.0 110.399 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 25.6 tp -61.59 -37.02 82.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.087 175.514 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 83' ' ' GLU . . . . . 0.505 ' HB3' ' O ' ' B' ' 80' ' ' GLN . 40.5 tt0 -53.29 -49.57 66.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.668 177.266 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 84' ' ' LEU . . . . . 0.417 ' HB2' ' CH2' ' B' ' 76' ' ' TRP . 53.5 tp -60.37 -48.53 81.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.484 178.011 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -54.71 -48.3 72.66 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.976 -178.267 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 86' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' B' ' 86' ' ' ARG . 44.0 mtp180 -66.93 -49.49 65.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.154 -178.711 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 12.5 tp -63.75 -40.5 96.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.096 -175.275 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.61 ' CE2' HD21 ' B' ' 118' ' ' LEU . 53.5 t80 -51.14 -48.47 61.79 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 122.683 0.393 . . . . 0.0 111.79 174.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -68.74 -24.25 64.43 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.371 0.605 . . . . 0.0 111.241 -178.105 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -77.21 -37.81 52.66 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.036 -0.984 . . . . 0.0 111.928 -176.2 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -107.36 4.41 26.37 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -175.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 92' ' ' ARG . . . . . 0.547 ' O ' ' HD3' ' B' ' 134' ' ' ARG . 16.5 ptm180 -73.79 -11.07 60.27 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.956 -0.297 . . . . 0.0 111.662 -176.452 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -74.39 -0.33 16.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.913 0.387 . . . . 0.0 110.99 176.471 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 9.4 t -105.32 175.05 5.62 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 177.094 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -76.93 -33.51 57.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.912 0.386 . . . . 0.0 111.179 -176.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -124.86 97.47 5.28 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 178.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 97' ' ' VAL . . . . . 0.602 ' O ' HG12 ' B' ' 101' ' ' ILE . 8.9 p -76.81 -36.88 27.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.071 -176.47 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 98' ' ' LEU . . . . . 0.57 ' O ' ' HG3' ' B' ' 102' ' ' MET . 1.0 OUTLIER -66.05 -42.0 90.07 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.107 -0.497 . . . . 0.0 112.113 -171.891 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -63.6 -31.73 81.78 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.556 -0.83 . . . . 0.0 112.137 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 13.1 m170 -75.23 -31.44 60.85 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 101' ' ' ILE . . . . . 0.665 ' O ' ' HB ' ' B' ' 105' ' ' ILE . 51.3 mm -59.61 -53.29 50.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.766 173.02 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 102' ' ' MET . . . . . 0.57 ' HG3' ' O ' ' B' ' 98' ' ' LEU . 27.5 mtp -67.09 -36.96 83.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.152 -173.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 5.3 tptm -80.08 -18.29 50.37 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.58 -172.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -117.85 10.88 13.35 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.838 0.351 . . . . 0.0 111.702 -177.275 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 105' ' ' ILE . . . . . 0.665 ' HB ' ' O ' ' B' ' 101' ' ' ILE . 10.7 tp -98.25 159.59 3.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.563 0.697 . . . . 0.0 111.964 -172.325 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 106' ' ' THR . . . . . 0.459 ' N ' HG13 ' B' ' 105' ' ' ILE . 3.7 t -79.58 -24.14 42.25 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.84 -1.073 . . . . 0.0 111.493 -179.307 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 107' ' ' ALA . . . . . 0.426 ' H ' HG13 ' B' ' 105' ' ' ILE . . . -102.2 169.96 8.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.257 -174.021 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 108' ' ' LYS . . . . . 0.466 ' HA ' ' HE2' ' B' ' 108' ' ' LYS . 6.2 mmpt? -92.48 102.86 15.32 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 171.67 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.84 122.6 46.83 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.615 -175.058 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 62.1 p -97.23 151.09 20.19 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 167.662 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -59.92 -33.97 72.59 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -171.412 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -54.38 -38.14 65.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.977 0.418 . . . . 0.0 111.239 177.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 113' ' ' ARG . . . . . 0.425 ' HD2' HG12 ' B' ' 74' ' ' VAL . 21.4 mtt180 -84.33 -29.36 26.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.142 0.496 . . . . 0.0 110.227 -176.248 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 114' ' ' ILE . . . . . 0.421 HD11 ' HG2' ' B' ' 102' ' ' MET . 85.6 mt -71.31 -47.74 58.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.63 -178.3 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 115' ' ' VAL . . . . . 0.476 ' O ' HD13 ' B' ' 119' ' ' LEU . 17.8 m -65.47 -36.84 78.63 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.542 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.331 -177.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -55.7 -45.63 77.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.897 0.38 . . . . 0.0 110.345 175.608 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 117' ' ' LYS . . . . . 0.599 ' HG3' ' CE2' ' B' ' 76' ' ' TRP . 37.7 mmtt -73.55 -37.16 65.67 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.66 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 118' ' ' LEU . . . . . 0.61 HD21 ' CE2' ' B' ' 88' ' ' PHE . 2.3 tp -62.18 -46.15 90.21 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.066 0.46 . . . . 0.0 110.854 -179.127 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 119' ' ' LEU . . . . . 0.476 HD13 ' O ' ' B' ' 115' ' ' VAL . 10.0 mp -71.8 -18.82 62.07 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.64 179.728 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -83.49 -35.34 24.95 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.298 -179.167 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 121' ' ' LEU . . . . . 0.535 HD13 ' O ' ' B' ' 117' ' ' LYS . 10.5 mp -69.77 -24.63 63.54 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.238 167.359 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 75.88 33.02 52.05 Favored Glycine 0 N--CA 1.444 -0.825 0 CA-C-N 114.76 -1.109 . . . . 0.0 111.899 -178.384 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 123' ' ' LEU . . . . . 0.532 HD13 ' CD1' ' B' ' 88' ' ' PHE . 90.0 mt -74.41 -25.16 59.29 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.934 0.873 . . . . 0.0 108.705 177.419 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 124' ' ' VAL . . . . . 0.512 HG21 ' CD2' ' B' ' 130' ' ' LEU . 24.0 m -141.88 163.23 19.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 113.964 -1.471 . . . . 0.0 109.367 175.821 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 125' ' ' ALA . . . . . 0.52 ' HB3' ' O ' ' B' ' 141' ' ' SER . . . -102.65 -13.17 17.22 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.114 0.483 . . . . 0.0 110.51 177.08 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 126' ' ' GLU . . . . . 0.478 ' OE2' ' HB3' ' B' ' 141' ' ' SER . 15.3 pt-20 -153.44 172.21 17.46 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.263 -179.093 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 127' ' ' ARG . . . . . 0.751 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 0.6 OUTLIER -79.59 -21.76 44.59 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.074 0.464 . . . . 0.0 111.029 -177.802 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 128' ' ' ARG . . . . . 0.409 ' HB3' ' OE1' ' B' ' 126' ' ' GLU . 28.6 ttm180 -56.1 -38.0 70.15 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -176.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -74.05 -17.41 60.97 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 -173.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 130' ' ' LEU . . . . . 0.751 ' HG ' ' O ' ' B' ' 127' ' ' ARG . 0.1 OUTLIER -92.54 -8.85 43.27 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.141 0.496 . . . . 0.0 110.595 -178.549 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 131' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -122.27 46.98 2.0 Allowed 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 107.667 -1.235 . . . . 0.0 107.667 173.731 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 18.7 tptm -123.5 147.94 46.73 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.625 -168.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 46.2 mtpt -74.32 151.02 39.88 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 171.314 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 134' ' ' ARG . . . . . 0.547 ' HD3' ' O ' ' B' ' 92' ' ' ARG . 0.0 OUTLIER -76.78 85.38 3.38 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.648 0.737 . . . . 0.0 111.287 -177.773 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 30.0 pt20 -75.94 139.84 41.79 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 114.99 -1.005 . . . . 0.0 110.044 175.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 136' ' ' LYS . . . . . 0.43 ' HD2' ' N ' ' B' ' 136' ' ' LYS . 0.4 OUTLIER -99.61 72.71 1.78 Allowed 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 174.299 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -149.08 146.21 27.61 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.902 -1.045 . . . . 0.0 109.339 -174.795 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 58.6 tp -73.38 93.78 1.98 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.91 0.386 . . . . 0.0 110.756 178.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . -124.95 141.43 52.13 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.697 178.485 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 47.6 m -127.74 84.88 2.29 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 174.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 141' ' ' SER . . . . . 0.52 ' O ' ' HB3' ' B' ' 125' ' ' ALA . 4.0 m . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.509 -0.758 . . . . 0.0 110.081 -176.154 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 . . . . . 0 N--CA 1.483 1.198 0 CA-C-O 120.436 0.16 . . . . 0.0 110.718 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -77.91 -4.05 14.09 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.704 2.27 . . . . 0.0 111.94 175.524 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 15.8 p -77.27 46.43 0.51 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.626 -0.715 . . . . 0.0 112.061 -176.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 26.0 mtm180 -85.84 -162.66 0.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 176.11 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 11.3 tpp180 -39.67 110.9 0.16 Allowed 'General case' 0 N--CA 1.466 0.36 0 O-C-N 123.385 0.428 . . . . 0.0 110.905 176.45 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.13 121.86 38.94 Favored Pre-proline 0 N--CA 1.452 -0.372 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.029 -178.223 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_exo -53.67 122.32 11.1 Favored 'Trans proline' 0 N--CA 1.463 -0.301 0 C-N-CA 122.778 2.319 . . . . 0.0 112.29 -179.127 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 35.6 m -61.83 114.77 3.52 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 173.721 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' TRP . . . . . 0.469 ' CH2' HG21 ' B' ' 43' ' ' VAL . 56.0 m95 -54.04 125.87 20.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.588 -173.49 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 10' ' ' SER . . . . . 0.524 ' OG ' ' HB2' ' B' ' 13' ' ' GLU . 15.8 p -75.15 159.93 81.42 Favored Pre-proline 0 C--N 1.318 -0.774 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.196 173.443 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -50.67 -43.97 43.05 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.532 2.155 . . . . 0.0 112.275 179.026 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -68.78 -27.59 66.02 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.707 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.524 ' HB2' ' OG ' ' B' ' 10' ' ' SER . 3.1 tt0 -74.09 -44.19 54.89 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.614 -175.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -68.73 -28.63 66.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.058 0.456 . . . . 0.0 109.924 175.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' ALA . . . . . 0.46 ' O ' ' HB2' ' B' ' 19' ' ' GLU . . . -64.78 -36.74 85.29 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.172 174.346 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.452 ' HA ' ' CB ' ' B' ' 19' ' ' GLU . 0.9 OUTLIER -76.3 -30.82 57.9 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.833 176.67 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.476 HD11 HG23 ' B' ' 50' ' ' ILE . 25.6 tp -63.58 -47.88 79.68 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 178.125 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 18' ' ' ARG . . . . . 0.778 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 10.5 ptm180 -70.97 -35.71 72.26 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 174.695 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 19' ' ' GLU . . . . . 0.46 ' HB2' ' O ' ' B' ' 15' ' ' ALA . 11.5 tp10 -49.1 -55.16 13.07 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.96 0.886 . . . . 0.0 110.589 -178.636 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.487 HD11 ' HB2' ' B' ' 39' ' ' HIS . 1.0 OUTLIER -66.54 -35.99 81.6 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.598 -1.183 . . . . 0.0 111.827 -178.885 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 21' ' ' TYR . . . . . 0.457 ' HA ' HD11 ' B' ' 36' ' ' ILE . 68.8 t80 -70.64 -39.41 73.69 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.617 -175.86 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.778 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 49.1 mt -64.63 -25.17 67.84 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.328 179.348 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.43 -56.68 3.61 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.975 178.521 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' ASN . . . . . 0.472 HD22 ' N ' ' B' ' 24' ' ' ASN . 0.9 OUTLIER -79.83 -1.57 39.56 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -170.946 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.08 -21.21 64.98 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 120.656 -0.417 . . . . 0.0 110.935 177.009 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -98.87 3.56 47.3 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.015 -179.678 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 50.0 t -97.86 107.23 19.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 176.4 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -101.48 148.54 25.07 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.173 -179.351 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.35 1.26 66.73 Favored Glycine 0 N--CA 1.445 -0.709 0 N-CA-C 110.256 -1.138 . . . . 0.0 110.256 -171.573 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 30' ' ' GLN . . . . . 0.406 ' HG2' ' N ' ' B' ' 31' ' ' ASP . 19.1 tt0 -129.6 149.33 51.41 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.948 -0.626 . . . . 0.0 109.614 177.821 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 31' ' ' ASP . . . . . 0.406 ' N ' ' HG2' ' B' ' 30' ' ' GLN . 9.6 t70 -70.34 129.27 38.87 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 172.564 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.67 ' O ' HG12 ' B' ' 36' ' ' ILE . 2.2 p -79.49 -45.33 23.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 C-N-CA 119.832 -0.747 . . . . 0.0 111.032 -178.291 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 33' ' ' VAL . . . . . 0.69 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 14.4 p -70.34 -42.89 78.72 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.401 0 C-N-CA 120.985 -0.286 . . . . 0.0 110.397 -174.147 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.591 ' HA ' HD11 ' B' ' 37' ' ' LEU . 1.3 tm-20 -62.79 -40.17 96.49 Favored 'General case' 0 N--CA 1.444 -0.753 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 178.441 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.24 -51.17 65.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.017 175.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.67 HG12 ' O ' ' B' ' 32' ' ' VAL . 11.7 mm -57.25 -63.61 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.177 -178.083 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.69 ' HG ' ' O ' ' B' ' 33' ' ' VAL . 2.1 pp -65.43 -20.75 66.5 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.506 -175.426 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.63 -48.12 64.86 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.914 0.388 . . . . 0.0 111.211 176.565 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 39' ' ' HIS . . . . . 0.487 ' HB2' HD11 ' B' ' 20' ' ' LEU . 69.2 m80 -80.7 -21.47 41.22 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.678 -175.342 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.478 HD22 ' CD1' ' B' ' 20' ' ' LEU . 0.4 OUTLIER -76.8 81.16 3.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.878 0.371 . . . . 0.0 110.164 172.266 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 -87.28 35.0 0.69 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.708 0.766 . . . . 0.0 109.334 177.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 8.0 t -108.34 -20.5 13.11 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.817 -179.454 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 43' ' ' VAL . . . . . 0.469 HG21 ' CH2' ' B' ' 9' ' ' TRP . 6.8 m -134.77 117.25 12.87 Favored Pre-proline 0 C--O 1.234 0.246 0 CA-C-O 121.016 0.436 . . . . 0.0 112.073 -175.207 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo -76.02 89.94 1.2 Allowed 'Trans proline' 0 N--CA 1.463 -0.318 0 C-N-CA 122.813 2.342 . . . . 0.0 110.567 169.047 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.42 ' CZ ' ' HE1' ' B' ' 9' ' ' TRP . 23.5 mtp180 -139.34 173.71 11.26 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.793 -174.021 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 15.2 t -96.99 168.21 10.61 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.835 -179.092 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 47' ' ' ARG . . . . . 0.545 ' HA ' ' CD2' ' B' ' 37' ' ' LEU . 0.3 OUTLIER -56.97 -44.13 82.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.45 -0.796 . . . . 0.0 111.538 -177.233 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 31.6 ttpt -53.85 -33.76 57.28 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.538 -0.755 . . . . 0.0 112.215 -176.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -74.82 -40.03 61.31 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.949 -171.769 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.505 HD13 ' HB3' ' B' ' 37' ' ' LEU . 2.5 mp -69.43 -45.27 79.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 177.112 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.649 HG22 HG12 ' B' ' 63' ' ' VAL . 81.1 mt -48.66 -47.23 15.52 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-O 121.563 0.697 . . . . 0.0 110.921 178.792 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 52' ' ' HIS . . . . . 0.469 ' HB3' ' NE2' ' B' ' 56' ' ' GLN . 3.0 m-70 -65.49 -53.39 43.23 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 114.919 -1.037 . . . . 0.0 112.894 -172.805 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 73.4 m-70 -58.38 -36.89 74.21 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 112.038 0.385 . . . . 0.0 112.038 -173.577 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 54' ' ' LEU . . . . . 0.601 HD22 HD11 ' B' ' 59' ' ' LEU . 79.5 mt -67.8 -43.33 79.93 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.219 -176.301 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 55' ' ' VAL . . . . . 0.454 HG11 ' C ' ' B' ' 62' ' ' SER . 13.3 m -78.84 -25.19 13.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.251 0.548 . . . . 0.0 109.984 178.014 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 56' ' ' GLN . . . . . 0.469 ' NE2' ' HB3' ' B' ' 52' ' ' HIS . 59.2 mt-30 -70.14 -32.73 70.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.752 175.518 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 73.6 mtm -82.23 3.23 28.24 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.982 177.474 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 67.95 10.17 58.26 Favored Glycine 0 N--CA 1.451 -0.345 0 CA-C-N 116.01 -0.541 . . . . 0.0 113.058 174.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.601 HD11 HD22 ' B' ' 54' ' ' LEU . 4.5 pp -91.69 -16.89 26.3 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.32 0.581 . . . . 0.0 109.701 179.476 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -118.97 153.95 33.82 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.279 175.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -64.64 -69.62 0.28 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.633 -176.187 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 62' ' ' SER . . . . . 0.486 ' HB2' ' NZ ' ' B' ' 64' ' ' LYS . 25.2 m -158.69 175.21 13.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.685 -0.688 . . . . 0.0 109.746 -176.572 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 63' ' ' VAL . . . . . 0.649 HG12 HG22 ' B' ' 51' ' ' ILE . 16.3 m -69.23 -24.31 27.75 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.617 0 CA-C-O 121.357 0.599 . . . . 0.0 111.554 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 64' ' ' LYS . . . . . 0.608 ' HA ' ' HB3' ' B' ' 68' ' ' ARG . 15.6 mtmm -44.62 -50.36 9.79 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.51 -1.223 . . . . 0.0 110.853 174.68 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -71.51 -6.84 43.55 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 113.498 -1.683 . . . . 0.0 111.062 -171.372 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -107.51 -51.53 2.9 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.142 177.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 67' ' ' GLN . . . . . 0.5 ' HG3' HG11 ' B' ' 33' ' ' VAL . 11.1 mt-30 -154.04 -20.43 0.13 Allowed 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 115.128 1.529 . . . . 0.0 115.128 -170.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 68' ' ' ARG . . . . . 0.608 ' HB3' ' HA ' ' B' ' 64' ' ' LYS . 0.6 OUTLIER -74.0 92.47 2.13 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 119.927 -0.709 . . . . 0.0 110.549 -174.687 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 69' ' ' LYS . . . . . 0.57 ' HD3' ' O ' ' B' ' 69' ' ' LYS . 13.3 tmtt? -71.27 -11.85 61.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.308 179.411 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -71.37 52.03 1.09 Allowed Glycine 0 N--CA 1.45 -0.392 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 168.057 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 71' ' ' THR . . . . . 0.55 HG23 ' HB3' ' B' ' 64' ' ' LYS . 0.2 OUTLIER -87.2 125.66 34.32 Favored 'General case' 0 N--CA 1.437 -1.107 0 CA-C-O 121.129 0.49 . . . . 0.0 111.105 -174.317 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 72' ' ' HIS . . . . . 0.414 ' CE1' ' HG2' ' B' ' 113' ' ' ARG . 0.5 OUTLIER -83.88 12.79 5.59 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.754 174.171 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 73' ' ' ILE . . . . . 0.452 ' HA ' ' HD2' ' B' ' 113' ' ' ARG . 1.7 mm -67.5 117.44 8.96 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.535 0 CA-C-O 121.999 0.904 . . . . 0.0 110.861 -178.799 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 3.1 m -77.84 141.51 15.43 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.351 0 CA-C-N 113.678 -1.601 . . . . 0.0 106.71 169.668 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.16 93.01 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 -171.535 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 76' ' ' TRP . . . . . 0.571 ' CZ3' ' HG2' ' B' ' 80' ' ' GLN . 60.2 m95 -92.5 108.97 20.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.271 0.557 . . . . 0.0 111.076 -174.647 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 56.9 p -106.9 166.49 10.56 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.421 176.097 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -55.66 -30.64 56.62 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.276 178.512 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -77.0 -46.66 23.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 122.923 -0.163 . . . . 0.0 111.013 177.467 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 80' ' ' GLN . . . . . 0.571 ' HG2' ' CZ3' ' B' ' 76' ' ' TRP . 29.6 tt0 -67.7 -36.66 81.06 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 120.504 -0.478 . . . . 0.0 111.01 -177.786 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -65.99 -37.28 85.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.928 0.394 . . . . 0.0 110.208 178.461 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 19.1 tp -70.51 -35.57 73.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.209 174.462 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 83' ' ' GLU . . . . . 0.484 ' CD ' HH21 ' B' ' 86' ' ' ARG . 6.1 tp10 -62.44 -39.21 92.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.105 179.729 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 84' ' ' LEU . . . . . 0.497 HD22 ' CH2' ' B' ' 76' ' ' TRP . 52.4 tp -63.79 -36.94 85.53 Favored 'General case' 0 C--O 1.225 -0.212 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.267 177.133 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 85' ' ' GLN . . . . . 0.492 ' O ' ' HG3' ' B' ' 89' ' ' GLU . 17.0 tt0 -62.3 -56.04 22.37 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.141 178.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 86' ' ' ARG . . . . . 0.484 HH21 ' CD ' ' B' ' 83' ' ' GLU . 20.1 mtm180 -56.63 -41.75 77.66 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.286 0.565 . . . . 0.0 110.831 179.613 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 87' ' ' LEU . . . . . 0.53 ' CD2' HG23 ' B' ' 101' ' ' ILE . 16.7 tp -64.91 -48.53 73.85 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.02 -179.761 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.554 ' CE1' HD21 ' B' ' 118' ' ' LEU . 2.1 t80 -62.58 -43.25 99.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.231 -177.148 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.508 ' O ' ' HG2' ' B' ' 92' ' ' ARG . 52.5 mt-10 -62.16 -37.85 86.79 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.281 0.563 . . . . 0.0 111.039 -178.715 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -79.21 -33.23 43.97 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.398 -0.819 . . . . 0.0 112.285 -174.526 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -90.4 -8.41 50.7 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -177.749 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 92' ' ' ARG . . . . . 0.508 ' HG2' ' O ' ' B' ' 89' ' ' GLU . 12.9 ptm180 -75.98 -11.19 59.91 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.33 0.586 . . . . 0.0 109.993 177.06 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -79.44 -1.34 36.89 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.786 173.083 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 23.2 m -104.94 -164.23 1.02 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.504 178.087 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 20.2 p-10 -84.01 -49.83 8.57 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -175.332 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 96' ' ' ASP . . . . . 0.544 ' O ' ' HD2' ' B' ' 100' ' ' HIS . 11.0 t0 -124.28 98.95 5.99 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 176.697 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 97' ' ' VAL . . . . . 0.566 HG13 HD12 ' B' ' 98' ' ' LEU . 7.4 p -56.58 -43.69 79.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.786 -175.187 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 98' ' ' LEU . . . . . 0.642 ' O ' ' HG3' ' B' ' 102' ' ' MET . 5.8 mp -76.72 -41.21 46.01 Favored 'General case' 0 CA--C 1.516 -0.349 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -172.478 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 99' ' ' GLY . . . . . 0.404 ' O ' ' HG2' ' B' ' 103' ' ' LYS . . . -56.57 -39.06 84.32 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.628 -0.796 . . . . 0.0 111.749 177.222 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 100' ' ' HIS . . . . . 0.544 ' HD2' ' O ' ' B' ' 96' ' ' ASP . 45.6 m-70 -76.46 -33.91 58.71 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 -179.717 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 101' ' ' ILE . . . . . 0.53 ' O ' HG22 ' B' ' 105' ' ' ILE . 18.9 mt -56.05 -59.27 2.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.741 172.691 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 102' ' ' MET . . . . . 0.642 ' HG3' ' O ' ' B' ' 98' ' ' LEU . 59.6 mtp -60.17 -30.19 69.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.783 -170.459 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 103' ' ' LYS . . . . . 0.404 ' HG2' ' O ' ' B' ' 99' ' ' GLY . 74.5 mmtt -92.39 -27.1 17.73 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 121.033 -0.267 . . . . 0.0 111.516 -175.249 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -93.79 -23.18 18.27 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -174.544 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 105' ' ' ILE . . . . . 0.53 HG22 ' O ' ' B' ' 101' ' ' ILE . 10.8 tp -90.04 154.83 3.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 121.64 0.734 . . . . 0.0 111.153 -174.132 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 106' ' ' THR . . . . . 0.439 ' N ' HG13 ' B' ' 105' ' ' ILE . 12.6 t -55.49 -29.24 58.44 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.257 -1.338 . . . . 0.0 112.682 -177.21 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 107' ' ' ALA . . . . . 0.428 ' O ' HG23 ' B' ' 105' ' ' ILE . . . -112.73 128.79 56.51 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.331 -177.202 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 108' ' ' LYS . . . . . 0.497 ' N ' ' HE3' ' B' ' 108' ' ' LYS . 0.2 OUTLIER -75.89 101.55 5.2 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 174.043 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 109' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' B' ' 109' ' ' ARG . 44.7 mtt180 -112.07 137.68 49.77 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.845 -176.189 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 15.3 m -75.28 159.63 31.28 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.265 -175.451 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 10.2 mmt180 -57.98 -51.21 70.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.098 -177.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -64.55 -22.11 66.88 Favored 'General case' 0 C--O 1.224 -0.24 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.169 -179.377 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 113' ' ' ARG . . . . . 0.568 ' NE ' ' HE1' ' B' ' 76' ' ' TRP . 0.0 OUTLIER -80.41 -48.99 12.06 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.49 0.662 . . . . 0.0 109.796 179.59 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 114' ' ' ILE . . . . . 0.451 HG23 HD11 ' B' ' 84' ' ' LEU . 89.4 mt -59.59 -48.94 85.54 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.007 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.439 -177.833 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 115' ' ' VAL . . . . . 0.695 ' O ' HD23 ' B' ' 119' ' ' LEU . 9.8 m -65.08 -37.48 80.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.574 -178.156 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -59.18 -37.3 77.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.377 0.608 . . . . 0.0 110.526 177.653 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 117' ' ' LYS . . . . . 0.536 ' HB2' HH21 ' B' ' 113' ' ' ARG . 15.4 tppt? -77.98 -37.46 47.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.592 -179.57 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 118' ' ' LEU . . . . . 0.554 HD21 ' CE1' ' B' ' 88' ' ' PHE . 0.9 OUTLIER -58.85 -42.61 89.76 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.418 0.628 . . . . 0.0 110.208 175.59 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 119' ' ' LEU . . . . . 0.695 HD23 ' O ' ' B' ' 115' ' ' VAL . 3.7 mm? -67.0 -26.99 67.07 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.648 -1.16 . . . . 0.0 110.919 178.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -80.52 -36.45 33.18 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.671 -177.669 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 10.9 mp -69.76 -24.18 63.49 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-O 121.34 0.591 . . . . 0.0 109.971 170.415 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 72.8 34.96 58.87 Favored Glycine 0 N--CA 1.441 -1.019 0 CA-C-N 115.116 -0.947 . . . . 0.0 111.487 -175.018 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 76.7 mt -71.75 -28.42 63.64 Favored 'General case' 0 CA--C 1.512 -0.482 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 175.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 124' ' ' VAL . . . . . 0.542 HG21 ' CD2' ' B' ' 130' ' ' LEU . 25.3 m -140.8 173.77 8.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 114.147 -1.388 . . . . 0.0 109.502 177.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -115.51 -10.92 11.85 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.385 0.612 . . . . 0.0 110.313 178.255 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 126' ' ' GLU . . . . . 0.504 ' OE2' ' HB3' ' B' ' 128' ' ' ARG . 9.3 pt-20 -150.49 167.89 25.82 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.364 -0.835 . . . . 0.0 109.664 -179.406 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 127' ' ' ARG . . . . . 0.723 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 0.9 OUTLIER -78.23 -21.79 49.41 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.983 0.42 . . . . 0.0 110.328 177.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 128' ' ' ARG . . . . . 0.504 ' HB3' ' OE2' ' B' ' 126' ' ' GLU . 66.8 ttt180 -63.8 -23.51 67.39 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.937 -175.779 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 129' ' ' GLU . . . . . 0.457 ' HG3' ' CG ' ' B' ' 126' ' ' GLU . 40.4 mt-10 -78.93 -25.49 43.67 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.211 0.449 . . . . 0.0 112.211 -175.543 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 130' ' ' LEU . . . . . 0.723 ' HG ' ' O ' ' B' ' 127' ' ' ARG . 0.0 OUTLIER -82.76 13.91 3.54 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.73 0.776 . . . . 0.0 110.222 -176.864 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 131' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -123.03 131.89 53.89 Favored 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 176.709 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 34.3 tptt -35.45 -128.77 0.0 OUTLIER 'General case' 0 CA--C 1.558 1.256 0 C-N-CA 126.682 1.993 . . . . 0.0 114.931 -171.677 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 133' ' ' LYS . . . . . 0.563 ' O ' ' HG3' ' B' ' 135' ' ' GLN . 40.3 mtmt -52.11 171.65 0.05 OUTLIER 'General case' 0 N--CA 1.47 0.571 0 O-C-N 121.338 -0.851 . . . . 0.0 111.184 -176.441 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 134' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.22 79.8 0.05 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.724 0.773 . . . . 0.0 111.538 -177.835 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 135' ' ' GLN . . . . . 0.563 ' HG3' ' O ' ' B' ' 133' ' ' LYS . 0.0 OUTLIER -78.34 168.69 19.43 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 114.365 -1.288 . . . . 0.0 112.48 176.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt -127.04 -149.12 0.4 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.808 -1.087 . . . . 0.0 108.362 174.614 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 137' ' ' LYS . . . . . 0.516 ' HG2' ' O ' ' B' ' 137' ' ' LYS . 0.0 OUTLIER -77.09 83.74 3.59 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 122.292 1.044 . . . . 0.0 111.122 178.052 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 138' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' B' ' 139' ' ' ALA . 2.6 pt? -141.7 172.72 12.3 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.286 -0.87 . . . . 0.0 108.903 174.601 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 139' ' ' ALA . . . . . 0.458 ' O ' ' HG ' ' B' ' 138' ' ' LEU . . . -62.22 163.3 8.44 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 175.567 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 18.3 t -57.49 105.86 0.28 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.989 0.423 . . . . 0.0 110.613 -177.589 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 141' ' ' SER . . . . . . . . . . . . . 4.9 t . . . . . 0 C--O 1.248 0.999 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 -176.046 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' ASP . . . . . 0.444 ' OD2' ' HA ' ' B' ' 45' ' ' ARG . 8.9 p-10 . . . . . 0 N--CA 1.48 1.027 0 CA-C-O 120.748 0.309 . . . . 0.0 110.315 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -96.92 15.74 0.75 Allowed 'Trans proline' 0 N--CA 1.45 -1.058 0 C-N-CA 123.074 2.516 . . . . 0.0 111.488 171.076 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' SER . . . . . 0.431 ' HB2' ' OD1' ' B' ' 1' ' ' ASP . 74.6 m -75.55 -55.57 5.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.619 -173.578 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 4' ' ' ARG . . . . . 0.493 ' HD3' ' HG2' ' B' ' 44' ' ' PRO . 9.4 ptm180 -151.67 -171.65 3.99 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 -179.748 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 4.8 ptp180 -77.76 166.04 23.44 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 172.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.634 ' HB1' ' NH2' ' B' ' 45' ' ' ARG . . . -71.49 123.0 88.7 Favored Pre-proline 0 C--N 1.316 -0.886 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.214 179.799 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 7' ' ' PRO . . . . . 0.496 ' HG2' ' HD2' ' B' ' 44' ' ' PRO . 37.3 Cg_exo -60.79 142.48 97.82 Favored 'Trans proline' 0 C--O 1.236 0.423 0 C-N-CA 122.902 2.402 . . . . 0.0 111.866 175.254 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 10.7 p -75.13 136.09 41.11 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.816 0.341 . . . . 0.0 110.686 178.689 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 83.6 m95 -80.79 122.95 27.81 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.922 -175.246 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 37.6 t -76.61 149.41 80.98 Favored Pre-proline 0 C--N 1.322 -0.629 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 169.518 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -53.71 -29.86 53.52 Favored 'Trans proline' 0 CA--C 1.531 0.346 0 C-N-CA 122.495 2.13 . . . . 0.0 111.549 176.663 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -70.04 -31.05 68.5 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.627 177.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -84.66 -38.08 20.23 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.738 -176.072 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -64.9 -33.33 75.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.203 0.525 . . . . 0.0 110.283 177.468 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.88 -33.15 71.85 Favored 'General case' 0 C--O 1.221 -0.418 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.953 174.457 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.482 ' HA ' ' HB3' ' B' ' 19' ' ' GLU . 12.4 t-160 -71.55 -28.32 63.78 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.326 175.806 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.517 HD11 HG23 ' B' ' 50' ' ' ILE . 20.1 tp -66.42 -46.91 74.94 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.517 177.382 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 18' ' ' ARG . . . . . 0.736 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 13.8 ptp180 -73.65 -29.91 62.62 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 175.745 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 19' ' ' GLU . . . . . 0.482 ' HB3' ' HA ' ' B' ' 16' ' ' HIS . 16.0 tp10 -52.74 -55.38 23.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.417 0.627 . . . . 0.0 110.455 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.47 ' HB3' HG12 ' B' ' 36' ' ' ILE . 0.3 OUTLIER -68.16 -27.62 66.58 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.06 -0.973 . . . . 0.0 111.006 -178.561 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -73.29 -52.82 12.55 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.297 179.207 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.736 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 52.4 mt -60.9 -25.47 66.76 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.468 -178.089 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.42 -56.68 4.58 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.172 176.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' ASN . . . . . 0.588 ' O ' HG22 ' B' ' 27' ' ' VAL . 18.2 m120 -97.54 20.23 12.12 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -171.115 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.589 ' HG3' ' OD1' ' B' ' 26' ' ' ASP . 12.8 ptmm? -79.93 -23.15 41.93 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 122.014 -0.428 . . . . 0.0 110.779 178.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 26' ' ' ASP . . . . . 0.589 ' OD1' ' HG3' ' B' ' 25' ' ' LYS . 1.4 m-20 -100.78 13.17 35.81 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.628 -174.616 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 27' ' ' VAL . . . . . 0.588 HG22 ' O ' ' B' ' 24' ' ' ASN . 22.1 m -90.94 141.21 14.75 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.791 0 CA-C-O 120.977 0.418 . . . . 0.0 110.079 177.512 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -120.91 136.61 54.91 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 -179.609 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.26 -0.83 69.1 Favored Glycine 0 N--CA 1.45 -0.387 0 N-CA-C 110.494 -1.042 . . . . 0.0 110.494 -172.342 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -136.81 148.79 47.38 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 114.633 -0.783 . . . . 0.0 109.577 179.384 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -86.17 136.1 33.33 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.176 173.522 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.623 ' O ' HG13 ' B' ' 36' ' ' ILE . 13.4 p -67.12 -37.32 79.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 172.696 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 33' ' ' VAL . . . . . 0.754 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 0.2 OUTLIER -56.63 -57.1 10.57 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 CA-C-N 115.052 -0.976 . . . . 0.0 110.495 178.872 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -53.25 -38.04 62.65 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.404 -177.125 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.52 -53.12 59.52 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.591 176.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.623 HG13 ' O ' ' B' ' 32' ' ' VAL . 36.2 mt -62.61 -59.47 4.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.128 -177.252 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.754 ' HG ' ' O ' ' B' ' 33' ' ' VAL . 8.8 mt -49.04 -41.6 35.56 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 123.922 0.764 . . . . 0.0 111.553 -173.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.79 -34.84 16.94 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.437 -0.801 . . . . 0.0 113.069 -170.565 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 37.6 m80 -78.11 -29.54 49.02 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -172.278 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' B' ' 36' ' ' ILE . 0.7 OUTLIER -93.32 81.07 4.42 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.893 0.854 . . . . 0.0 111.478 178.735 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 51.5 m-80 -81.41 42.94 0.7 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.704 177.49 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 42' ' ' THR . . . . . 0.472 HG22 ' HB2' ' B' ' 40' ' ' LEU . 3.5 t -105.63 -18.6 14.03 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 114.798 -1.092 . . . . 0.0 109.882 -178.706 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 43' ' ' VAL . . . . . 0.454 ' HB ' HH11 ' B' ' 45' ' ' ARG . 3.4 m -133.18 107.08 12.33 Favored Pre-proline 0 N--CA 1.454 -0.259 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.969 -178.307 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 44' ' ' PRO . . . . . 0.496 ' HD2' ' HG2' ' B' ' 7' ' ' PRO . 10.1 Cg_exo -65.88 99.98 0.41 Allowed 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 122.464 2.109 . . . . 0.0 111.048 169.771 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.634 ' NH2' ' HB1' ' B' ' 6' ' ' ALA . 4.7 ptm180 -156.29 169.83 23.66 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-O 120.922 0.392 . . . . 0.0 110.983 179.777 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 14.7 t -75.8 162.23 28.35 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.907 175.478 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 47' ' ' ARG . . . . . 0.521 ' N ' ' HD3' ' B' ' 47' ' ' ARG . 0.3 OUTLIER -74.18 -25.35 59.66 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.327 -172.646 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -55.18 -35.25 64.61 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.207 175.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -64.78 -43.5 93.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.248 -176.354 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.517 HG23 HD11 ' B' ' 17' ' ' LEU . 3.0 mp -61.87 -51.7 69.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.389 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.43 HG23 ' CG ' ' B' ' 66' ' ' PHE . 68.7 mt -56.71 -42.36 76.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.653 179.181 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -63.59 -46.17 87.07 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.202 -0.908 . . . . 0.0 112.607 -174.779 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 85.6 m-70 -68.67 -27.33 65.89 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 120.299 -0.56 . . . . 0.0 111.559 -178.629 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 54' ' ' LEU . . . . . 0.498 HD22 HD11 ' B' ' 59' ' ' LEU . 70.0 mt -72.82 -46.02 55.32 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.235 0.541 . . . . 0.0 110.501 -176.326 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 55' ' ' VAL . . . . . 0.516 HG11 ' C ' ' B' ' 62' ' ' SER . 20.3 m -74.5 -24.78 18.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 121.416 0.627 . . . . 0.0 110.414 179.634 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -83.72 -17.84 39.91 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.098 178.377 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 7.1 ttp -90.55 5.51 47.5 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.455 0.645 . . . . 0.0 110.288 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 77.41 2.41 79.56 Favored Glycine 0 N--CA 1.453 -0.232 0 CA-C-N 115.859 -0.61 . . . . 0.0 113.651 172.71 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.498 HD11 HD22 ' B' ' 54' ' ' LEU . 4.4 pp -90.55 -13.32 34.78 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.113 0.482 . . . . 0.0 110.256 178.377 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -137.14 166.2 24.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.862 174.617 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -83.74 -67.62 0.78 Allowed 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -176.575 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 62' ' ' SER . . . . . 0.516 ' C ' HG11 ' B' ' 55' ' ' VAL . 52.4 m -151.31 171.77 16.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.992 -173.307 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 38.7 t -58.02 -30.65 39.33 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.386 0 CA-C-O 121.484 0.659 . . . . 0.0 109.503 173.721 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 64' ' ' LYS . . . . . 0.53 ' HD3' ' N ' ' B' ' 72' ' ' HIS . 36.0 mttp -65.29 -21.76 66.76 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.77 -1.105 . . . . 0.0 111.025 -178.734 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -80.01 -31.09 39.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.38 0.61 . . . . 0.0 110.008 -179.628 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 66' ' ' PHE . . . . . 0.544 ' HD1' HG22 ' B' ' 33' ' ' VAL . 20.2 m-85 -84.22 -48.05 10.19 Favored 'General case' 0 CA--C 1.511 -0.53 0 CA-C-O 122.132 0.968 . . . . 0.0 109.931 174.571 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -134.67 85.25 2.17 Favored 'General case' 0 N--CA 1.439 -0.987 0 CA-C-N 113.617 -1.628 . . . . 0.0 110.033 -172.68 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 10.9 ptt180 -66.32 81.35 0.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 122.249 1.023 . . . . 0.0 110.609 174.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -111.81 -35.38 5.74 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.108 -1.405 . . . . 0.0 108.87 179.203 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -135.79 85.17 0.25 Allowed Glycine 0 N--CA 1.446 -0.697 0 N-CA-C 109.775 -1.33 . . . . 0.0 109.775 170.261 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.41 168.34 12.85 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 113.205 0.817 . . . . 0.0 113.205 -170.369 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 72' ' ' HIS . . . . . 0.53 ' N ' ' HD3' ' B' ' 64' ' ' LYS . 13.3 p-80 -79.51 6.3 10.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 114.923 -1.035 . . . . 0.0 109.109 175.113 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 73' ' ' ILE . . . . . 0.471 HD12 ' CD1' ' B' ' 76' ' ' TRP . 0.6 OUTLIER -81.97 126.81 39.97 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.998 0 CA-C-O 122.412 1.101 . . . . 0.0 112.69 -167.129 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -55.3 133.84 18.89 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.875 0 CA-C-N 112.946 -1.934 . . . . 0.0 109.673 166.271 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.54 ' O ' ' HG ' ' B' ' 75' ' ' LEU . 0.7 OUTLIER -49.02 108.15 0.17 Allowed 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 121.287 0.565 . . . . 0.0 111.15 -178.185 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 76' ' ' TRP . . . . . 0.549 ' CH2' HD22 ' B' ' 84' ' ' LEU . 64.4 m95 -101.64 112.32 24.86 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.298 -177.616 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 77' ' ' THR . . . . . 0.589 ' O ' ' HG3' ' B' ' 81' ' ' GLU . 73.9 p -97.99 153.93 18.04 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 172.34 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -53.39 -34.76 49.22 Favored Glycine 0 C--N 1.329 0.176 0 C-N-CA 121.004 -0.617 . . . . 0.0 112.247 -178.731 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -67.27 -50.11 61.74 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.497 -0.352 . . . . 0.0 110.746 176.386 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -65.66 -33.3 75.56 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.819 -178.291 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 81' ' ' GLU . . . . . 0.589 ' HG3' ' O ' ' B' ' 77' ' ' THR . 78.7 mt-10 -62.62 -40.43 96.93 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.079 0.466 . . . . 0.0 109.927 177.186 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 41.3 tp -66.73 -40.84 88.52 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.593 176.554 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -58.96 -36.52 74.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.48 177.6 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 84' ' ' LEU . . . . . 0.549 HD22 ' CH2' ' B' ' 76' ' ' TRP . 58.7 tp -64.56 -50.49 67.1 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.862 173.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -55.58 -53.52 55.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.837 -177.6 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 55.0 mtm180 -63.91 -40.33 96.23 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.731 -174.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 87' ' ' LEU . . . . . 0.492 ' O ' ' HB2' ' B' ' 90' ' ' GLU . 1.4 mp -73.13 -30.35 63.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.15 0.5 . . . . 0.0 110.613 178.346 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.608 ' O ' ' HB2' ' B' ' 92' ' ' ARG . 12.9 t80 -59.98 -36.2 76.65 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.257 174.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -80.14 -32.75 38.91 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.016 0.436 . . . . 0.0 110.695 177.331 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 90' ' ' GLU . . . . . 0.492 ' HB2' ' O ' ' B' ' 87' ' ' LEU . 12.5 mm-40 -49.39 -52.73 26.56 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.254 -0.884 . . . . 0.0 112.236 178.262 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -109.28 17.5 21.46 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.091 0.472 . . . . 0.0 111.13 -175.449 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 92' ' ' ARG . . . . . 0.608 ' HB2' ' O ' ' B' ' 88' ' ' PHE . 37.8 ttt85 -66.91 -27.63 67.65 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.354 -177.671 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -89.28 12.42 16.12 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.176 0.512 . . . . 0.0 110.816 -179.072 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 15.2 m -103.71 176.25 5.21 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 176.119 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -77.59 -26.95 51.13 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.591 -179.163 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 96' ' ' ASP . . . . . 0.47 ' HA ' ' HB2' ' B' ' 131' ' ' TYR . 21.2 t70 -135.91 105.94 6.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.042 0.448 . . . . 0.0 110.277 176.736 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 97' ' ' VAL . . . . . 0.616 ' O ' HG13 ' B' ' 101' ' ' ILE . 11.8 p -77.5 -40.18 28.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.388 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 98' ' ' LEU . . . . . 0.464 HD12 HG13 ' B' ' 97' ' ' VAL . 3.1 mp -68.81 -44.86 72.65 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 -167.73 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 99' ' ' GLY . . . . . 0.54 ' O ' ' HD3' ' B' ' 103' ' ' LYS . . . -62.63 -28.43 71.45 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.313 -0.946 . . . . 0.0 112.07 -178.074 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 55.7 m-70 -84.67 -27.54 27.02 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -178.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 101' ' ' ILE . . . . . 0.616 HG13 ' O ' ' B' ' 97' ' ' VAL . 78.2 mt -62.75 -54.12 37.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 171.811 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 102' ' ' MET . . . . . 0.416 ' HG3' ' O ' ' B' ' 98' ' ' LEU . 49.0 mtp -59.47 -37.08 77.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.858 -172.718 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 103' ' ' LYS . . . . . 0.54 ' HD3' ' O ' ' B' ' 99' ' ' GLY . 14.3 mptt -84.87 -16.56 40.84 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 -178.027 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -110.97 10.31 22.21 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -177.105 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 105' ' ' ILE . . . . . 0.456 HG23 ' O ' ' B' ' 107' ' ' ALA . 9.7 tp -113.7 154.16 15.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.158 0.504 . . . . 0.0 111.016 179.446 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 106' ' ' THR . . . . . 0.412 ' N ' HG13 ' B' ' 105' ' ' ILE . 13.4 t -61.35 -32.56 72.45 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.312 -0.858 . . . . 0.0 112.164 -176.579 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 107' ' ' ALA . . . . . 0.456 ' O ' HG23 ' B' ' 105' ' ' ILE . . . -111.54 127.0 55.58 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.998 -0.281 . . . . 0.0 110.432 179.308 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.65 101.44 11.52 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.33 0.586 . . . . 0.0 109.934 179.001 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 109' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' B' ' 109' ' ' ARG . 40.7 mtt180 -97.11 175.46 6.29 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.266 -176.14 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 46.9 t -100.9 155.97 17.64 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.441 177.409 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 22.2 mmt85 -58.76 -51.22 70.89 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.005 -178.06 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -64.82 -19.71 66.0 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.861 0.362 . . . . 0.0 111.923 -175.676 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -83.56 -36.26 24.11 Favored 'General case' 0 CA--C 1.511 -0.528 0 CA-C-O 121.188 0.518 . . . . 0.0 110.162 177.416 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 114' ' ' ILE . . . . . 0.452 HG21 ' HG ' ' B' ' 98' ' ' LEU . 74.0 mt -71.16 -49.03 51.43 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.779 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.659 -176.571 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 115' ' ' VAL . . . . . 0.546 ' O ' HD23 ' B' ' 119' ' ' LEU . 26.8 m -64.02 -38.77 83.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.686 179.587 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -58.56 -43.87 89.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.191 0.519 . . . . 0.0 110.48 177.356 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 117' ' ' LYS . . . . . 0.435 ' HD3' ' CD1' ' B' ' 76' ' ' TRP . 50.7 tptt -67.66 -40.2 84.5 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.882 179.754 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 2.6 mp -57.69 -47.31 82.7 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.847 0.356 . . . . 0.0 111.531 178.598 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 119' ' ' LEU . . . . . 0.546 HD23 ' O ' ' B' ' 115' ' ' VAL . 4.5 mm? -68.1 -26.2 65.7 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.765 -178.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -81.47 -38.2 26.74 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.321 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 96.6 mt -69.98 -24.18 63.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.364 175.089 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 78.56 34.9 34.11 Favored Glycine 0 N--CA 1.441 -0.988 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 -175.572 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 74.5 mt -79.19 -24.17 43.36 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.458 0.647 . . . . 0.0 109.383 177.662 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 124' ' ' VAL . . . . . 0.432 HG21 ' CD2' ' B' ' 130' ' ' LEU . 16.0 m -144.89 176.81 2.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 114.716 -1.129 . . . . 0.0 109.652 179.218 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -115.17 -18.16 11.21 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.198 0.523 . . . . 0.0 110.048 177.261 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 126' ' ' GLU . . . . . 0.433 ' CG ' ' HG3' ' B' ' 129' ' ' GLU . 14.4 pt-20 -147.32 170.43 17.33 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.206 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 127' ' ' ARG . . . . . 0.498 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 0.3 OUTLIER -77.84 -20.56 52.89 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 179.71 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 128' ' ' ARG . . . . . 0.473 ' HA ' ' HB3' ' B' ' 132' ' ' LYS . 13.5 ttm-85 -61.02 -43.93 98.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.949 0.405 . . . . 0.0 112.043 -178.005 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 129' ' ' GLU . . . . . 0.433 ' HG3' ' CG ' ' B' ' 126' ' ' GLU . 40.2 mt-10 -60.3 -29.56 68.92 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 -169.408 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 130' ' ' LEU . . . . . 0.498 ' HG ' ' O ' ' B' ' 127' ' ' ARG . 0.1 OUTLIER -84.6 -40.49 17.44 Favored 'General case' 0 C--N 1.314 -0.945 0 C-N-CA 120.725 -0.39 . . . . 0.0 111.418 -173.597 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 131' ' ' TYR . . . . . 0.47 ' HB2' ' HA ' ' B' ' 96' ' ' ASP . 0.0 OUTLIER -158.83 39.96 0.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 119.325 -0.95 . . . . 0.0 113.492 -174.882 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 132' ' ' LYS . . . . . 0.473 ' HB3' ' HA ' ' B' ' 128' ' ' ARG . 15.5 tppt? -134.43 72.09 1.46 Allowed 'General case' 0 C--N 1.311 -1.097 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 166.059 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 133' ' ' LYS . . . . . 0.413 ' HD2' ' N ' ' B' ' 133' ' ' LYS . 0.7 OUTLIER -75.04 78.39 2.22 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 122.01 0.91 . . . . 0.0 110.682 -177.186 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 134' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -130.27 78.15 1.83 Allowed 'General case' 0 N--CA 1.441 -0.885 0 CA-C-N 114.204 -1.362 . . . . 0.0 107.996 171.669 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -117.17 103.75 10.51 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 114.286 -1.325 . . . . 0.0 110.147 -178.174 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -91.37 49.29 1.58 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 122.997 1.379 . . . . 0.0 108.608 174.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 137' ' ' LYS . . . . . 0.539 ' HD3' ' N ' ' B' ' 138' ' ' LEU . 11.6 tmtt? -152.11 141.71 21.76 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 112.471 -2.15 . . . . 0.0 106.537 175.007 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 138' ' ' LEU . . . . . 0.539 ' N ' ' HD3' ' B' ' 137' ' ' LYS . 8.4 mp -71.37 90.42 0.95 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 118.146 0.43 . . . . 0.0 110.375 178.557 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . -125.11 -177.28 3.81 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.102 -176.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 25.2 t -112.88 83.65 1.86 Allowed 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 173.616 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 141' ' ' SER . . . . . . . . . . . . . 58.6 m . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.467 -0.778 . . . . 0.0 109.554 178.187 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' ASP . . . . . 0.493 ' HB2' ' HD3' ' B' ' 2' ' ' PRO . 0.9 OUTLIER . . . . . 0 N--CA 1.485 1.313 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 2' ' ' PRO . . . . . 0.493 ' HD3' ' HB2' ' B' ' 1' ' ' ASP . 85.8 Cg_endo -75.58 -2.66 12.85 Favored 'Trans proline' 0 C--N 1.358 1.049 0 C-N-CA 121.552 1.502 . . . . 0.0 113.126 -175.128 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 2.9 p -84.39 27.71 0.68 Allowed 'General case' 0 C--O 1.235 0.294 0 CA-C-O 122.041 0.924 . . . . 0.0 110.439 176.326 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -87.72 -161.35 0.7 Allowed 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.173 -1.376 . . . . 0.0 108.452 175.333 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' ARG . . . . . 0.402 ' HD2' ' C ' ' B' ' 5' ' ' ARG . 2.2 tmm_? -49.28 107.7 0.16 Allowed 'General case' 0 C--O 1.231 0.095 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 168.76 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.561 ' CB ' ' HB3' ' B' ' 45' ' ' ARG . . . -79.04 152.1 76.54 Favored Pre-proline 0 C--N 1.319 -0.751 0 CA-C-N 115.244 -0.889 . . . . 0.0 112.439 -163.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -43.73 134.34 7.55 Favored 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 124.482 3.455 . . . . 0.0 113.188 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 23.8 m -63.98 131.8 48.73 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.935 178.304 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 66.8 m95 -68.94 141.83 54.88 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.284 0.564 . . . . 0.0 111.796 -175.437 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 45.0 p -96.66 151.86 38.18 Favored Pre-proline 0 C--N 1.316 -0.879 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 168.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_exo -56.93 -28.98 80.43 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 121.92 1.747 . . . . 0.0 111.345 178.131 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -65.27 -42.87 92.8 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.361 176.671 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -75.72 -35.58 60.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.524 -178.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -67.15 -31.59 72.12 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.1 0.476 . . . . 0.0 110.204 176.259 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.41 -34.13 77.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.124 0.488 . . . . 0.0 110.158 173.582 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.52 ' HA ' ' CB ' ' B' ' 19' ' ' GLU . 12.0 t-160 -76.24 -27.84 56.92 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.349 176.371 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.529 HD11 HG23 ' B' ' 50' ' ' ILE . 27.4 tp -64.48 -47.93 77.14 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 176.379 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 18' ' ' ARG . . . . . 0.696 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 13.1 ptt180 -75.13 -27.57 59.83 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.001 175.692 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 19' ' ' GLU . . . . . 0.52 ' CB ' ' HA ' ' B' ' 16' ' ' HIS . 11.1 tp10 -50.37 -52.2 39.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.508 0.671 . . . . 0.0 110.038 176.428 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.447 ' HB3' HG12 ' B' ' 36' ' ' ILE . 0.3 OUTLIER -70.53 -32.72 70.29 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 114.889 -1.05 . . . . 0.0 111.437 -178.48 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 65.8 t80 -71.36 -51.55 23.54 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-O 120.823 0.344 . . . . 0.0 110.328 -178.596 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.696 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 49.1 mt -59.46 -28.54 67.07 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.4 -178.444 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.73 -46.26 38.6 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.731 179.522 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 -97.68 -2.32 41.65 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -171.624 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 14.6 ptmm? -71.71 -12.41 61.3 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.07 0.462 . . . . 0.0 110.961 -179.331 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -96.94 6.69 48.17 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.338 0.589 . . . . 0.0 110.488 -176.193 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 42.6 t -112.94 108.3 25.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.092 -176.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -80.28 141.21 35.74 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.841 -179.038 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 92.93 -19.34 52.51 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.521 178.165 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -91.88 144.13 25.79 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-O 120.959 0.409 . . . . 0.0 110.356 178.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -69.16 95.72 0.77 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.686 172.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.574 ' O ' HG13 ' B' ' 36' ' ' ILE . 9.8 p -62.32 -39.06 82.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 C-N-CA 120.605 -0.438 . . . . 0.0 109.973 179.325 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 33' ' ' VAL . . . . . 0.851 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 1.8 m -65.01 -49.18 80.9 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.542 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.104 -179.578 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 47.5 tp10 -66.37 -32.5 73.92 Favored 'General case' 0 CA--C 1.521 -0.138 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 -178.169 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.35 -49.5 74.2 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.696 173.369 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.574 HG13 ' O ' ' B' ' 32' ' ' VAL . 48.1 mt -68.39 -57.45 9.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.839 -179.519 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.851 ' HG ' ' O ' ' B' ' 33' ' ' VAL . 14.9 mt -48.09 -40.14 22.42 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 123.557 0.536 . . . . 0.0 111.466 -175.863 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -89.06 -40.29 13.06 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 -171.496 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 33.8 m80 -74.9 -24.98 58.61 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.726 -0.39 . . . . 0.0 111.904 -171.189 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' B' ' 36' ' ' ILE . 0.8 OUTLIER -99.04 80.64 2.49 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-O 121.948 0.88 . . . . 0.0 110.224 172.464 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -85.89 39.34 0.8 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 122.206 1.003 . . . . 0.0 108.876 -179.285 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 2.7 t -100.42 -17.26 17.28 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.226 -1.352 . . . . 0.0 109.756 -178.345 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 43' ' ' VAL . . . . . 0.515 ' HB ' HH11 ' B' ' 45' ' ' ARG . 2.8 m -131.56 105.69 14.39 Favored Pre-proline 0 N--CA 1.449 -0.503 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.521 -178.184 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 44' ' ' PRO . . . . . 0.485 ' HG2' ' HB2' ' B' ' 2' ' ' PRO . 7.1 Cg_exo -73.19 101.31 1.33 Allowed 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.758 2.305 . . . . 0.0 110.531 172.046 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.561 ' HB3' ' CB ' ' B' ' 6' ' ' ALA . 0.3 OUTLIER -155.97 176.76 12.23 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.173 0.511 . . . . 0.0 111.814 -174.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 46' ' ' THR . . . . . 0.538 ' OG1' ' HG3' ' B' ' 49' ' ' GLN . 71.3 p -75.3 147.38 40.24 Favored 'General case' 0 N--CA 1.441 -0.925 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.545 178.457 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 47' ' ' ARG . . . . . 0.456 ' HB3' HD13 ' B' ' 37' ' ' LEU . 8.8 mmt180 -68.68 -29.45 67.91 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.144 0.497 . . . . 0.0 109.795 -173.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -51.36 -35.99 41.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.064 -0.971 . . . . 0.0 111.487 176.359 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.538 ' HG3' ' OG1' ' B' ' 46' ' ' THR . 52.9 mt-30 -64.59 -45.12 88.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.263 -175.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.529 HG23 HD11 ' B' ' 17' ' ' LEU . 1.8 mp -56.24 -51.73 59.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 O-C-N 123.175 0.297 . . . . 0.0 110.791 -179.377 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.497 HG23 ' CD1' ' B' ' 66' ' ' PHE . 2.9 mp -59.51 -43.99 91.98 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 CA-C-O 121.176 0.513 . . . . 0.0 110.282 179.285 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -64.38 -45.52 87.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.614 -176.034 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 53' ' ' HIS . . . . . 0.444 ' HB2' ' CD2' ' B' ' 17' ' ' LEU . 74.8 m-70 -67.31 -26.55 66.58 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 120.741 -0.384 . . . . 0.0 111.065 -176.567 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 54' ' ' LEU . . . . . 0.468 HD22 HD11 ' B' ' 59' ' ' LEU . 65.1 mt -74.43 -46.92 36.86 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.723 -179.357 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 55' ' ' VAL . . . . . 0.437 HG11 ' C ' ' B' ' 62' ' ' SER . 21.1 m -73.07 -19.73 18.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.284 0.564 . . . . 0.0 110.539 178.433 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -84.05 -18.62 36.4 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.912 175.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 6.1 ttp -94.01 10.9 31.67 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.333 0.587 . . . . 0.0 111.1 -175.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 68.84 21.63 75.19 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.978 -0.629 . . . . 0.0 113.452 173.068 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.468 HD11 HD22 ' B' ' 54' ' ' LEU . 3.8 pp -109.57 -16.11 14.03 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.428 0.632 . . . . 0.0 109.829 176.38 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -134.99 150.19 50.3 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.112 -0.949 . . . . 0.0 109.131 175.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -78.11 -56.57 4.37 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -175.472 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 62' ' ' SER . . . . . 0.437 ' C ' HG11 ' B' ' 55' ' ' VAL . 13.2 m -149.21 172.07 15.44 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.797 -0.361 . . . . 0.0 111.548 -174.702 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 39.8 t -57.45 -28.16 30.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.933 179.541 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 64' ' ' LYS . . . . . 0.457 ' HD3' HG22 ' B' ' 71' ' ' THR . 28.8 mttm -61.54 -21.49 64.31 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.579 -176.619 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -66.9 -27.79 67.78 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.719 0.771 . . . . 0.0 109.995 178.372 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 66' ' ' PHE . . . . . 0.497 ' CD1' HG23 ' B' ' 51' ' ' ILE . 73.5 m-85 -110.43 -47.22 3.3 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.865 -1.061 . . . . 0.0 110.671 -177.05 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -127.92 83.6 2.17 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.096 -0.957 . . . . 0.0 110.16 -176.484 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 28.4 ttp180 -69.52 85.87 0.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.334 0.587 . . . . 0.0 110.379 175.331 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -109.74 -24.87 10.67 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.589 177.166 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -149.29 118.44 0.95 Allowed Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.38 -0.914 . . . . 0.0 112.724 -177.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 71' ' ' THR . . . . . 0.477 ' OG1' ' HB3' ' B' ' 110' ' ' SER . 1.9 p -124.19 100.36 6.67 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.149 0.499 . . . . 0.0 111.21 174.584 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 72' ' ' HIS . . . . . 0.781 ' CD2' ' HB ' ' B' ' 73' ' ' ILE . 31.3 p-80 -54.03 -40.66 67.28 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.141 -0.936 . . . . 0.0 108.507 170.13 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 73' ' ' ILE . . . . . 0.781 ' HB ' ' CD2' ' B' ' 72' ' ' HIS . 0.6 OUTLIER -165.93 149.31 1.92 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.713 0 CA-C-N 113.242 -1.799 . . . . 0.0 107.373 -174.631 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 27.9 m -109.91 149.92 12.73 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.522 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 168.35 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -48.51 95.57 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.687 0.756 . . . . 0.0 111.37 -172.365 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 76' ' ' TRP . . . . . 0.488 ' HE1' ' HD2' ' B' ' 113' ' ' ARG . 18.2 m95 -91.35 108.71 20.07 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.205 -171.864 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 65.1 p -112.16 168.09 9.89 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.431 176.451 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.51 -38.41 80.41 Favored Glycine 0 CA--C 1.517 0.176 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.226 178.197 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 79' ' ' ASP . . . . . 0.446 ' O ' ' HG3' ' B' ' 83' ' ' GLU . 3.0 m-20 -63.05 -57.05 11.96 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.935 0.398 . . . . 0.0 110.632 178.284 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 80' ' ' GLN . . . . . 0.462 ' HG3' HH21 ' B' ' 109' ' ' ARG . 24.8 tt0 -61.11 -34.97 75.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.574 -177.076 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -66.93 -44.16 81.4 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.159 178.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 3.2 tt -61.42 -31.54 71.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.779 177.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 83' ' ' GLU . . . . . 0.446 ' HG3' ' O ' ' B' ' 79' ' ' ASP . 53.5 mt-10 -61.48 -56.41 20.46 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.885 0.374 . . . . 0.0 110.644 176.515 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 45.6 tp -59.11 -40.81 86.52 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.252 -173.031 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -55.64 -52.11 64.92 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 123.344 0.403 . . . . 0.0 110.889 179.198 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 86' ' ' ARG . . . . . 0.44 ' O ' ' HG2' ' B' ' 90' ' ' GLU . 50.0 mtm105 -60.55 -54.95 39.31 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.811 -175.635 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 87' ' ' LEU . . . . . 0.4 ' HB3' HG12 ' B' ' 101' ' ' ILE . 7.5 mp -61.89 -38.05 86.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.54 -176.419 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.639 ' CE1' ' HB3' ' B' ' 123' ' ' LEU . 11.5 t80 -54.79 -45.03 74.26 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.323 178.395 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -71.55 -35.17 70.54 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.596 -0.274 . . . . 0.0 111.498 -176.735 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 90' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' B' ' 86' ' ' ARG . 8.7 pt-20 -88.42 -19.58 26.37 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.649 -0.421 . . . . 0.0 111.951 -171.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -104.6 8.67 35.38 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.206 0.527 . . . . 0.0 110.27 173.551 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 92' ' ' ARG . . . . . 0.456 ' HB2' ' O ' ' B' ' 88' ' ' PHE . 53.3 ttt180 -67.89 -22.7 65.08 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.838 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -95.65 10.76 35.68 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.162 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 94' ' ' SER . . . . . 0.4 ' O ' ' HE2' ' B' ' 132' ' ' LYS . 38.7 m -102.9 177.48 4.83 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.279 -177.779 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -67.68 -38.88 84.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.959 -174.678 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -143.84 108.3 4.83 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 173.094 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 97' ' ' VAL . . . . . 0.557 ' O ' HG13 ' B' ' 101' ' ' ILE . 3.5 p -63.31 -41.83 94.16 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.268 -175.223 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 98' ' ' LEU . . . . . 0.426 ' O ' ' HB ' ' B' ' 101' ' ' ILE . 4.7 mp -67.28 -43.14 82.54 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 111.706 0.261 . . . . 0.0 111.706 -175.647 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 99' ' ' GLY . . . . . 0.634 ' O ' ' HD3' ' B' ' 103' ' ' LYS . . . -63.26 -42.41 99.31 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 121.08 -0.581 . . . . 0.0 112.074 179.796 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 31.5 m-70 -71.2 -30.57 66.55 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 101' ' ' ILE . . . . . 0.557 HG13 ' O ' ' B' ' 97' ' ' VAL . 48.6 mt -57.64 -56.8 13.32 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.237 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.772 170.857 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 102' ' ' MET . . . . . 0.445 ' HE3' ' HG3' ' B' ' 111' ' ' ARG . 50.9 mtt -55.1 -40.95 71.02 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.094 -0.503 . . . . 0.0 112.349 -175.572 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 103' ' ' LYS . . . . . 0.634 ' HD3' ' O ' ' B' ' 99' ' ' GLY . 5.1 mptp? -69.94 -34.97 74.14 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.531 -178.676 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 48.6 m-80 -100.72 3.09 42.02 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -174.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 105' ' ' ILE . . . . . 0.49 HG13 ' H ' ' B' ' 107' ' ' ALA . 10.8 tp -104.09 148.09 9.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.156 0.503 . . . . 0.0 111.005 -178.159 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.0 -37.52 64.38 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.701 -178.723 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 107' ' ' ALA . . . . . 0.49 ' H ' HG13 ' B' ' 105' ' ' ILE . . . -86.88 128.71 35.05 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-O 120.789 0.328 . . . . 0.0 110.765 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.91 101.05 13.67 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 176.68 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 109' ' ' ARG . . . . . 0.462 HH21 ' HG3' ' B' ' 80' ' ' GLN . 33.2 mtt180 -111.82 166.01 11.57 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.438 -175.696 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 110' ' ' SER . . . . . 0.477 ' HB3' ' OG1' ' B' ' 71' ' ' THR . 42.8 t -98.68 154.58 17.85 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 176.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 111' ' ' ARG . . . . . 0.445 ' HG3' ' HE3' ' B' ' 102' ' ' MET . 73.6 mtt180 -63.75 -38.12 89.92 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -175.071 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -55.53 -38.4 69.19 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.362 0.601 . . . . 0.0 111.11 178.475 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 113' ' ' ARG . . . . . 0.694 ' O ' ' HD3' ' B' ' 113' ' ' ARG . 6.8 tpp180 -84.65 -24.12 29.19 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.506 -178.468 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 114' ' ' ILE . . . . . 0.475 HG13 ' O ' ' B' ' 110' ' ' SER . 87.2 mt -73.86 -49.78 32.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 122.036 -0.415 . . . . 0.0 110.837 175.312 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 115' ' ' VAL . . . . . 0.515 ' O ' HD23 ' B' ' 119' ' ' LEU . 30.1 m -62.28 -38.83 82.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.18 -175.843 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 116' ' ' ASP . . . . . 0.402 ' HB3' ' NH1' ' B' ' 113' ' ' ARG . 20.5 t70 -67.21 -34.8 78.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.209 0.528 . . . . 0.0 110.297 179.14 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 117' ' ' LYS . . . . . 0.409 ' HE3' HD11 ' B' ' 121' ' ' LEU . 52.3 tptt -70.03 -33.67 72.27 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.022 -176.577 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 118' ' ' LEU . . . . . 0.427 HD12 HD13 ' B' ' 130' ' ' LEU . 17.1 mt -60.63 -44.88 95.84 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 121.012 0.434 . . . . 0.0 110.289 176.662 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 119' ' ' LEU . . . . . 0.515 HD23 ' O ' ' B' ' 115' ' ' VAL . 4.4 mm? -60.89 -28.93 69.25 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.942 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.96 -38.93 52.34 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.031 -177.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 121' ' ' LEU . . . . . 0.409 HD11 ' HE3' ' B' ' 117' ' ' LYS . 11.0 mp -75.21 -25.34 58.09 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.764 175.658 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 80.55 32.8 32.92 Favored Glycine 0 N--CA 1.446 -0.682 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 -173.373 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 123' ' ' LEU . . . . . 0.639 ' HB3' ' CE1' ' B' ' 88' ' ' PHE . 78.4 mt -78.29 -24.41 46.74 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-O 121.748 0.785 . . . . 0.0 109.244 179.083 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 124' ' ' VAL . . . . . 0.487 HG11 HD22 ' B' ' 130' ' ' LEU . 29.0 m -137.13 168.01 22.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 114.229 -1.35 . . . . 0.0 109.839 175.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -99.48 -20.28 16.5 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 115.685 -0.688 . . . . 0.0 109.982 177.771 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 126' ' ' GLU . . . . . 0.457 ' OE2' ' HB3' ' B' ' 128' ' ' ARG . 16.5 pt-20 -160.21 177.99 10.1 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.05 -176.636 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 127' ' ' ARG . . . . . 0.658 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 0.3 OUTLIER -77.79 -25.65 49.12 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.741 0.305 . . . . 0.0 111.485 -179.337 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 128' ' ' ARG . . . . . 0.457 ' HB3' ' OE2' ' B' ' 126' ' ' GLU . 15.7 ttt180 -55.81 -35.54 66.44 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -178.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -69.1 -25.29 64.35 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.761 0.315 . . . . 0.0 111.657 -176.273 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 130' ' ' LEU . . . . . 0.658 ' HG ' ' O ' ' B' ' 127' ' ' ARG . 0.1 OUTLIER -99.93 14.44 30.46 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.343 0.592 . . . . 0.0 110.638 -178.482 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 131' ' ' TYR . . . . . 0.508 ' CE1' ' HB3' ' B' ' 127' ' ' ARG . 22.1 m-85 -120.66 92.68 3.82 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 107.377 -1.342 . . . . 0.0 107.377 172.62 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 132' ' ' LYS . . . . . 0.4 ' HE2' ' O ' ' B' ' 94' ' ' SER . 31.3 mmmt -54.3 105.45 0.15 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.6 -1.182 . . . . 0.0 113.674 -165.857 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -86.88 142.48 28.0 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 114.768 -1.106 . . . . 0.0 108.519 168.753 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 134' ' ' ARG . . . . . 0.511 ' O ' ' HG2' ' B' ' 134' ' ' ARG . 0.0 OUTLIER -68.8 77.66 0.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 122.284 1.04 . . . . 0.0 110.619 176.591 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -133.05 111.86 11.33 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.778 -1.101 . . . . 0.0 110.077 176.494 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 44.3 mttp -96.39 72.16 2.77 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.804 0.812 . . . . 0.0 110.233 175.028 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.74 152.75 37.14 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 114.058 -1.428 . . . . 0.0 107.388 176.556 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 87.7 mt -43.83 103.55 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.435 0 O-C-N 123.761 0.663 . . . . 0.0 110.816 -177.182 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . -79.59 81.95 5.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.83 -172.012 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 19.5 m -130.77 111.48 12.19 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.162 172.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 141' ' ' SER . . . . . . . . . . . . . 8.3 m . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.785 -0.626 . . . . 0.0 110.378 -176.858 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.201 0 CA-C-O 119.608 -0.234 . . . . 0.0 111.44 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -79.95 -43.29 0.13 Allowed 'Trans proline' 0 C--N 1.358 1.029 0 C-N-CA 121.537 1.491 . . . . 0.0 113.484 -173.343 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 35.3 t -109.14 -55.22 2.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.847 0.356 . . . . 0.0 110.98 -177.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -124.87 176.8 6.39 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 110.202 -0.296 . . . . 0.0 110.202 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 2.8 tmm_? -64.79 129.98 41.78 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 174.111 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.4 ' HB1' ' NH2' ' B' ' 45' ' ' ARG . . . -55.66 120.42 32.15 Favored Pre-proline 0 C--N 1.329 -0.301 0 O-C-N 123.519 0.512 . . . . 0.0 111.841 -175.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -58.98 178.64 0.25 Allowed 'Trans proline' 0 C--O 1.235 0.353 0 C-N-CA 123.23 2.62 . . . . 0.0 112.623 175.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 28.7 m -105.97 126.18 51.88 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.359 177.491 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' TRP . . . . . 0.506 ' CZ2' HG21 ' B' ' 43' ' ' VAL . 79.6 m95 -76.73 101.44 5.81 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.605 178.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 14.6 m -68.83 151.33 97.31 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.336 173.309 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -47.73 -41.3 31.34 Favored 'Trans proline' 0 CA--C 1.53 0.319 0 C-N-CA 122.821 2.348 . . . . 0.0 113.01 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' GLU . . . . . 0.444 ' H ' ' CD ' ' B' ' 12' ' ' GLU . 1.7 mp0 -60.4 -42.71 96.5 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.095 0.474 . . . . 0.0 110.387 177.856 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -71.51 -32.7 68.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.216 -176.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' GLU . . . . . 0.413 ' O ' ' HB3' ' B' ' 17' ' ' LEU . 54.2 mt-10 -71.21 -34.4 70.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.057 0.456 . . . . 0.0 110.188 175.698 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.09 -28.6 67.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.234 0.54 . . . . 0.0 109.923 174.512 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.533 ' O ' ' HB3' ' B' ' 19' ' ' GLU . 11.5 t-160 -79.02 -31.42 44.67 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.1 175.43 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.543 HD11 HG23 ' B' ' 50' ' ' ILE . 27.6 tp -58.61 -53.47 57.96 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.626 174.27 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 18' ' ' ARG . . . . . 0.752 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 14.9 ptm180 -71.32 -28.39 64.06 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.547 177.155 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 19' ' ' GLU . . . . . 0.533 ' HB3' ' O ' ' B' ' 16' ' ' HIS . 8.6 tp10 -51.8 -50.03 61.56 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 121.66 0.743 . . . . 0.0 110.373 176.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.472 HD11 ' CB ' ' B' ' 39' ' ' HIS . 0.4 OUTLIER -73.62 -31.81 63.73 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.888 -1.051 . . . . 0.0 110.494 -177.894 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 21' ' ' TYR . . . . . 0.405 ' O ' ' HB3' ' B' ' 25' ' ' LYS . 71.3 t80 -68.94 -52.02 33.56 Favored 'General case' 0 C--O 1.222 -0.345 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.97 -179.729 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.752 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 49.1 mt -65.02 -22.42 66.99 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.84 -176.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.85 -37.26 62.26 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.772 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 -119.69 15.09 12.71 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -174.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.405 ' HB3' ' O ' ' B' ' 21' ' ' TYR . 14.9 ptmm? -72.47 -22.98 60.99 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.001 0.429 . . . . 0.0 111.426 -175.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -95.18 4.68 53.33 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.268 -175.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 37.8 t -90.48 108.01 19.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 178.575 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -89.22 135.53 33.52 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.594 -177.021 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.95 19.65 39.17 Favored Glycine 0 N--CA 1.447 -0.586 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -176.453 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -132.54 145.31 51.04 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.279 -0.46 . . . . 0.0 110.429 -177.661 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -77.59 95.27 4.52 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 173.001 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.471 ' O ' HG13 ' B' ' 36' ' ' ILE . 4.3 p -63.44 -27.92 43.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 178.256 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 33' ' ' VAL . . . . . 0.783 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 1.7 t -62.73 -60.61 2.48 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.126 178.273 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.449 ' HA ' HD12 ' B' ' 37' ' ' LEU . 7.1 tp10 -61.0 -33.68 73.63 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.513 -177.235 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.46 -47.16 69.99 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.41 0.624 . . . . 0.0 109.599 175.316 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.479 ' O ' ' HG ' ' B' ' 40' ' ' LEU . 51.3 mt -74.14 -57.74 6.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.821 179.358 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.783 ' HG ' ' O ' ' B' ' 33' ' ' VAL . 13.1 mt -46.62 -45.14 18.86 Favored 'General case' 0 N--CA 1.474 0.775 0 O-C-N 123.825 0.703 . . . . 0.0 111.494 -175.248 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.85 -25.89 21.93 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.214 -0.903 . . . . 0.0 113.405 -169.246 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 39' ' ' HIS . . . . . 0.472 ' CB ' HD11 ' B' ' 20' ' ' LEU . 27.4 m80 -85.98 -26.19 25.6 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.512 0.56 . . . . 0.0 112.512 -174.519 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' B' ' 36' ' ' ILE . 0.6 OUTLIER -97.81 83.28 3.15 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.917 0.865 . . . . 0.0 111.459 176.91 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 52.8 m-80 -83.41 39.7 0.68 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.64 0.733 . . . . 0.0 110.065 178.447 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 3.0 t -99.41 -10.98 21.56 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 114.73 -1.123 . . . . 0.0 109.198 175.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 43' ' ' VAL . . . . . 0.506 HG21 ' CZ2' ' B' ' 9' ' ' TRP . 2.0 m -140.37 103.14 6.6 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 115.136 -0.938 . . . . 0.0 111.508 -177.633 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -77.53 95.46 1.07 Allowed 'Trans proline' 0 CA--C 1.532 0.375 0 C-N-CA 122.072 1.848 . . . . 0.0 111.42 172.637 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.48 ' CD ' ' HB ' ' B' ' 43' ' ' VAL . 6.0 ptm180 -153.05 168.86 24.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.075 0.464 . . . . 0.0 111.72 -176.622 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 11.6 t -65.88 160.81 22.53 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.747 -177.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 47' ' ' ARG . . . . . 0.448 ' HB3' HD13 ' B' ' 37' ' ' LEU . 9.7 mmm180 -72.81 -27.3 61.88 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.904 -171.688 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 30.3 ttpt -55.89 -37.14 68.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.141 -0.936 . . . . 0.0 111.47 176.436 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 69.9 mm-40 -58.89 -53.03 63.02 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.517 -175.739 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.543 HG23 HD11 ' B' ' 17' ' ' LEU . 3.0 mp -57.73 -49.07 82.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.849 -178.854 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.486 HG23 ' CG ' ' B' ' 66' ' ' PHE . 77.3 mt -56.02 -47.35 80.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 121.462 0.649 . . . . 0.0 110.584 178.366 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 52' ' ' HIS . . . . . 0.527 ' O ' ' HB2' ' B' ' 56' ' ' GLN . 0.1 OUTLIER -54.49 -50.26 68.21 Favored 'General case' 0 C--O 1.22 -0.499 0 CA-C-N 114.906 -1.043 . . . . 0.0 111.644 -178.521 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -73.23 -22.07 60.5 Favored 'General case' 0 C--N 1.314 -0.965 0 C-N-CA 120.961 -0.296 . . . . 0.0 111.542 -170.748 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 54' ' ' LEU . . . . . 0.447 ' CD2' HD11 ' B' ' 59' ' ' LEU . 79.7 mt -69.42 -50.47 45.51 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.806 0.336 . . . . 0.0 110.449 173.336 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 32.7 m -76.39 -31.16 20.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 C-N-CA 120.843 -0.343 . . . . 0.0 111.335 -178.64 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 56' ' ' GLN . . . . . 0.527 ' HB2' ' O ' ' B' ' 52' ' ' HIS . 0.0 OUTLIER -61.4 -29.77 70.14 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-O 121.021 0.438 . . . . 0.0 110.635 174.185 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 19.4 ttm -85.84 -0.64 55.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.957 -176.375 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 68.61 17.79 71.28 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 121.163 -0.541 . . . . 0.0 112.431 178.627 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.447 HD11 ' CD2' ' B' ' 54' ' ' LEU . 4.5 pp -99.09 -19.49 17.18 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.401 0.62 . . . . 0.0 109.889 178.495 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -115.99 168.27 10.23 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.172 -0.922 . . . . 0.0 109.791 175.203 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -81.35 -68.32 0.7 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.952 0.406 . . . . 0.0 111.764 -175.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 62' ' ' SER . . . . . 0.432 ' OG ' HG21 ' B' ' 73' ' ' ILE . 19.6 m -154.15 165.69 35.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.65 -173.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 63' ' ' VAL . . . . . 0.419 HG22 HG22 ' B' ' 51' ' ' ILE . 49.3 t -68.82 -24.93 29.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.327 177.268 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 64' ' ' LYS . . . . . 0.599 ' HG2' ' HA ' ' B' ' 69' ' ' LYS . 46.4 mtpt -61.22 -34.39 75.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.428 -0.806 . . . . 0.0 111.215 -179.374 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -66.3 -31.48 72.31 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.055 -179.247 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 66' ' ' PHE . . . . . 0.486 ' CG ' HG23 ' B' ' 51' ' ' ILE . 19.9 m-85 -91.96 -50.39 5.73 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.464 -176.045 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -152.04 -89.96 0.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.508 0.671 . . . . 0.0 112.645 -170.555 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 53.3 ttt180 -69.66 105.85 2.85 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 114.68 -1.145 . . . . 0.0 110.994 -173.291 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 69' ' ' LYS . . . . . 0.599 ' HA ' ' HG2' ' B' ' 64' ' ' LYS . 60.7 pttt -87.87 12.53 12.86 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.232 -177.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -79.07 36.6 1.93 Allowed Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 121.176 -0.535 . . . . 0.0 112.118 176.717 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 71' ' ' THR . . . . . 0.452 ' HB ' ' HD2' ' B' ' 64' ' ' LYS . 0.9 OUTLIER -103.86 146.47 28.61 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 177.865 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -74.37 5.68 4.37 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.585 -0.279 . . . . 0.0 110.924 -178.072 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 73' ' ' ILE . . . . . 0.432 HG21 ' OG ' ' B' ' 62' ' ' SER . 7.9 mm -64.93 129.61 29.24 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 CA-C-O 121.862 0.839 . . . . 0.0 111.639 -176.743 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 74' ' ' VAL . . . . . 0.42 HG13 ' HD3' ' B' ' 113' ' ' ARG . 26.9 m -78.95 152.13 4.95 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.02 0 CA-C-N 113.75 -1.568 . . . . 0.0 109.994 178.87 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -50.14 89.8 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.464 0.65 . . . . 0.0 111.862 179.741 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 76' ' ' TRP . . . . . 0.485 ' CH2' HD22 ' B' ' 84' ' ' LEU . 17.6 m95 -81.85 109.24 16.04 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 121.412 0.625 . . . . 0.0 110.018 -179.754 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 77' ' ' THR . . . . . 0.512 ' O ' ' HG3' ' B' ' 81' ' ' GLU . 70.9 p -114.35 163.25 15.55 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.374 179.745 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -54.83 -36.01 59.22 Favored Glycine 0 N--CA 1.453 -0.195 0 C-N-CA 120.512 -0.851 . . . . 0.0 111.924 177.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -72.26 -40.78 67.4 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.532 0.206 . . . . 0.0 110.749 178.531 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 80' ' ' GLN . . . . . 0.419 ' HG2' ' CZ3' ' B' ' 76' ' ' TRP . 25.5 tt0 -68.3 -36.52 79.47 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 121.052 -0.259 . . . . 0.0 110.796 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 81' ' ' GLU . . . . . 0.512 ' HG3' ' O ' ' B' ' 77' ' ' THR . 52.7 mt-10 -64.33 -35.14 79.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.957 0.408 . . . . 0.0 110.019 177.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 51.7 tp -68.43 -42.23 79.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.626 175.167 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -63.13 -27.56 69.46 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.667 177.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 84' ' ' LEU . . . . . 0.664 HD11 HG23 ' B' ' 114' ' ' ILE . 67.0 tp -72.37 -50.73 24.48 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 171.842 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -48.07 -61.36 2.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.936 179.101 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 72.8 mtt180 -56.86 -52.75 63.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.983 -174.756 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 7.3 mp -66.77 -32.82 74.35 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 111.871 0.323 . . . . 0.0 111.871 -176.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.508 ' CE1' ' HB3' ' B' ' 123' ' ' LEU . 13.8 t80 -55.34 -50.41 69.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.576 -0.283 . . . . 0.0 110.753 178.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -72.72 -38.02 67.6 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.841 0.353 . . . . 0.0 110.796 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -60.55 -28.33 68.35 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.547 -176.763 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -121.21 12.7 11.06 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.479 -179.639 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 92' ' ' ARG . . . . . 0.423 ' HB2' ' O ' ' B' ' 88' ' ' PHE . 53.9 ttt180 -66.64 -30.12 70.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.979 0.419 . . . . 0.0 111.094 -178.019 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -92.09 17.79 8.98 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.221 0.534 . . . . 0.0 111.013 -176.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 83.3 p -103.75 -178.87 3.79 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 176.071 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -66.48 -49.03 67.98 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.976 0.417 . . . . 0.0 110.884 -174.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -135.41 107.03 6.93 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.192 0.52 . . . . 0.0 109.825 177.192 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 97' ' ' VAL . . . . . 0.511 ' O ' HG13 ' B' ' 101' ' ' ILE . 2.9 p -65.32 -38.79 83.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.465 -0.789 . . . . 0.0 112.163 -175.055 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 98' ' ' LEU . . . . . 0.826 HD22 HG21 ' B' ' 114' ' ' ILE . 8.1 mt -69.82 -36.28 75.5 Favored 'General case' 0 N--CA 1.463 0.209 0 C-N-CA 120.501 -0.479 . . . . 0.0 111.26 -174.604 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 99' ' ' GLY . . . . . 0.704 ' O ' ' HD3' ' B' ' 103' ' ' LYS . . . -59.84 -44.46 97.04 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.625 -0.798 . . . . 0.0 111.416 175.753 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -68.77 -29.08 67.39 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 179.065 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 101' ' ' ILE . . . . . 0.607 ' O ' HG22 ' B' ' 105' ' ' ILE . 32.3 mt -60.41 -58.72 6.09 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.113 173.845 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 61.3 mtt -57.69 -37.59 73.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.666 0.269 . . . . 0.0 111.535 -176.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 103' ' ' LYS . . . . . 0.704 ' HD3' ' O ' ' B' ' 99' ' ' GLY . 4.6 mptp? -69.51 -34.01 73.66 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.491 -177.812 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -99.11 -25.88 14.39 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 -174.14 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 105' ' ' ILE . . . . . 0.607 HG22 ' O ' ' B' ' 101' ' ' ILE . 11.0 tp -91.5 149.86 3.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.579 0.704 . . . . 0.0 111.246 -177.113 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 8.1 t -69.72 -37.57 76.58 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-N 114.719 -1.128 . . . . 0.0 111.468 -177.478 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 107' ' ' ALA . . . . . 0.435 ' O ' HG23 ' B' ' 105' ' ' ILE . . . -84.86 128.62 34.7 Favored 'General case' 0 CA--C 1.513 -0.476 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -81.3 102.1 10.19 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 108.166 -1.049 . . . . 0.0 108.166 176.229 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 109' ' ' ARG . . . . . 0.542 ' HA ' HH11 ' B' ' 113' ' ' ARG . 47.8 mtt180 -107.26 118.59 37.1 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.394 -176.393 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 110' ' ' SER . . . . . 0.696 ' H ' ' NH1' ' B' ' 113' ' ' ARG . 27.1 t -64.45 158.31 24.2 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.037 178.638 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 111' ' ' ARG . . . . . 0.545 HH21 ' HB2' ' B' ' 98' ' ' LEU . 39.8 mtp180 -71.84 -35.44 69.88 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.132 -0.486 . . . . 0.0 112.203 -166.104 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 112' ' ' ALA . . . . . 0.443 ' O ' ' HB2' ' B' ' 116' ' ' ASP . . . -62.64 -29.57 70.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.966 0.412 . . . . 0.0 110.432 176.521 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 113' ' ' ARG . . . . . 0.696 ' NH1' ' H ' ' B' ' 110' ' ' SER . 55.4 mtt180 -71.06 -41.53 70.61 Favored 'General case' 0 CA--C 1.515 -0.383 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 179.204 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 114' ' ' ILE . . . . . 0.826 HG21 HD22 ' B' ' 98' ' ' LEU . 71.8 mt -70.66 -58.16 6.03 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.687 0 CA-C-N 114.652 -1.158 . . . . 0.0 111.833 -176.641 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 115' ' ' VAL . . . . . 0.601 ' O ' HD23 ' B' ' 119' ' ' LEU . 16.8 m -62.36 -34.04 62.26 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.642 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.64 -170.432 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 116' ' ' ASP . . . . . 0.443 ' HB2' ' O ' ' B' ' 112' ' ' ALA . 0.1 OUTLIER -73.62 -32.7 64.2 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.509 178.25 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 117' ' ' LYS . . . . . 0.473 ' HA ' ' HD2' ' B' ' 117' ' ' LYS . 11.7 tptm -79.29 -26.52 42.27 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 120.23 -0.588 . . . . 0.0 110.502 -177.022 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 118' ' ' LEU . . . . . 0.446 ' HB3' HG22 ' B' ' 124' ' ' VAL . 10.2 mt -60.82 -49.09 78.89 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-O 120.913 0.387 . . . . 0.0 110.74 174.303 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 119' ' ' LEU . . . . . 0.601 HD23 ' O ' ' B' ' 115' ' ' VAL . 4.6 mm? -59.51 -31.57 69.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.501 178.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -73.01 -46.13 53.81 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.968 -178.591 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 121' ' ' LEU . . . . . 0.456 HD13 ' O ' ' B' ' 117' ' ' LYS . 10.8 mp -66.04 -24.71 66.79 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.119 176.096 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 80.74 31.31 36.55 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.662 -0.78 . . . . 0.0 111.321 -174.309 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 123' ' ' LEU . . . . . 0.508 ' HB3' ' CE1' ' B' ' 88' ' ' PHE . 51.3 mt -80.39 -24.02 40.0 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-O 121.766 0.793 . . . . 0.0 109.364 179.129 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 124' ' ' VAL . . . . . 0.446 HG22 ' HB3' ' B' ' 118' ' ' LEU . 19.6 m -139.55 172.78 12.32 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-N 114.551 -1.204 . . . . 0.0 110.014 176.003 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -112.77 -17.94 12.42 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.312 178.004 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -149.27 168.25 23.84 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.642 178.718 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 127' ' ' ARG . . . . . 0.763 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 94.6 mtt180 -78.08 -20.93 51.31 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 121.103 -0.239 . . . . 0.0 111.25 178.543 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 128' ' ' ARG . . . . . . . . . . . . . 5.6 ttm180 -55.37 -39.52 70.19 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.813 0.339 . . . . 0.0 111.718 -178.724 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 129' ' ' GLU . . . . . 0.551 ' HG2' ' CA ' ' B' ' 141' ' ' SER . 30.6 mt-10 -62.07 -27.8 69.16 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.813 -175.344 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 130' ' ' LEU . . . . . 0.763 ' HG ' ' O ' ' B' ' 127' ' ' ARG . 0.1 OUTLIER -92.83 4.53 53.67 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.277 0.561 . . . . 0.0 110.959 -177.233 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 131' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -128.05 91.44 3.27 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 171.059 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 56.4 tttp -54.35 99.74 0.03 OUTLIER 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.527 0.68 . . . . 0.0 112.214 -167.09 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -83.27 153.2 24.79 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 114.96 -1.018 . . . . 0.0 108.493 176.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 134' ' ' ARG . . . . . 0.623 ' HD2' ' N ' ' B' ' 134' ' ' ARG . 5.9 mpt_? -87.17 79.95 8.45 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 -176.657 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -93.01 98.75 11.55 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 114.256 -1.338 . . . . 0.0 110.885 -173.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 27.0 mmmt -90.97 53.1 2.29 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.654 0.74 . . . . 0.0 109.347 179.593 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 57.8 tptt -148.81 147.84 29.23 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.569 -1.196 . . . . 0.0 108.552 -177.206 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 59.2 tp -74.47 79.37 1.92 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.464 0.649 . . . . 0.0 110.04 176.234 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . -125.86 148.68 49.1 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.372 175.117 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 16.8 m -99.38 84.22 2.96 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.907 0.384 . . . . 0.0 111.157 -179.606 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 141' ' ' SER . . . . . 0.551 ' CA ' ' HG2' ' B' ' 129' ' ' GLU . 70.6 m . . . . . 0 C--O 1.248 0.999 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 176.404 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 . . . . . 0 N--CA 1.481 1.113 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -67.51 -68.41 0.03 OUTLIER 'Trans proline' 0 CA--C 1.531 0.363 0 C-N-CA 122.656 2.237 . . . . 0.0 113.732 -177.444 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 8.9 p -96.19 -55.46 2.95 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.148 0.499 . . . . 0.0 111.684 -174.545 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -135.33 157.15 47.63 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.853 -178.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 5' ' ' ARG . . . . . 0.414 ' HD3' ' C ' ' B' ' 5' ' ' ARG . 3.4 tmt_? -68.27 123.45 20.78 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 170.323 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.75 133.52 90.45 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-O 121.388 0.613 . . . . 0.0 112.276 -174.495 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -73.09 169.73 21.53 Favored 'Trans proline' 0 N--CA 1.452 -0.927 0 C-N-CA 122.723 2.282 . . . . 0.0 111.865 172.417 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 1.9 p -81.32 115.4 20.67 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 172.389 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 9' ' ' TRP . . . . . 0.416 ' HB3' ' HG3' ' B' ' 14' ' ' GLU . 25.6 m95 -52.69 125.95 18.33 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.945 -175.476 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 18.8 m -75.05 150.14 85.52 Favored Pre-proline 0 N--CA 1.446 -0.664 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 171.568 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_exo -50.72 -40.4 56.28 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.631 2.221 . . . . 0.0 112.65 -178.079 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -59.02 -39.99 83.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.294 179.155 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -71.71 -37.67 70.63 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.303 -176.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' GLU . . . . . 0.416 ' HG3' ' HB3' ' B' ' 9' ' ' TRP . 32.1 mt-10 -74.86 -27.06 60.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.934 0.397 . . . . 0.0 110.516 177.292 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 15' ' ' ALA . . . . . 0.532 ' O ' ' HB2' ' B' ' 19' ' ' GLU . . . -68.5 -22.2 64.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.215 0.531 . . . . 0.0 109.691 172.807 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.492 ' HA ' ' CB ' ' B' ' 19' ' ' GLU . 17.8 t-160 -90.77 -28.28 18.35 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.355 176.134 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.43 ' CD2' ' HB2' ' B' ' 53' ' ' HIS . 32.2 tp -65.52 -46.28 80.23 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.489 174.433 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 18' ' ' ARG . . . . . 0.754 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 30.4 ptt180 -71.59 -30.94 66.39 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 175.593 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 19' ' ' GLU . . . . . 0.532 ' HB2' ' O ' ' B' ' 15' ' ' ALA . 10.2 tp10 -53.52 -50.51 65.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.236 -179.174 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.43 -26.17 59.9 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.923 -1.035 . . . . 0.0 110.899 -178.159 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 21' ' ' TYR . . . . . 0.457 ' HA ' HD11 ' B' ' 36' ' ' ILE . 82.9 t80 -71.81 -51.96 19.92 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-O 121.107 0.48 . . . . 0.0 110.038 178.314 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.754 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 27.6 mt -62.86 -18.93 63.62 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.972 -178.224 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.79 -38.54 32.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.093 178.304 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 49.4 m-80 -114.73 12.84 17.18 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -174.056 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.446 ' HD2' ' HA ' ' B' ' 22' ' ' LEU . 22.1 ptmt -68.73 -26.5 65.29 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -174.562 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -106.83 12.12 29.31 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.116 0.484 . . . . 0.0 110.66 -175.31 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 60.9 t -93.55 107.87 19.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.23 179.579 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -86.68 148.04 25.63 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.165 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 92.45 -3.93 76.05 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.703 -0.76 . . . . 0.0 111.516 -177.569 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 30' ' ' GLN . . . . . 0.443 ' HG2' ' N ' ' B' ' 31' ' ' ASP . 23.0 tt0 -130.77 147.82 52.47 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.875 0.369 . . . . 0.0 110.314 179.809 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 31' ' ' ASP . . . . . 0.443 ' N ' ' HG2' ' B' ' 30' ' ' GLN . 6.3 m-20 -76.29 109.29 9.86 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.655 170.701 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.411 ' O ' HG13 ' B' ' 36' ' ' ILE . 7.8 p -58.94 -35.45 56.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 170.348 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 33' ' ' VAL . . . . . 0.668 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 3.8 t -53.51 -59.97 1.57 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.542 0 CA-C-N 114.191 -1.368 . . . . 0.0 110.524 178.334 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.531 ' HA ' ' CD1' ' B' ' 37' ' ' LEU . 38.9 tt0 -67.99 -34.66 76.97 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.795 -175.806 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.33 -42.16 73.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.664 0.745 . . . . 0.0 109.92 177.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.463 HD13 HD11 ' B' ' 54' ' ' LEU . 76.9 mt -72.98 -61.99 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 114.878 -1.055 . . . . 0.0 111.252 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.668 ' HG ' ' O ' ' B' ' 33' ' ' VAL . 3.3 pp -63.36 -18.99 64.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.605 -0.725 . . . . 0.0 112.678 -172.128 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 38' ' ' ALA . . . . . 0.42 ' N ' HD12 ' B' ' 37' ' ' LEU . . . -81.72 -50.38 9.35 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.712 0.291 . . . . 0.0 111.521 179.002 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 67.9 m80 -75.47 -29.35 59.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.824 0.345 . . . . 0.0 110.894 -173.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 1.4 mt -88.03 79.29 8.02 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.343 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -111.0 36.83 3.01 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 122.096 0.95 . . . . 0.0 109.025 172.363 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -82.31 -30.43 30.49 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 113.883 -1.508 . . . . 0.0 109.019 172.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -111.34 117.93 48.46 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 114.781 -1.1 . . . . 0.0 108.886 173.662 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -79.93 103.7 1.59 Allowed 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 122.161 1.907 . . . . 0.0 111.551 177.507 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.472 HH11 ' HB2' ' B' ' 45' ' ' ARG . 0.0 OUTLIER -152.05 178.04 9.86 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.473 -175.908 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 11.5 t -78.34 162.41 26.5 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 173.051 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 47' ' ' ARG . . . . . 0.448 ' CG ' HD22 ' B' ' 37' ' ' LEU . 0.6 OUTLIER -66.93 -29.88 69.87 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.869 0.366 . . . . 0.0 110.654 -178.191 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -49.05 -31.45 7.78 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.982 176.14 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.462 ' HG3' ' CB ' ' B' ' 45' ' ' ARG . 46.8 mm-40 -59.33 -52.85 63.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.557 178.344 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.41 HG23 HD11 ' B' ' 17' ' ' LEU . 2.8 mp -53.69 -52.83 30.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.905 -177.631 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.432 HG22 HG22 ' B' ' 63' ' ' VAL . 3.6 mp -63.04 -43.21 98.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.215 -175.204 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -61.33 -46.59 89.62 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.879 -177.579 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 53' ' ' HIS . . . . . 0.43 ' HB2' ' CD2' ' B' ' 17' ' ' LEU . 76.2 m-70 -65.58 -36.89 85.07 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.611 -0.436 . . . . 0.0 111.606 -177.47 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 54' ' ' LEU . . . . . 0.463 HD11 HD13 ' B' ' 36' ' ' ILE . 80.3 mt -64.33 -45.94 85.65 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.084 0.468 . . . . 0.0 110.939 -176.452 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 55' ' ' VAL . . . . . 0.468 HG11 ' C ' ' B' ' 62' ' ' SER . 12.3 m -78.52 -23.62 13.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.308 0.575 . . . . 0.0 110.429 -178.761 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -78.36 -24.7 46.3 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.54 -0.754 . . . . 0.0 111.286 178.756 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 70.9 mtm -84.43 -2.09 56.64 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.955 0.407 . . . . 0.0 110.733 176.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 75.18 3.13 68.71 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 121.061 -0.59 . . . . 0.0 112.843 176.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.462 HD11 ' CD2' ' B' ' 54' ' ' LEU . 4.2 pp -85.94 -19.11 30.96 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.429 0.633 . . . . 0.0 110.008 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -116.3 170.4 8.56 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.518 173.504 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -83.25 -68.17 0.73 Allowed 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.726 -0.39 . . . . 0.0 111.695 -177.158 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 62' ' ' SER . . . . . 0.468 ' C ' HG11 ' B' ' 55' ' ' VAL . 31.7 m -158.0 165.63 34.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.718 -173.835 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 63' ' ' VAL . . . . . 0.432 HG22 HG22 ' B' ' 51' ' ' ILE . 69.1 t -61.99 -27.02 41.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.049 175.24 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 64' ' ' LYS . . . . . 0.791 ' HA ' ' O ' ' B' ' 68' ' ' ARG . 46.9 mtmt -57.94 -31.71 67.11 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.88 -1.054 . . . . 0.0 112.002 -178.354 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -82.49 -26.32 32.68 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.11 0.481 . . . . 0.0 110.864 -177.069 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 66' ' ' PHE . . . . . 0.45 ' CD1' HG22 ' B' ' 33' ' ' VAL . 17.1 m-85 -92.18 -44.39 8.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.943 -176.352 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -116.56 -79.39 0.59 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.268 0.556 . . . . 0.0 112.333 -169.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 68' ' ' ARG . . . . . 0.791 ' O ' ' HA ' ' B' ' 64' ' ' LYS . 29.6 ttm180 -136.72 151.12 48.88 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.821 -171.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 63.9 pttt -72.0 -4.31 27.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.683 0.277 . . . . 0.0 111.21 -179.275 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -62.24 132.62 45.42 Favored Glycine 0 N--CA 1.448 -0.541 0 CA-C-N 116.027 -0.533 . . . . 0.0 112.16 178.427 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -85.24 132.45 34.27 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.124 0.488 . . . . 0.0 112.044 -178.865 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 72' ' ' HIS . . . . . 0.456 ' O ' ' HD2' ' B' ' 113' ' ' ARG . 26.4 p-80 -57.81 112.86 1.61 Allowed 'General case' 0 N--CA 1.445 -0.689 0 N-CA-C 107.813 -1.18 . . . . 0.0 107.813 167.747 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 1.6 mm -127.66 110.42 22.22 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.317 0 CA-C-O 122.474 1.13 . . . . 0.0 111.491 -178.105 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 74' ' ' VAL . . . . . 0.402 ' H ' HG12 ' B' ' 74' ' ' VAL . 0.2 OUTLIER -55.18 134.36 18.6 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.027 0 CA-C-N 113.193 -1.821 . . . . 0.0 108.378 165.156 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 46.7 tp -52.36 89.94 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 -168.266 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 76' ' ' TRP . . . . . 0.544 ' CH2' HD22 ' B' ' 84' ' ' LEU . 96.3 m95 -89.66 109.1 20.1 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.977 0.418 . . . . 0.0 110.629 178.582 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 77' ' ' THR . . . . . 0.417 ' O ' ' HG3' ' B' ' 81' ' ' GLU . 42.8 p -111.43 167.34 10.39 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 108.72 -0.845 . . . . 0.0 108.72 173.364 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -53.95 -32.73 49.38 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.551 -0.833 . . . . 0.0 111.566 176.215 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -65.75 -55.31 17.96 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.47 -0.365 . . . . 0.0 110.616 176.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -66.39 -35.42 80.27 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.421 -177.133 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 81' ' ' GLU . . . . . 0.417 ' HG3' ' O ' ' B' ' 77' ' ' THR . 55.1 mt-10 -61.63 -39.63 91.98 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 176.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.485 ' O ' ' HG3' ' B' ' 86' ' ' ARG . 30.7 tp -66.88 -43.52 83.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.499 176.569 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 83' ' ' GLU . . . . . 0.452 ' CD ' HH21 ' B' ' 86' ' ' ARG . 8.4 mm-40 -59.93 -41.58 92.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.717 179.529 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 84' ' ' LEU . . . . . 0.544 HD22 ' CH2' ' B' ' 76' ' ' TRP . 60.8 tp -63.05 -48.03 80.42 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 174.437 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 85' ' ' GLN . . . . . 0.446 ' O ' ' HG3' ' B' ' 89' ' ' GLU . 22.0 tm0? -54.07 -53.19 56.61 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.862 -179.102 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 86' ' ' ARG . . . . . 0.485 ' HG3' ' O ' ' B' ' 82' ' ' LEU . 40.2 mtm180 -61.05 -50.23 74.17 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.962 0.411 . . . . 0.0 111.451 -179.004 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 7.7 tp -66.81 -39.44 87.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.04 -173.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.636 ' CE2' ' HB3' ' B' ' 123' ' ' LEU . 1.0 OUTLIER -56.55 -41.45 76.85 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.726 179.518 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.446 ' HG3' ' O ' ' B' ' 85' ' ' GLN . 33.1 mt-10 -69.24 -41.16 77.36 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.079 0.466 . . . . 0.0 110.388 178.446 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -65.83 -33.74 76.54 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.357 -0.838 . . . . 0.0 112.062 -172.011 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -112.75 17.06 19.37 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.952 -0.299 . . . . 0.0 111.059 -179.659 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 92' ' ' ARG . . . . . 0.609 ' HB2' ' O ' ' B' ' 88' ' ' PHE . 18.9 ttt180 -73.78 -16.34 61.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.697 0.76 . . . . 0.0 109.664 177.192 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -71.66 -1.41 13.64 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.794 -1.093 . . . . 0.0 110.59 174.008 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 19.2 m -103.85 157.35 17.14 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.03 178.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -79.01 -5.87 54.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.422 -177.695 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -147.98 79.42 1.46 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.089 0.471 . . . . 0.0 109.743 173.554 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 97' ' ' VAL . . . . . 0.558 ' O ' HG13 ' B' ' 101' ' ' ILE . 2.6 p -64.12 -34.66 70.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.387 -175.473 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 98' ' ' LEU . . . . . 0.517 HD12 HG13 ' B' ' 97' ' ' VAL . 7.3 mp -63.24 -33.25 75.09 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 121.052 -0.259 . . . . 0.0 111.362 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -69.0 -31.0 72.09 Favored Glycine 0 CA--C 1.509 -0.291 0 C-N-CA 120.707 -0.759 . . . . 0.0 111.571 176.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 51.9 m80 -79.3 -30.17 42.79 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 177.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 101' ' ' ILE . . . . . 0.558 HG13 ' O ' ' B' ' 97' ' ' VAL . 71.8 mt -62.03 -61.19 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.393 174.565 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 58.4 mtt -52.35 -43.54 64.69 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -175.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -74.71 -25.21 58.98 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.353 -0.385 . . . . 0.0 112.01 -176.243 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -104.02 -20.17 13.95 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -174.653 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 105' ' ' ILE . . . . . 0.446 HG22 ' O ' ' B' ' 101' ' ' ILE . 11.2 tp -91.24 158.58 2.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.45 0.643 . . . . 0.0 111.381 -175.778 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 106' ' ' THR . . . . . 0.446 ' N ' HG13 ' B' ' 105' ' ' ILE . 7.4 t -77.87 -16.46 58.25 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.839 -175.197 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -111.73 128.73 56.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.643 0.259 . . . . 0.0 111.31 -177.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.31 102.46 14.01 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 176.013 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 35.8 mtt180 -108.87 179.44 4.18 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.077 -176.108 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 4.3 m -99.32 152.2 20.2 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.266 179.671 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 10.1 mmt180 -58.48 -50.72 72.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.016 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -60.73 -30.5 70.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.187 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 113' ' ' ARG . . . . . 0.538 ' HA ' ' HE ' ' B' ' 113' ' ' ARG . 0.0 OUTLIER -74.25 -33.06 63.19 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.439 -178.862 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 78.4 mt -78.96 -44.35 24.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.232 179.37 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 115' ' ' VAL . . . . . 0.417 HG22 ' CD1' ' B' ' 130' ' ' LEU . 49.5 t -55.94 -54.02 31.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.889 176.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -58.04 -36.95 73.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.64 -178.734 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 117' ' ' LYS . . . . . 0.428 ' HE3' HD11 ' B' ' 121' ' ' LEU . 40.8 tptt -68.28 -39.71 82.03 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.045 -176.593 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 118' ' ' LEU . . . . . 0.437 HD12 HD22 ' B' ' 130' ' ' LEU . 20.5 mt -60.81 -50.23 74.29 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 120.94 0.4 . . . . 0.0 110.349 177.318 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -58.54 -35.4 72.25 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.8 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -74.25 -42.37 59.78 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.245 -177.063 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 121' ' ' LEU . . . . . 0.428 HD11 ' HE3' ' B' ' 117' ' ' LYS . 8.8 mp -70.98 -25.72 62.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.131 0.491 . . . . 0.0 111.093 176.553 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 82.68 33.4 24.84 Favored Glycine 0 N--CA 1.442 -0.911 0 C-N-CA 120.508 -0.853 . . . . 0.0 111.088 -173.199 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 123' ' ' LEU . . . . . 0.636 ' HB3' ' CE2' ' B' ' 88' ' ' PHE . 55.0 mt -80.03 -27.75 39.43 Favored 'General case' 0 CA--C 1.511 -0.544 0 N-CA-C 108.204 -1.035 . . . . 0.0 108.204 177.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 124' ' ' VAL . . . . . 0.441 HG21 ' CD2' ' B' ' 130' ' ' LEU . 35.8 m -136.57 165.5 28.48 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 113.43 -1.714 . . . . 0.0 108.372 172.213 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -105.99 -14.75 15.09 Favored 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 176.737 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 126' ' ' GLU . . . . . 0.425 ' O ' HD21 ' B' ' 130' ' ' LEU . 17.3 pt-20 -156.83 172.48 18.57 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.904 -176.875 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 127' ' ' ARG . . . . . 0.807 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 93.3 mtt180 -80.07 -20.33 45.43 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -176.09 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 128' ' ' ARG . . . . . . . . . . . . . 29.8 mtt180 -47.7 -49.39 28.05 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 121.133 0.492 . . . . 0.0 110.971 179.691 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -68.83 -12.52 61.62 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.348 -0.842 . . . . 0.0 112.824 -170.385 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 130' ' ' LEU . . . . . 0.807 ' HG ' ' O ' ' B' ' 127' ' ' ARG . 0.0 OUTLIER -88.89 -6.47 57.29 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.456 -177.745 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 131' ' ' TYR . . . . . . . . . . . . . 4.6 p90 -150.09 42.43 0.85 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.515 0.674 . . . . 0.0 110.607 174.386 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 31.6 tttt -133.61 119.49 19.49 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.138 176.306 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 133' ' ' LYS . . . . . 0.582 ' O ' ' HD2' ' B' ' 134' ' ' ARG . 25.5 pttm -108.25 74.83 0.95 Allowed 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 118.486 -1.286 . . . . 0.0 111.29 172.812 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 134' ' ' ARG . . . . . 0.582 ' HD2' ' O ' ' B' ' 133' ' ' LYS . 4.7 mpt_? -136.89 76.6 1.6 Allowed 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 106.481 -1.674 . . . . 0.0 106.481 164.636 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 83.7 mm-40 -101.89 108.57 20.08 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 114.782 -1.099 . . . . 0.0 111.625 -172.122 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -132.32 -170.67 2.47 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.724 -1.125 . . . . 0.0 108.491 177.444 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 137' ' ' LYS . . . . . 0.447 ' HE3' ' CA ' ' B' ' 138' ' ' LEU . 0.0 OUTLIER -70.4 103.47 2.44 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.296 0.569 . . . . 0.0 111.202 -179.25 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 138' ' ' LEU . . . . . 0.447 ' CA ' ' HE3' ' B' ' 137' ' ' LYS . 3.1 mm? -136.16 167.69 20.79 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 165.016 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . -65.67 168.47 7.6 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 173.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 1.5 p -59.48 115.37 3.24 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.198 0.523 . . . . 0.0 111.394 -179.016 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 141' ' ' SER . . . . . . . . . . . . . 32.3 m . . . . . 0 C--O 1.253 1.257 0 CA-C-O 117.586 -1.197 . . . . 0.0 108.5 179.39 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 75.9 m95 . . . . . 0 N--CA 1.451 -0.391 0 CA-C-O 121.579 0.704 . . . . 0.0 111.307 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' SER . . . . . 0.515 ' H ' ' HB3' ' B' ' 13' ' ' GLU . 51.8 p -146.45 167.07 14.76 Favored Pre-proline 0 C--N 1.312 -1.029 0 N-CA-C 107.515 -1.291 . . . . 0.0 107.515 174.517 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -53.31 -32.77 62.79 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 121.749 1.633 . . . . 0.0 110.903 174.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 59.9 tt0 -73.6 -44.79 56.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.849 -1.069 . . . . 0.0 110.973 177.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.515 ' HB3' ' H ' ' B' ' 10' ' ' SER . 7.5 tp10 -66.13 -39.44 89.88 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.62 0.248 . . . . 0.0 111.119 -177.33 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -76.72 -21.91 54.61 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.443 -0.503 . . . . 0.0 110.443 178.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.43 -24.39 61.21 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.662 0.744 . . . . 0.0 109.366 169.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.53 ' O ' ' HB3' ' B' ' 19' ' ' GLU . 12.6 t-160 -82.88 -23.59 33.57 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.659 -1.155 . . . . 0.0 109.467 174.557 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.524 HD11 HG13 ' B' ' 50' ' ' ILE . 38.1 tp -73.69 -46.94 43.27 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 176.126 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . 0.816 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 9.4 ptm180 -67.1 -33.49 75.58 Favored 'General case' 0 N--CA 1.443 -0.785 0 N-CA-C 108.585 -0.895 . . . . 0.0 108.585 173.572 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . 0.53 ' HB3' ' O ' ' B' ' 16' ' ' HIS . 13.1 tp10 -49.87 -56.68 9.55 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.261 0.553 . . . . 0.0 110.481 177.268 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.96 -33.93 76.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.599 -179.221 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' TYR . . . . . 0.42 ' CD1' HD22 ' B' ' 54' ' ' LEU . 5.6 t80 -68.23 -49.23 62.11 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 -178.303 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.816 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 29.3 mt -63.9 -31.41 72.58 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.722 -179.328 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.64 -34.81 53.11 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.766 -178.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 22.7 m-80 -107.67 8.16 28.89 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -174.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 14.9 ptmm? -86.26 -13.2 47.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.38 0.609 . . . . 0.0 109.642 171.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -73.34 -32.87 64.81 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.657 -176.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 4.9 p -75.48 140.58 17.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.65 -0.704 . . . . 0.0 109.451 175.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -106.73 139.36 41.28 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.979 0.419 . . . . 0.0 111.622 -171.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.86 21.36 79.34 Favored Glycine 0 N--CA 1.451 -0.326 0 CA-C-N 115.78 -0.645 . . . . 0.0 112.903 176.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . 0.478 ' HG2' ' N ' ' B' ' 31' ' ' ASP . 0.0 OUTLIER -110.16 163.2 13.84 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 120.536 0.207 . . . . 0.0 110.496 -179.08 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . 0.478 ' N ' ' HG2' ' B' ' 30' ' ' GLN . 9.6 m-20 -80.36 94.96 6.24 Favored 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 173.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . 0.434 ' O ' HG13 ' B' ' 36' ' ' ILE . 9.9 p -68.28 -30.73 48.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.406 -176.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . 0.407 HG23 ' H ' ' B' ' 33' ' ' VAL . 1.1 t -62.81 -53.6 44.72 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.294 -178.361 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.413 ' HA ' ' HB2' ' B' ' 37' ' ' LEU . 39.7 mt-10 -63.36 -34.67 78.23 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.52 179.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . 0.552 ' O ' ' HD2' ' B' ' 39' ' ' HIS . . . -55.7 -49.61 72.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.642 0.734 . . . . 0.0 109.564 176.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.528 HD13 HD11 ' B' ' 54' ' ' LEU . 40.5 mt -67.15 -63.05 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.919 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.992 177.057 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.741 HD23 HD13 ' B' ' 50' ' ' ILE . 11.1 mt -41.4 -44.62 2.87 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.002 0.921 . . . . 0.0 113.097 -177.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -86.89 -22.9 25.43 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 -169.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' HIS . . . . . 0.552 ' HD2' ' O ' ' B' ' 35' ' ' ALA . 75.8 m-70 -91.72 -30.05 16.49 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 119.673 -0.811 . . . . 0.0 112.997 -174.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.693 ' HG ' ' O ' ' B' ' 40' ' ' LEU . 2.1 pt? -95.57 81.85 3.58 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 118.834 -1.147 . . . . 0.0 110.521 177.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -84.13 38.83 0.68 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.707 0.765 . . . . 0.0 109.951 -178.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . 0.44 HG21 ' CD ' ' B' ' 13' ' ' GLU . 7.3 t -91.73 -28.54 17.35 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.814 -1.085 . . . . 0.0 110.274 -177.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . 0.421 HG12 HG23 ' B' ' 42' ' ' THR . 4.4 p -136.18 128.61 17.54 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.656 -175.365 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -78.24 97.75 1.16 Allowed 'Trans proline' 0 N--CA 1.46 -0.465 0 C-N-CA 122.763 2.309 . . . . 0.0 111.815 176.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . 0.425 HH11 ' HD2' ' B' ' 45' ' ' ARG . 0.0 OUTLIER -145.76 145.88 31.0 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.079 -177.502 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 11.0 t -69.55 174.38 5.04 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 115.665 -0.698 . . . . 0.0 112.544 -173.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . 0.574 ' HA ' HD21 ' B' ' 37' ' ' LEU . 1.0 OUTLIER -56.76 -38.83 73.0 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.156 -0.929 . . . . 0.0 111.024 179.364 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.473 ' O ' ' HB2' ' B' ' 52' ' ' HIS . 8.2 tttt -60.45 -25.64 66.15 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.559 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -75.32 -38.28 60.34 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.219 0.452 . . . . 0.0 112.219 -172.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.741 HD13 HD23 ' B' ' 37' ' ' LEU . 1.5 mp -63.8 -49.21 82.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 174.659 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.566 HG12 ' CD2' ' B' ' 66' ' ' PHE . 59.4 mt -58.81 -48.2 86.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.217 0.532 . . . . 0.0 110.219 179.227 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' HIS . . . . . 0.473 ' HB2' ' O ' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -52.49 -61.24 2.4 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.936 -1.029 . . . . 0.0 112.134 -176.795 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' HIS . . . . . 0.524 ' HB2' ' CD2' ' B' ' 17' ' ' LEU . 9.8 m-70 -69.08 -24.64 64.17 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.709 0.29 . . . . 0.0 111.602 -171.131 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . 0.528 HD11 HD13 ' B' ' 36' ' ' ILE . 78.5 mt -76.99 -47.0 21.97 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.778 0.323 . . . . 0.0 111.187 -177.359 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 23.9 m -74.89 -20.75 16.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 C-N-CA 120.236 -0.586 . . . . 0.0 110.019 177.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -79.27 -30.13 42.9 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.752 176.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.524 ' HB2' ' CD2' ' B' ' 59' ' ' LEU . 72.3 mtm -83.53 2.35 37.45 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.652 177.58 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 68.75 21.45 74.93 Favored Glycine 0 N--CA 1.45 -0.425 0 CA-C-N 115.888 -0.596 . . . . 0.0 113.321 173.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.524 ' CD2' ' HB2' ' B' ' 57' ' ' MET . 1.9 pt? -106.11 -8.5 17.42 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 176.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -118.47 165.75 13.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.383 173.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -83.46 -67.38 0.79 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.989 0.423 . . . . 0.0 112.034 -175.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 47.5 m -157.82 166.52 32.48 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.001 -172.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 55.7 t -61.53 -34.91 63.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.669 0.747 . . . . 0.0 110.19 174.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 5.8 mtmp? -54.86 -49.17 71.79 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.69 -1.141 . . . . 0.0 111.252 -179.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -64.71 -19.72 65.92 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.971 -1.013 . . . . 0.0 111.682 -172.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' PHE . . . . . 0.566 ' CD2' HG12 ' B' ' 51' ' ' ILE . 3.2 m-85 . . . . . 0 C--N 1.32 -0.677 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 -168.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . 0.617 HG22 HE22 ' B' ' 80' ' ' GLN . 0.5 OUTLIER . . . . . 0 N--CA 1.444 -0.737 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -48.01 97.97 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.143 0.902 . . . . 0.0 111.698 -176.009 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 76' ' ' TRP . . . . . 0.451 ' NE1' ' HG3' ' B' ' 117' ' ' LYS . 48.1 m95 -86.39 110.19 19.54 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.955 -175.412 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 77' ' ' THR . . . . . 0.406 ' O ' ' HG3' ' B' ' 81' ' ' GLU . 74.0 p -106.99 167.98 9.52 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.67 176.567 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -55.15 -44.52 83.81 Favored Glycine 0 N--CA 1.454 -0.158 0 C-N-CA 121.211 -0.519 . . . . 0.0 113.016 -177.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -66.42 -40.06 89.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.854 0.359 . . . . 0.0 110.908 179.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 80' ' ' GLN . . . . . 0.617 HE22 HG22 ' B' ' 74' ' ' VAL . 21.8 tt0 -68.27 -39.72 82.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.585 -177.212 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 81' ' ' GLU . . . . . 0.406 ' HG3' ' O ' ' B' ' 77' ' ' THR . 59.8 mt-10 -61.47 -34.06 74.82 Favored 'General case' 0 CA--C 1.518 -0.27 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 175.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 20.3 tp -66.2 -35.34 80.19 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.933 -178.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -54.37 -57.4 11.42 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 122.011 0.91 . . . . 0.0 108.683 176.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . 0.4 HD11 HG23 ' B' ' 114' ' ' ILE . 25.5 tp -63.66 -44.33 94.11 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 114.026 -1.443 . . . . 0.0 110.871 -177.273 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . 0.462 HE21 ' N ' ' B' ' 86' ' ' ARG . 0.0 OUTLIER -57.97 -55.05 39.92 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.049 -177.78 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 86' ' ' ARG . . . . . 0.462 ' N ' HE21 ' B' ' 85' ' ' GLN . 95.3 mtt180 -66.22 -52.89 43.44 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 111.741 0.274 . . . . 0.0 111.741 -176.26 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 6.9 mp -58.33 -41.11 83.88 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 111.628 0.232 . . . . 0.0 111.628 -176.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.702 ' CE1' ' HB3' ' B' ' 123' ' ' LEU . 24.9 t80 -54.01 -49.05 69.75 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.665 178.706 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -80.28 -16.46 54.62 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 120.667 -0.413 . . . . 0.0 111.246 -175.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -87.02 -25.34 24.29 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.227 -178.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 91' ' ' PHE . . . . . 0.426 ' O ' ' HB ' ' B' ' 97' ' ' VAL . 86.3 m-85 -119.81 19.76 12.39 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.979 0.418 . . . . 0.0 110.451 177.485 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 92' ' ' ARG . . . . . 0.476 ' HB2' ' O ' ' B' ' 88' ' ' PHE . 53.6 ttt180 -69.7 -30.64 68.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.328 0.585 . . . . 0.0 109.826 -179.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -86.75 37.33 0.75 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.491 177.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 50.5 m -119.88 178.53 4.56 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.18 178.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -77.91 -16.62 58.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.577 -177.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -168.24 99.15 0.43 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 175.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 97' ' ' VAL . . . . . 0.537 ' O ' HG13 ' B' ' 101' ' ' ILE . 2.2 p -68.75 -36.88 76.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.556 -175.205 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . 0.453 HD12 HG13 ' B' ' 97' ' ' VAL . 8.1 mp -65.73 -34.07 77.34 Favored 'General case' 0 CA--C 1.518 -0.285 0 C-N-CA 120.903 -0.319 . . . . 0.0 111.464 -179.084 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 99' ' ' GLY . . . . . 0.653 ' O ' ' HG2' ' B' ' 103' ' ' LYS . . . -54.87 -41.7 77.06 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.676 -0.773 . . . . 0.0 111.328 172.378 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -74.48 -36.52 63.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.677 0.275 . . . . 0.0 110.53 178.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 101' ' ' ILE . . . . . 0.864 ' O ' ' HB ' ' B' ' 105' ' ' ILE . 71.3 mt -56.03 -37.22 47.7 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.454 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.485 -178.614 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 102' ' ' MET . . . . . 0.547 ' HE2' ' O ' ' B' ' 109' ' ' ARG . 49.6 mtt -82.57 -33.41 28.1 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 179.521 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 103' ' ' LYS . . . . . 0.653 ' HG2' ' O ' ' B' ' 99' ' ' GLY . 73.4 mmtt -75.87 -37.14 59.19 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.807 0.337 . . . . 0.0 111.381 -175.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -102.98 18.88 20.6 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.165 -172.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 105' ' ' ILE . . . . . 0.864 ' HB ' ' O ' ' B' ' 101' ' ' ILE . 9.5 tp -104.56 166.92 2.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.925 0.869 . . . . 0.0 112.782 -171.06 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 106' ' ' THR . . . . . 0.534 ' N ' HG13 ' B' ' 105' ' ' ILE . 3.0 m -87.09 -44.52 11.48 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-N 114.068 -1.424 . . . . 0.0 110.925 170.481 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 107' ' ' ALA . . . . . 0.523 ' H ' HG13 ' B' ' 105' ' ' ILE . . . -99.74 129.1 45.83 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -175.078 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 108' ' ' LYS . . . . . 0.404 ' HA ' ' HE2' ' B' ' 108' ' ' LYS . 7.9 mmpt? -82.66 103.12 11.94 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.03 177.305 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 109' ' ' ARG . . . . . 0.547 ' O ' ' HE2' ' B' ' 102' ' ' MET . 43.6 mtm-85 -115.86 177.69 4.58 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.996 -177.667 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 47.7 t -99.59 159.47 15.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.897 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 44.7 mmm-85 -60.87 -50.65 72.57 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.349 178.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 112' ' ' ALA . . . . . 0.417 ' HA ' HG22 ' B' ' 115' ' ' VAL . . . -60.78 -33.97 73.77 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 121.351 0.596 . . . . 0.0 110.968 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 113' ' ' ARG . . . . . 0.566 ' HA ' ' CZ ' ' B' ' 113' ' ' ARG . 1.2 tpp180 -70.44 -36.73 74.13 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.713 -179.463 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 114' ' ' ILE . . . . . 0.4 HG23 HD11 ' B' ' 84' ' ' LEU . 94.6 mt -75.63 -45.8 38.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.509 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 115' ' ' VAL . . . . . 0.581 ' O ' HD23 ' B' ' 119' ' ' LEU . 25.6 m -63.31 -37.55 79.78 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.132 0 CA-C-O 120.6 0.238 . . . . 0.0 111.321 -176.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -62.92 -40.75 98.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.332 0.587 . . . . 0.0 110.573 176.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . 0.515 ' O ' HD13 ' B' ' 121' ' ' LEU . 2.4 mmtm -72.98 -29.26 62.92 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.76 -177.29 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . 0.443 HD22 HD12 ' B' ' 123' ' ' LEU . 16.5 mt -60.86 -49.16 78.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.065 0.459 . . . . 0.0 110.301 174.052 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 119' ' ' LEU . . . . . 0.581 HD23 ' O ' ' B' ' 115' ' ' VAL . 4.6 mm? -60.17 -35.49 75.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.684 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -70.3 -39.71 74.69 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.265 -178.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 121' ' ' LEU . . . . . 0.515 HD13 ' O ' ' B' ' 117' ' ' LYS . 10.6 mp -72.56 -25.52 61.39 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 121.072 0.463 . . . . 0.0 110.906 175.419 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 83.87 31.17 27.13 Favored Glycine 0 N--CA 1.443 -0.853 0 N-CA-C 111.285 -0.726 . . . . 0.0 111.285 -174.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . 0.702 ' HB3' ' CE1' ' B' ' 88' ' ' PHE . 69.3 mt -78.57 -27.55 45.74 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-O 121.513 0.673 . . . . 0.0 109.237 179.604 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 124' ' ' VAL . . . . . 0.47 HG11 ' CD2' ' B' ' 130' ' ' LEU . 20.1 m -140.69 176.51 4.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 114.723 -1.126 . . . . 0.0 110.042 175.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -113.82 -9.38 13.11 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.72 177.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -164.94 174.6 10.34 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.05 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 127' ' ' ARG . . . . . 0.704 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 0.6 OUTLIER -79.24 -22.31 44.97 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 -177.097 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 128' ' ' ARG . . . . . . . . . . . . . 3.7 ptp180 -71.29 -26.19 62.76 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.202 -0.599 . . . . 0.0 111.665 -174.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -66.07 -26.62 67.57 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 120.903 0.382 . . . . 0.0 110.971 -177.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 130' ' ' LEU . . . . . 0.704 ' HG ' ' O ' ' B' ' 127' ' ' ARG . 0.1 OUTLIER -94.51 1.6 55.7 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.725 -178.412 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 131' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 . . . . . 0 C--N 1.326 -0.419 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.035 178.15 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' TRP . . . . . 0.476 ' CZ2' ' HD3' ' B' ' 45' ' ' ARG . 14.9 m95 . . . . . 0 N--CA 1.452 -0.356 0 CA-C-O 121.165 0.507 . . . . 0.0 111.317 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 15.0 m -79.67 149.19 70.82 Favored Pre-proline 0 C--N 1.32 -0.714 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 170.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo -47.38 -44.8 24.09 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.979 2.453 . . . . 0.0 113.003 -177.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -68.01 -26.02 65.68 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.509 -178.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -79.25 -34.51 42.59 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.991 -0.284 . . . . 0.0 110.422 -176.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -75.37 -28.61 59.59 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.998 0.428 . . . . 0.0 110.513 175.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.84 -37.4 81.84 Favored 'General case' 0 C--O 1.221 -0.417 0 CA-C-O 121.375 0.607 . . . . 0.0 109.384 171.1 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.508 ' O ' ' HB3' ' B' ' 19' ' ' GLU . 18.3 t-160 -70.39 -27.31 64.21 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.056 -0.975 . . . . 0.0 110.173 175.486 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.468 HD21 ' HB2' ' B' ' 53' ' ' HIS . 46.9 tp -65.58 -48.91 70.74 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.799 177.258 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . 0.728 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 17.4 ptt180 -73.47 -29.96 62.86 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 175.478 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . 0.508 ' HB3' ' O ' ' B' ' 16' ' ' HIS . 16.4 tp10 -49.19 -49.61 41.91 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.672 0.749 . . . . 0.0 110.096 175.779 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.508 ' HB3' HG12 ' B' ' 36' ' ' ILE . 0.4 OUTLIER -70.47 -37.41 74.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.105 -0.952 . . . . 0.0 111.351 -179.652 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' TYR . . . . . 0.458 ' O ' ' HB3' ' B' ' 25' ' ' LYS . 86.0 t80 -69.54 -47.6 63.15 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-O 120.855 0.359 . . . . 0.0 110.596 -176.548 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.728 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 62.1 mt -60.3 -31.23 70.07 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.526 -178.095 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.5 -41.96 30.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.492 -178.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -107.18 19.32 20.54 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 112.378 0.511 . . . . 0.0 112.378 -171.1 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.458 ' HB3' ' O ' ' B' ' 21' ' ' TYR . 22.1 pttm -82.73 -13.38 56.43 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.857 0.36 . . . . 0.0 111.496 -177.051 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -103.03 14.43 31.93 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.149 0.499 . . . . 0.0 111.108 -172.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 37.6 t -110.93 108.44 25.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.139 179.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -91.17 155.46 18.59 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.397 178.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.75 7.32 86.06 Favored Glycine 0 N--CA 1.451 -0.336 0 N-CA-C 110.657 -0.977 . . . . 0.0 110.657 -174.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.21 152.89 47.53 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 114.683 -0.758 . . . . 0.0 109.589 -178.03 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -82.23 102.62 11.26 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 172.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . 0.459 ' O ' HG13 ' B' ' 36' ' ' ILE . 9.9 p -57.01 -35.38 47.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.227 0.537 . . . . 0.0 109.846 178.684 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . 0.75 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 0.9 OUTLIER -64.31 -50.24 77.37 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.615 0 CA-C-N 115.298 -0.865 . . . . 0.0 109.546 -179.356 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.661 ' HA ' HD11 ' B' ' 37' ' ' LEU . 6.3 tm-20 -65.81 -31.76 72.9 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 114.671 -1.15 . . . . 0.0 110.204 -174.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.51 -47.81 82.89 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.608 0.718 . . . . 0.0 109.96 173.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.511 ' O ' ' HG ' ' B' ' 40' ' ' LEU . 47.1 mt -67.08 -64.44 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.98 -179.148 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.75 ' HG ' ' O ' ' B' ' 33' ' ' VAL . 2.1 pp -66.34 -19.89 65.93 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 -167.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . 0.479 ' N ' HD12 ' B' ' 37' ' ' LEU . . . -88.53 -33.89 17.59 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 120.941 -0.304 . . . . 0.0 111.464 -179.691 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 -76.37 -29.85 57.33 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.024 -177.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' B' ' 36' ' ' ILE . 0.8 OUTLIER -107.11 80.58 1.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.663 0.744 . . . . 0.0 111.449 175.901 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 24.8 p-10 -88.9 38.15 0.87 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.977 0.894 . . . . 0.0 109.444 176.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -80.09 -25.2 40.12 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.342 -1.299 . . . . 0.0 109.684 177.629 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -127.09 123.71 23.58 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 115.219 -0.901 . . . . 0.0 109.778 178.603 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -79.25 101.29 1.41 Allowed 'Trans proline' 0 C--O 1.226 -0.107 0 C-N-CA 122.802 2.334 . . . . 0.0 111.349 175.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . 0.595 ' HB3' ' HG3' ' B' ' 49' ' ' GLN . 0.0 OUTLIER -137.27 176.05 9.05 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.572 0.701 . . . . 0.0 111.81 -174.124 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 6.5 t -84.3 170.32 13.78 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 114.76 -1.109 . . . . 0.0 109.236 170.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . 0.494 ' NH1' HD13 ' B' ' 37' ' ' LEU . 24.9 mmt180 -72.41 -27.59 62.44 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 -179.216 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.04 -33.68 67.45 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 114.922 -1.035 . . . . 0.0 111.756 178.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.595 ' HG3' ' HB3' ' B' ' 45' ' ' ARG . 28.9 mm-40 -62.95 -49.2 75.69 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-O 121.432 0.634 . . . . 0.0 110.01 -177.596 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.614 HG13 ' HB3' ' B' ' 37' ' ' LEU . 7.8 mm -60.49 -55.09 26.7 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.899 0 CA-C-N 114.398 -1.274 . . . . 0.0 110.856 -172.653 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 64.1 mt -56.48 -48.36 80.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 114.752 -1.113 . . . . 0.0 110.578 -178.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -64.86 -51.29 62.86 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 115.059 -0.973 . . . . 0.0 111.99 -173.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' HIS . . . . . 0.468 ' HB2' HD21 ' B' ' 17' ' ' LEU . 7.7 m-70 -61.25 -24.55 66.46 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 120.811 0.338 . . . . 0.0 111.391 -176.033 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . 0.494 HD22 HD11 ' B' ' 59' ' ' LEU . 35.7 mt -83.78 -50.28 8.27 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.988 -177.606 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 19.6 m -69.6 -32.88 54.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 120.956 0.408 . . . . 0.0 110.412 179.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -70.63 -26.54 63.52 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.745 177.012 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 6.6 ttp -78.96 0.24 28.33 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.297 0.57 . . . . 0.0 110.71 179.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 73.4 13.49 79.88 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.916 -0.659 . . . . 0.0 113.045 173.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.494 HD11 HD22 ' B' ' 54' ' ' LEU . 4.4 pp -97.26 -21.36 17.31 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.236 0.541 . . . . 0.0 109.735 175.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -121.95 168.43 11.92 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.234 176.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -80.31 -67.75 0.74 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.263 -0.426 . . . . 0.0 112.088 -175.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 61.6 m -164.81 178.41 7.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.725 -170.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 54.3 t -57.81 -28.85 33.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 121.698 0.761 . . . . 0.0 109.385 171.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 31.2 mtmm -61.81 -19.18 62.26 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 114.738 -1.119 . . . . 0.0 111.289 176.03 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -90.02 -20.91 22.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.949 0.404 . . . . 0.0 110.876 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' PHE . . . . . 0.404 ' HD1' HG22 ' B' ' 33' ' ' VAL . 15.9 m-85 . . . . . 0 C--N 1.329 -0.299 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 -173.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . 0.461 ' CG2' ' HD3' ' B' ' 113' ' ' ARG . 44.4 t . . . . . 0 N--CA 1.44 -0.934 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.17 80.29 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 121.547 0.689 . . . . 0.0 111.384 -179.254 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 76' ' ' TRP . . . . . 0.515 ' HA ' ' NE2' ' B' ' 80' ' ' GLN . 85.6 m95 -85.03 109.15 18.0 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.937 -175.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 17.9 p -104.85 172.34 6.84 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.262 173.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -53.73 -36.63 55.3 Favored Glycine 0 CA--C 1.518 0.223 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.456 -179.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . 0.609 ' O ' ' HG3' ' B' ' 83' ' ' GLU . 6.9 p-10 -72.66 -40.91 65.95 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.875 -0.163 . . . . 0.0 111.305 178.129 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 80' ' ' GLN . . . . . 0.515 ' NE2' ' HA ' ' B' ' 76' ' ' TRP . 0.1 OUTLIER -65.73 -39.4 91.1 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 120.926 0.393 . . . . 0.0 110.525 -178.388 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -64.64 -34.88 79.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.805 176.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -68.13 -41.8 81.13 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.609 179.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . 0.609 ' HG3' ' O ' ' B' ' 79' ' ' ASP . 67.2 mt-10 -53.47 -59.31 4.74 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-O 121.771 0.796 . . . . 0.0 110.666 179.114 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . 0.423 HD21 HG23 ' B' ' 114' ' ' ILE . 0.6 OUTLIER -72.04 -32.69 67.35 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 114.712 -1.131 . . . . 0.0 111.144 -171.758 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . 0.457 ' O ' ' HG3' ' B' ' 89' ' ' GLU . 0.0 OUTLIER -57.12 -49.81 74.76 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.771 0.319 . . . . 0.0 110.461 178.898 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 86' ' ' ARG . . . . . 0.434 ' N ' HE21 ' B' ' 85' ' ' GLN . 78.3 mtm180 -66.91 -47.69 70.97 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.246 -179.712 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 5.7 tp -62.5 -39.24 92.86 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.289 -174.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.476 ' O ' ' HB2' ' B' ' 92' ' ' ARG . 2.8 t80 -58.8 -44.93 90.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.065 178.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . 0.457 ' HG3' ' O ' ' B' ' 85' ' ' GLN . 35.7 mt-10 -68.12 -31.04 70.35 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.253 0.549 . . . . 0.0 110.52 179.117 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -70.87 -35.2 72.26 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.302 -174.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -112.56 15.06 20.22 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.729 0.3 . . . . 0.0 111.05 -178.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 92' ' ' ARG . . . . . 0.476 ' HB2' ' O ' ' B' ' 88' ' ' PHE . 70.0 ttt180 -68.09 -31.75 71.59 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.524 -175.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -92.85 24.73 3.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.32 0.581 . . . . 0.0 110.618 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 9.6 t -103.28 -176.43 3.08 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 177.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -82.53 -20.64 36.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.947 0.403 . . . . 0.0 110.385 -178.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -152.76 108.66 3.34 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.669 173.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 97' ' ' VAL . . . . . 0.523 ' O ' HG13 ' B' ' 101' ' ' ILE . 2.5 p -75.69 -42.5 41.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.855 -0.612 . . . . 0.0 111.657 -176.177 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . 0.473 HD12 HG13 ' B' ' 97' ' ' VAL . 8.7 mp -76.57 -31.15 57.36 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -172.679 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -63.7 -32.29 83.65 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.485 -0.864 . . . . 0.0 111.515 174.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -82.63 -29.99 29.71 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 101' ' ' ILE . . . . . 0.523 HG13 ' O ' ' B' ' 97' ' ' VAL . 51.6 mt -59.39 -55.19 25.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.055 174.091 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 102' ' ' MET . . . . . 0.432 ' O ' ' HE2' ' B' ' 108' ' ' LYS . 38.7 mtt -55.22 -44.09 75.09 Favored 'General case' 0 C--N 1.331 -0.228 0 O-C-N 123.354 0.409 . . . . 0.0 112.077 -177.695 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -72.35 -24.13 61.24 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -177.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -112.46 18.61 18.31 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.05 0.453 . . . . 0.0 111.426 -175.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 105' ' ' ILE . . . . . 0.453 HG13 ' N ' ' B' ' 106' ' ' THR . 11.2 tp -118.72 162.2 17.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.289 0.566 . . . . 0.0 111.135 -179.264 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 106' ' ' THR . . . . . 0.453 ' N ' HG13 ' B' ' 105' ' ' ILE . 9.3 t -81.71 -35.78 29.41 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.493 -176.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 107' ' ' ALA . . . . . 0.486 ' HB3' ' NH1' ' B' ' 109' ' ' ARG . . . -110.61 128.33 55.63 Favored 'General case' 0 CA--C 1.514 -0.442 0 C-N-CA 121.202 -0.199 . . . . 0.0 110.493 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 108' ' ' LYS . . . . . 0.432 ' HE2' ' O ' ' B' ' 102' ' ' MET . 1.0 OUTLIER -83.19 101.78 11.44 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 175.33 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 109' ' ' ARG . . . . . 0.486 ' NH1' ' HB3' ' B' ' 107' ' ' ALA . 8.4 ptt-85 -118.46 144.02 46.29 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.14 -178.408 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 110' ' ' SER . . . . . 0.452 ' O ' HG13 ' B' ' 114' ' ' ILE . 34.2 t -64.62 148.43 50.92 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.221 -171.227 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -66.86 -38.55 86.56 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.398 -176.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -60.83 -29.62 69.6 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.46 0.648 . . . . 0.0 109.862 176.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 113' ' ' ARG . . . . . 0.461 ' HD3' ' CG2' ' B' ' 74' ' ' VAL . 33.5 mtt180 -77.39 -42.48 36.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.209 176.129 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 114' ' ' ILE . . . . . 0.452 HG13 ' O ' ' B' ' 110' ' ' SER . 92.3 mt -60.77 -55.04 27.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.487 -0.778 . . . . 0.0 111.124 -178.713 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 115' ' ' VAL . . . . . 0.63 ' O ' HD23 ' B' ' 119' ' ' LEU . 20.0 m -62.36 -35.1 67.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.641 -177.372 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -66.13 -35.11 79.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.263 0.554 . . . . 0.0 110.428 177.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.27 -39.62 78.29 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.361 177.183 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . 0.414 HD21 ' CD1' ' B' ' 88' ' ' PHE . 5.4 mp -54.21 -45.91 72.34 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 121.239 0.543 . . . . 0.0 110.785 175.628 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 119' ' ' LEU . . . . . 0.63 HD23 ' O ' ' B' ' 115' ' ' VAL . 4.1 mm? -64.24 -28.61 69.85 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.012 -0.994 . . . . 0.0 111.102 -179.776 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -84.29 -33.05 24.06 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.69 -177.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 96.0 mt -74.74 -24.75 58.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.268 176.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 82.39 34.0 24.14 Favored Glycine 0 N--CA 1.441 -0.987 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.464 -176.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . 0.408 HD12 ' HG ' ' B' ' 118' ' ' LEU . 87.0 mt -80.09 -28.17 39.13 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-O 121.548 0.69 . . . . 0.0 109.241 178.474 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 124' ' ' VAL . . . . . 0.525 HG21 ' CD2' ' B' ' 130' ' ' LEU . 19.2 m -145.96 174.14 2.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 114.516 -1.22 . . . . 0.0 109.215 178.3 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -110.05 -8.07 14.86 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 121.13 0.49 . . . . 0.0 110.406 177.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 126' ' ' GLU . . . . . 0.551 ' CD ' ' HB3' ' B' ' 128' ' ' ARG . 17.2 pt-20 -162.73 172.56 15.08 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.153 -178.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 127' ' ' ARG . . . . . 0.742 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 12.0 mpt_? -76.08 -22.33 55.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.748 0.309 . . . . 0.0 111.229 178.641 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 128' ' ' ARG . . . . . 0.551 ' HB3' ' CD ' ' B' ' 126' ' ' GLU . 26.7 ttt-85 -59.51 -33.95 72.0 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -179.304 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -71.91 -9.29 58.14 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -175.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 130' ' ' LEU . . . . . 0.742 ' HG ' ' O ' ' B' ' 127' ' ' ARG . 0.1 OUTLIER -111.42 8.08 21.08 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.063 0.459 . . . . 0.0 110.948 179.022 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 131' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 . . . . . 0 C--N 1.326 -0.437 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 172.881 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' TRP . . . . . 0.497 ' CH2' HD13 ' B' ' 17' ' ' LEU . 52.4 m95 . . . . . 0 CA--C 1.519 -0.242 0 CA-C-O 121.156 0.503 . . . . 0.0 111.874 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' SER . . . . . 0.543 ' OG ' ' HB2' ' B' ' 13' ' ' GLU . 16.3 p -87.24 160.97 47.57 Favored Pre-proline 0 C--N 1.32 -0.698 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.645 173.69 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_exo -53.46 -39.94 80.29 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.778 2.319 . . . . 0.0 112.802 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -76.38 -15.71 59.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.019 -179.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.543 ' HB2' ' OG ' ' B' ' 10' ' ' SER . 24.2 tt0 -84.85 -49.71 8.17 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.074 -175.706 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . 0.485 ' O ' ' HB3' ' B' ' 17' ' ' LEU . 45.7 mt-10 -58.83 -37.21 75.93 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.371 177.451 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . 0.408 ' O ' ' HB2' ' B' ' 19' ' ' GLU . . . -68.13 -40.64 82.43 Favored 'General case' 0 C--O 1.216 -0.687 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.899 178.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.444 ' HA ' ' HB3' ' B' ' 19' ' ' GLU . 5.8 t-160 -64.98 -31.59 72.91 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 178.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.497 HD13 ' CH2' ' B' ' 9' ' ' TRP . 30.7 tp -57.26 -56.13 25.79 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.005 177.03 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . 0.764 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 12.4 ptt180 -74.02 -31.14 62.79 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.93 178.51 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . 0.444 ' HB3' ' HA ' ' B' ' 16' ' ' HIS . 12.2 tp10 -51.37 -48.94 62.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.687 0.756 . . . . 0.0 110.207 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.576 HD13 ' HA ' ' B' ' 36' ' ' ILE . 0.7 OUTLIER -75.08 -28.38 60.28 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.706 -1.134 . . . . 0.0 111.274 -178.434 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -69.73 -50.13 46.47 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.133 0.492 . . . . 0.0 109.873 178.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.764 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 34.7 mt -64.33 -23.46 67.3 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.66 -176.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.07 -35.46 56.59 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.923 178.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -116.95 13.41 14.9 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -171.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.426 ' HD2' ' HA ' ' B' ' 22' ' ' LEU . 21.8 ptmt -73.01 -13.74 61.29 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.812 0.339 . . . . 0.0 111.496 -178.274 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -118.38 9.02 12.29 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.037 0.446 . . . . 0.0 110.302 178.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 63.0 t -100.08 108.72 23.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.452 -178.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -99.1 157.59 16.25 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.124 178.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.07 -0.79 69.55 Favored Glycine 0 N--CA 1.451 -0.339 0 N-CA-C 110.29 -1.124 . . . . 0.0 110.29 -172.091 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . 0.563 ' NE2' ' HB2' ' B' ' 35' ' ' ALA . 6.7 tt0 -147.04 143.94 28.74 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.075 -1.063 . . . . 0.0 108.294 177.662 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -75.3 126.63 31.42 Favored 'General case' 0 C--N 1.317 -0.809 0 C-N-CA 120.335 -0.546 . . . . 0.0 109.8 174.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . 0.52 ' O ' HG13 ' B' ' 36' ' ' ILE . 9.8 p -60.48 -36.59 70.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 173.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . 0.8 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 1.6 t -58.81 -59.59 3.52 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 CA-C-N 115.262 -0.881 . . . . 0.0 109.768 177.347 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -54.54 -38.28 66.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.261 -0.882 . . . . 0.0 110.912 -177.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . 0.563 ' HB2' ' NE2' ' B' ' 30' ' ' GLN . . . -58.01 -49.79 75.63 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.151 0.501 . . . . 0.0 110.459 177.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.576 ' HA ' HD13 ' B' ' 20' ' ' LEU . 39.6 mt -67.42 -53.75 29.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.588 -179.511 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.8 ' HG ' ' O ' ' B' ' 33' ' ' VAL . 14.8 mt -51.4 -40.53 59.46 Favored 'General case' 0 N--CA 1.468 0.442 0 O-C-N 123.624 0.578 . . . . 0.0 111.2 -176.201 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -89.38 -44.69 10.02 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 113.45 0.907 . . . . 0.0 113.45 -171.118 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' HIS . . . . . 0.523 ' HB2' HD11 ' B' ' 20' ' ' LEU . 84.9 m-70 -75.66 -11.48 60.01 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.581 0.585 . . . . 0.0 112.581 -168.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.569 ' HG ' ' O ' ' B' ' 36' ' ' ILE . 0.8 OUTLIER -104.16 80.64 1.74 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 122.081 0.943 . . . . 0.0 110.183 169.651 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 28.5 p-10 -83.0 42.04 0.78 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.241 -0.891 . . . . 0.0 110.323 -178.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 11.9 t -104.41 1.2 29.85 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.512 -177.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . 0.829 HG21 ' CZ ' ' B' ' 45' ' ' ARG . 7.2 p -157.22 129.96 4.34 Favored Pre-proline 0 N--CA 1.449 -0.477 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 -171.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -85.78 89.85 0.74 Allowed 'Trans proline' 0 N--CA 1.454 -0.809 0 C-N-CA 122.816 2.344 . . . . 0.0 111.446 166.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . 0.829 ' CZ ' HG21 ' B' ' 43' ' ' VAL . 0.6 OUTLIER -132.22 160.63 35.59 Favored 'General case' 0 CA--C 1.512 -0.504 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 177.39 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 5.1 t -69.4 148.84 49.07 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 177.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . 0.457 ' HD2' ' HB3' ' B' ' 37' ' ' LEU . 13.4 mmt180 -61.37 -24.93 66.82 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.334 0.588 . . . . 0.0 110.415 -176.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -59.88 -33.63 72.08 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.792 -1.095 . . . . 0.0 111.421 179.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -64.79 -49.81 69.23 Favored 'General case' 0 CA--C 1.52 -0.191 0 C-N-CA 121.025 -0.27 . . . . 0.0 111.039 -177.146 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 2.0 mp -53.33 -52.84 27.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 O-C-N 123.313 0.383 . . . . 0.0 110.867 -178.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.5 HG23 ' CG ' ' B' ' 66' ' ' PHE . 82.6 mt -54.91 -49.62 68.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.378 0.609 . . . . 0.0 111.124 179.267 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' HIS . . . . . 0.403 ' HB3' ' NE2' ' B' ' 56' ' ' GLN . 2.3 m-70 -60.3 -43.81 95.98 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.96 -176.603 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' HIS . . . . . 0.443 ' HB2' HD21 ' B' ' 17' ' ' LEU . 51.1 m-70 -72.0 -25.09 61.69 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.904 -0.318 . . . . 0.0 111.362 -175.275 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . 0.506 HD11 HD13 ' B' ' 36' ' ' ILE . 51.1 mt -71.46 -52.64 17.34 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.946 0.879 . . . . 0.0 110.016 176.363 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . 0.52 ' HA ' ' HB3' ' B' ' 60' ' ' ALA . 2.4 t -65.44 -35.04 74.36 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.214 0 CA-C-N 114.275 -1.33 . . . . 0.0 110.562 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' GLN . . . . . 0.403 ' NE2' ' HB3' ' B' ' 52' ' ' HIS . 22.9 mt-30 -73.16 -19.3 61.15 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.685 177.546 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.524 ' SD ' ' HD3' ' B' ' 18' ' ' ARG . 31.5 ttm -88.0 -1.53 58.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.078 0.466 . . . . 0.0 110.609 -178.037 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 85.11 -2.91 88.0 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 121.043 -0.599 . . . . 0.0 112.798 177.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.444 HD11 ' CD2' ' B' ' 54' ' ' LEU . 4.3 pp -89.8 -10.61 44.81 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.391 0.615 . . . . 0.0 110.213 -179.595 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . 0.52 ' HB3' ' HA ' ' B' ' 55' ' ' VAL . . . -134.02 154.6 51.03 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.313 174.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -82.34 -57.0 3.56 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -174.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 21.2 t -163.71 167.41 21.07 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.781 0.324 . . . . 0.0 110.738 -176.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 61.7 t -64.56 -17.08 20.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.566 175.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 12.0 pttm -54.69 -36.29 64.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 122.109 0.957 . . . . 0.0 110.677 177.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -86.59 -16.56 36.41 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 113.804 -1.544 . . . . 0.0 110.182 -172.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' PHE . . . . . 0.5 ' CG ' HG23 ' B' ' 51' ' ' ILE . 37.8 m-85 . . . . . 0 C--N 1.326 -0.454 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.811 -178.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . 0.494 ' HB ' HH11 ' B' ' 113' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.447 -0.621 0 N-CA-C 107.899 -1.149 . . . . 0.0 107.899 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.48 ' O ' ' HG ' ' B' ' 75' ' ' LEU . 0.6 OUTLIER -48.22 102.78 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.615 0.721 . . . . 0.0 112.047 -171.072 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 76' ' ' TRP . . . . . . . . . . . . . 60.1 m95 -97.42 115.74 28.31 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.486 -176.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 43.4 p -102.53 172.43 6.87 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.32 -0.855 . . . . 0.0 108.999 171.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -64.11 -30.93 79.16 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.486 -0.864 . . . . 0.0 111.6 176.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -76.1 -46.2 30.13 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.775 -0.212 . . . . 0.0 111.127 -178.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -68.45 -25.14 64.86 Favored 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 120.347 -0.541 . . . . 0.0 109.614 178.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -61.34 -47.55 85.37 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.64 174.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 24.7 tp -64.4 -41.04 96.86 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.511 177.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.64 -55.71 23.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.243 177.215 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . 0.426 HD23 ' NH2' ' B' ' 109' ' ' ARG . 3.1 tm? -62.68 -39.36 93.71 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.07 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -57.77 -55.52 33.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.809 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 23.2 mtp180 -66.39 -45.81 78.77 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.688 0.28 . . . . 0.0 111.613 -179.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 8.3 tp -60.04 -44.18 94.83 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.622 -175.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.621 ' O ' ' HG3' ' B' ' 92' ' ' ARG . 6.6 t80 -52.25 -51.15 60.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.019 177.368 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -60.88 -46.29 91.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.052 0.453 . . . . 0.0 111.191 -179.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -70.89 -19.96 62.55 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.419 -171.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -107.1 6.47 28.91 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 177.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 92' ' ' ARG . . . . . 0.621 ' HG3' ' O ' ' B' ' 88' ' ' PHE . 53.0 mtm180 -68.04 -19.05 64.85 Favored 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 169.493 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -80.97 -1.26 43.02 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 113.723 -1.581 . . . . 0.0 110.647 -178.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 27.2 m -104.85 -175.56 2.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.793 -179.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -81.35 -21.35 39.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.078 0.466 . . . . 0.0 111.119 -178.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -154.01 108.33 3.04 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 175.045 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 97' ' ' VAL . . . . . 0.68 ' O ' HG13 ' B' ' 101' ' ' ILE . 1.3 p -62.72 -43.33 98.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.23 -177.235 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . 0.587 HD12 HG13 ' B' ' 97' ' ' VAL . 8.4 mp -76.93 -36.86 56.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.633 0.254 . . . . 0.0 111.202 -176.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 99' ' ' GLY . . . . . 0.625 ' O ' ' HD3' ' B' ' 103' ' ' LYS . . . -61.47 -33.07 83.41 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.743 -0.741 . . . . 0.0 111.296 175.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -84.78 -26.31 27.62 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 178.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 101' ' ' ILE . . . . . 0.68 HG13 ' O ' ' B' ' 97' ' ' VAL . 39.7 mt -58.76 -55.07 25.47 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.303 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 172.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 102' ' ' MET . . . . . 0.402 ' CE ' ' HA ' ' B' ' 110' ' ' SER . 26.5 mtt -56.68 -50.3 72.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.107 -0.497 . . . . 0.0 112.134 -177.333 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 103' ' ' LYS . . . . . 0.625 ' HD3' ' O ' ' B' ' 99' ' ' GLY . 0.8 OUTLIER -70.07 -18.76 63.29 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.629 -173.9 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 46.9 m-80 -117.48 15.64 14.68 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.884 -179.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 105' ' ' ILE . . . . . 0.604 HG13 ' H ' ' B' ' 107' ' ' ALA . 9.0 tp -110.45 159.29 10.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.423 0.63 . . . . 0.0 111.539 -177.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 2.0 t -94.24 -19.18 20.96 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.859 -1.064 . . . . 0.0 110.346 -179.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 107' ' ' ALA . . . . . 0.604 ' H ' HG13 ' B' ' 105' ' ' ILE . . . -92.24 144.52 25.32 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.719 -176.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 108' ' ' LYS . . . . . 0.441 ' HA ' ' HE2' ' B' ' 108' ' ' LYS . 7.5 mmpt? -80.12 100.79 8.4 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 169.05 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 109' ' ' ARG . . . . . 0.426 ' NH2' HD23 ' B' ' 84' ' ' LEU . 5.4 ttp180 -130.83 121.25 24.97 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.597 -0.728 . . . . 0.0 109.69 -173.031 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 110' ' ' SER . . . . . 0.41 ' H ' ' NE ' ' B' ' 113' ' ' ARG . 99.1 p -94.22 164.53 13.01 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.371 -176.558 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 111' ' ' ARG . . . . . 0.486 ' O ' HG13 ' B' ' 115' ' ' VAL . 21.8 mmm-85 -56.54 -48.99 76.1 Favored 'General case' 0 N--CA 1.464 0.23 0 O-C-N 123.333 0.395 . . . . 0.0 111.471 -172.186 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -58.93 -36.88 75.49 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 -174.138 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 113' ' ' ARG . . . . . 0.494 HH11 ' HB ' ' B' ' 74' ' ' VAL . 11.0 ptt180 -86.87 -20.19 27.81 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.488 -0.485 . . . . 0.0 111.559 -177.163 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 88.4 mt -74.62 -45.41 45.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.07 0.462 . . . . 0.0 109.982 174.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 115' ' ' VAL . . . . . 0.591 ' O ' HD23 ' B' ' 119' ' ' LEU . 15.0 m -66.64 -34.54 70.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.799 -178.014 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -66.85 -31.08 71.46 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.231 -0.441 . . . . 0.0 109.921 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 53.6 tptt -70.48 -40.98 73.32 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.88 177.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . 0.403 HD12 HD13 ' B' ' 130' ' ' LEU . 21.1 mt -57.23 -48.59 78.43 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-O 121.35 0.595 . . . . 0.0 110.477 178.262 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 119' ' ' LEU . . . . . 0.591 HD23 ' O ' ' B' ' 115' ' ' VAL . 4.4 mm? -61.33 -30.87 70.77 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.684 -1.144 . . . . 0.0 110.839 -178.615 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -72.31 -39.53 68.17 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.76 -179.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 10.2 mp -75.5 -25.28 57.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.946 175.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 84.42 31.65 24.41 Favored Glycine 0 N--CA 1.444 -0.797 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.438 -174.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . 0.5 HD13 ' CD2' ' B' ' 88' ' ' PHE . 92.9 mt -76.72 -28.82 55.97 Favored 'General case' 0 CA--C 1.512 -0.493 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 179.588 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 124' ' ' VAL . . . . . 0.62 HG21 ' CD2' ' B' ' 130' ' ' LEU . 20.3 m -144.16 171.89 6.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 114.373 -1.285 . . . . 0.0 109.704 175.147 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -112.78 -11.06 13.54 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.938 179.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 126' ' ' GLU . . . . . 0.416 ' O ' HD21 ' B' ' 130' ' ' LEU . 11.6 pt-20 -153.9 167.03 31.09 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.159 -179.468 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 127' ' ' ARG . . . . . 0.734 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 1.2 mpp_? -80.02 -26.52 39.78 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -175.504 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 128' ' ' ARG . . . . . . . . . . . . . 15.1 ttp180 -60.47 -38.95 85.84 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 -176.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -70.74 -7.27 43.65 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 -170.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 130' ' ' LEU . . . . . 0.734 ' HG ' ' O ' ' B' ' 127' ' ' ARG . 0.0 OUTLIER -104.49 16.11 26.77 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.158 0.504 . . . . 0.0 110.642 177.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 131' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 . . . . . 0 C--N 1.325 -0.496 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 173.764 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' TRP . . . . . 0.427 ' CH2' HD13 ' B' ' 17' ' ' LEU . 93.1 m95 . . . . . 0 CA--C 1.516 -0.351 0 CA-C-O 121.24 0.543 . . . . 0.0 110.756 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 34.8 p -138.74 151.42 68.57 Favored Pre-proline 0 C--N 1.317 -0.809 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 175.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -42.02 -42.7 7.07 Favored 'Trans proline' 0 CA--C 1.531 0.369 0 C-N-CA 123.388 2.726 . . . . 0.0 113.471 178.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' B' ' 13' ' ' GLU . 8.8 pt-20 -66.35 -41.89 88.86 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.277 -179.728 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.409 ' N ' ' HG3' ' B' ' 12' ' ' GLU . 8.9 tp10 -77.45 -31.78 54.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.801 0.334 . . . . 0.0 110.589 -176.251 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -67.48 -37.4 82.84 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.021 0.438 . . . . 0.0 110.004 176.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.28 -28.88 69.64 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.033 174.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.51 ' HA ' ' CB ' ' B' ' 19' ' ' GLU . 11.9 t-160 -77.99 -29.36 49.58 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.387 177.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.49 HD11 HG23 ' B' ' 50' ' ' ILE . 38.9 tp -63.22 -47.67 81.53 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 176.4 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . 0.756 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 13.4 ptt180 -77.79 -24.86 48.74 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.698 176.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . 0.51 ' CB ' ' HA ' ' B' ' 16' ' ' HIS . 10.2 tp10 -52.45 -53.09 50.11 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.664 0.745 . . . . 0.0 109.98 177.678 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.453 HD13 ' HA ' ' B' ' 36' ' ' ILE . 0.3 OUTLIER -71.73 -29.0 64.06 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.965 -1.016 . . . . 0.0 111.044 -178.933 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' TYR . . . . . 0.413 ' CD2' HD13 ' B' ' 59' ' ' LEU . 90.7 t80 -67.6 -54.25 21.33 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-O 121.292 0.568 . . . . 0.0 109.559 178.379 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.756 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 39.4 mt -62.17 -24.52 67.23 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.067 -0.969 . . . . 0.0 110.854 -177.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.19 -27.63 42.61 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -178.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 49.4 m-80 -124.0 12.13 8.99 Favored 'General case' 0 N--CA 1.461 0.121 0 N-CA-C 112.289 0.477 . . . . 0.0 112.289 -175.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 13.3 ptmm? -79.16 -14.51 59.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.022 0.439 . . . . 0.0 110.838 -179.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -99.52 6.69 45.8 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.542 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 42.6 t -102.56 107.65 22.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -80.7 142.65 33.68 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.324 -178.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.88 21.51 63.27 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.714 -0.755 . . . . 0.0 111.856 -178.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . 0.541 ' OE1' ' HB2' ' B' ' 35' ' ' ALA . 0.9 OUTLIER -138.48 132.04 30.63 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 178.026 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -73.02 95.12 1.97 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.213 178.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . 0.495 ' O ' HG13 ' B' ' 36' ' ' ILE . 9.4 p -56.69 -30.84 33.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 109.452 -0.574 . . . . 0.0 109.452 177.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . 0.665 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 3.3 t -54.37 -59.43 2.17 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 CA-C-N 115.087 -0.961 . . . . 0.0 109.952 177.168 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.534 ' HA ' ' CD1' ' B' ' 37' ' ' LEU . 45.1 mt-10 -72.46 -27.51 62.35 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.695 -178.587 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . 0.541 ' HB2' ' OE1' ' B' ' 30' ' ' GLN . . . -53.82 -45.43 70.84 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.42 0.629 . . . . 0.0 109.384 173.014 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.571 ' O ' ' HG ' ' B' ' 40' ' ' LEU . 48.5 mt -73.2 -64.96 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.794 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.863 -178.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.665 ' HG ' ' O ' ' B' ' 33' ' ' VAL . 3.0 pp -65.5 -20.32 66.3 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 -169.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . 0.47 ' HB3' ' O ' ' B' ' 34' ' ' GLU . . . -89.77 -27.48 19.99 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 178.531 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 19.4 m-70 -87.48 -29.69 21.2 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.393 -0.523 . . . . 0.0 112.214 -176.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.571 ' HG ' ' O ' ' B' ' 36' ' ' ILE . 0.6 OUTLIER -97.35 87.83 4.25 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 119.731 -0.788 . . . . 0.0 111.845 179.301 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -83.96 40.39 0.75 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.899 0.856 . . . . 0.0 109.187 178.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . 0.526 HG22 ' HB2' ' B' ' 40' ' ' LEU . 4.7 t -97.64 -12.57 22.28 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.315 177.508 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . 0.4 ' HB ' ' HG3' ' B' ' 45' ' ' ARG . 4.1 m -144.13 112.7 5.23 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.262 -177.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -71.07 94.69 0.65 Allowed 'Trans proline' 0 C--O 1.233 0.273 0 C-N-CA 122.285 1.99 . . . . 0.0 111.082 173.194 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . 0.4 ' HG3' ' HB ' ' B' ' 43' ' ' VAL . 91.3 mtt-85 -133.96 177.57 7.63 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-O 121.165 0.507 . . . . 0.0 112.262 -171.763 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 12.6 t -108.29 166.53 10.69 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.345 -178.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . 0.406 ' HA ' HD22 ' B' ' 37' ' ' LEU . 9.9 mpt_? -54.95 -54.53 41.64 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 120.773 0.321 . . . . 0.0 111.372 -177.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 24.8 ttpt -51.17 -32.52 23.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.694 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -69.34 -54.87 12.36 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.801 -172.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.49 HG23 HD11 ' B' ' 17' ' ' LEU . 1.7 mp -59.82 -48.98 85.58 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 CA-C-O 120.603 0.239 . . . . 0.0 110.412 178.706 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.503 HG23 ' CG ' ' B' ' 66' ' ' PHE . 78.6 mt -52.96 -48.17 52.18 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.142 -178.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -59.33 -43.13 92.75 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.321 -0.854 . . . . 0.0 112.537 -174.176 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' HIS . . . . . 0.528 ' O ' ' HB2' ' B' ' 57' ' ' MET . 9.6 m-70 -73.12 -23.05 60.45 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.985 0.421 . . . . 0.0 110.88 -174.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . 0.471 ' HB3' HD11 ' B' ' 59' ' ' LEU . 48.5 mt -76.89 -50.59 12.98 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.559 -178.241 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . 0.488 ' HA ' ' HB3' ' B' ' 60' ' ' ALA . 10.7 m -68.49 -26.77 34.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.159 0.504 . . . . 0.0 110.301 179.193 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -79.85 -17.29 53.61 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.962 176.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.528 ' HB2' ' O ' ' B' ' 53' ' ' HIS . 26.2 ttm -87.24 -2.83 58.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.114 0.483 . . . . 0.0 110.728 -179.478 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 85.13 -2.39 88.26 Favored Glycine 0 CA--C 1.511 -0.197 0 C-N-CA 121.06 -0.59 . . . . 0.0 112.517 174.302 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.471 HD11 ' HB3' ' B' ' 54' ' ' LEU . 3.5 pp -85.23 -15.34 43.86 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.07 0.462 . . . . 0.0 110.57 -179.375 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . 0.488 ' HB3' ' HA ' ' B' ' 55' ' ' VAL . . . -127.19 167.41 16.1 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.019 173.41 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -81.94 -65.84 0.96 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.899 0.38 . . . . 0.0 110.477 177.03 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 41.5 m -148.71 170.95 17.03 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.433 -174.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' VAL . . . . . 0.477 HG13 HG21 ' B' ' 51' ' ' ILE . 78.4 t -60.39 -25.53 34.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.549 176.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 18.3 pttm -53.13 -37.68 62.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.635 -0.712 . . . . 0.0 111.497 -179.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -66.38 -24.22 66.45 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.077 -0.965 . . . . 0.0 111.507 -178.08 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' PHE . . . . . 0.536 ' CD1' HG22 ' B' ' 33' ' ' VAL . 2.2 m-85 . . . . . 0 C--N 1.325 -0.487 0 CA-C-O 121.515 0.674 . . . . 0.0 109.803 178.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 29.5 m . . . . . 0 N--CA 1.439 -1.0 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.92 88.58 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 113.018 0.747 . . . . 0.0 113.018 -171.192 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 76' ' ' TRP . . . . . 0.585 ' CZ3' ' HG2' ' B' ' 80' ' ' GLN . 52.5 m95 -85.55 108.79 18.11 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.349 0.595 . . . . 0.0 111.086 -177.626 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 53.1 p -114.71 177.12 4.76 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.32 175.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -61.39 -31.6 77.96 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.499 -0.858 . . . . 0.0 111.303 173.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -70.56 -53.99 13.88 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.66 -0.27 . . . . 0.0 110.307 178.015 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 80' ' ' GLN . . . . . 0.592 ' HG3' ' NH2' ' B' ' 109' ' ' ARG . 29.0 tt0 -66.85 -32.57 73.94 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.148 -176.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -60.04 -41.28 91.93 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 176.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . 0.508 ' O ' ' HG3' ' B' ' 86' ' ' ARG . 25.1 tp -67.78 -43.27 80.15 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.433 176.569 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -51.43 -47.78 62.9 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.047 0.451 . . . . 0.0 110.471 178.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . 0.42 HD11 HG23 ' B' ' 114' ' ' ILE . 50.0 tp -59.93 -52.47 65.27 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.561 178.671 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . 0.455 ' O ' ' HG3' ' B' ' 89' ' ' GLU . 28.9 tt0 -56.96 -50.62 72.08 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 123.767 0.667 . . . . 0.0 111.693 -175.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 86' ' ' ARG . . . . . 0.508 ' HG3' ' O ' ' B' ' 82' ' ' LEU . 76.5 mtp180 -55.56 -53.05 61.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.467 -177.349 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 87' ' ' LEU . . . . . 0.433 HD21 HD22 ' B' ' 104' ' ' ASN . 9.6 mp -63.8 -39.46 94.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.771 0.32 . . . . 0.0 110.879 179.261 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.625 ' O ' ' HB2' ' B' ' 92' ' ' ARG . 11.9 t80 -54.45 -48.34 71.85 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.774 176.371 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . 0.455 ' HG3' ' O ' ' B' ' 85' ' ' GLN . 48.2 mt-10 -66.04 -39.72 90.39 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.25 0.547 . . . . 0.0 110.996 179.078 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -71.79 -35.62 70.06 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.749 -0.659 . . . . 0.0 112.473 -170.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -112.3 18.04 18.91 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.922 0.391 . . . . 0.0 111.03 -177.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 92' ' ' ARG . . . . . 0.625 ' HB2' ' O ' ' B' ' 88' ' ' PHE . 45.8 ttp180 -68.92 -33.52 73.87 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.654 -174.45 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -77.18 18.37 0.39 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.462 -0.79 . . . . 0.0 112.264 -177.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 89.2 p -104.59 177.88 4.72 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 176.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -74.1 -27.64 60.97 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.17 0.51 . . . . 0.0 110.321 -179.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -143.32 101.07 3.74 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.853 179.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 97' ' ' VAL . . . . . 0.483 ' O ' HG13 ' B' ' 101' ' ' ILE . 7.8 p -75.14 -34.44 31.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.475 -176.773 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . 0.426 ' O ' ' HG2' ' B' ' 102' ' ' MET . 5.9 mp -65.88 -38.02 87.67 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.543 0.571 . . . . 0.0 112.543 -172.469 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -60.74 -34.52 87.06 Favored Glycine 0 C--O 1.226 -0.399 0 C-N-CA 120.727 -0.749 . . . . 0.0 111.852 179.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -75.28 -25.87 58.31 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.938 0.399 . . . . 0.0 109.96 179.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 101' ' ' ILE . . . . . 0.483 HG13 ' O ' ' B' ' 97' ' ' VAL . 71.7 mt -69.91 -64.46 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.774 178.674 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 102' ' ' MET . . . . . 0.426 ' HG2' ' O ' ' B' ' 98' ' ' LEU . 5.9 ptp -63.89 -21.57 66.52 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.103 -0.499 . . . . 0.0 112.183 -174.213 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 5.9 mptp? -86.07 -33.27 21.01 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 104' ' ' ASN . . . . . 0.433 HD22 HD21 ' B' ' 87' ' ' LEU . 8.5 t30 -93.23 -19.5 21.35 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.607 -175.436 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 105' ' ' ILE . . . . . 0.548 HG12 ' NH2' ' B' ' 109' ' ' ARG . 11.1 tp -91.17 152.08 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.179 0.514 . . . . 0.0 110.829 -179.083 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 7.1 t -72.31 -31.04 65.34 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.196 -0.911 . . . . 0.0 111.567 -175.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 107' ' ' ALA . . . . . 0.417 ' O ' HG23 ' B' ' 105' ' ' ILE . . . -86.93 127.52 35.06 Favored 'General case' 0 CA--C 1.515 -0.37 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.052 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 108' ' ' LYS . . . . . 0.43 ' HA ' ' HE2' ' B' ' 108' ' ' LYS . 11.1 mmpt? -82.15 100.74 10.0 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.483 0.659 . . . . 0.0 109.311 178.728 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 109' ' ' ARG . . . . . 0.592 ' NH2' ' HG3' ' B' ' 80' ' ' GLN . 33.9 mtt180 -110.84 132.4 54.23 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.223 -0.899 . . . . 0.0 108.79 -178.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 32.6 t -85.59 167.09 15.69 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.967 -174.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 111' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' B' ' 111' ' ' ARG . 10.1 mmt180 -57.71 -53.58 56.62 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 -173.162 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.03 -26.44 64.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.124 0.488 . . . . 0.0 111.335 -178.022 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 113' ' ' ARG . . . . . 0.543 ' HD2' ' HE1' ' B' ' 76' ' ' TRP . 6.6 tpp180 -85.88 -35.63 20.46 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.913 -177.651 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 114' ' ' ILE . . . . . 0.42 HG23 HD11 ' B' ' 84' ' ' LEU . 86.1 mt -72.42 -47.34 52.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.421 177.069 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 115' ' ' VAL . . . . . 0.55 ' O ' HD23 ' B' ' 119' ' ' LEU . 36.0 m -61.72 -40.6 87.39 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-O 120.921 0.391 . . . . 0.0 110.884 -178.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -64.24 -36.2 83.32 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.631 -178.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 55.3 tptt -71.7 -38.07 70.58 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.074 -177.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . 0.625 HD22 HD12 ' B' ' 123' ' ' LEU . 18.1 mt -57.42 -47.37 81.94 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-O 121.189 0.519 . . . . 0.0 110.398 175.603 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 119' ' ' LEU . . . . . 0.55 HD23 ' O ' ' B' ' 115' ' ' VAL . 4.5 mm? -63.19 -32.76 74.23 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.102 -0.953 . . . . 0.0 111.069 -178.749 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -84.12 -24.1 30.42 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.148 -177.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 48.8 tp -92.76 -13.13 29.68 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.457 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 78.11 34.92 35.93 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.555 178.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . 0.625 HD12 HD22 ' B' ' 118' ' ' LEU . 42.5 mt -84.79 -24.03 28.89 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.261 0.553 . . . . 0.0 110.023 177.481 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 124' ' ' VAL . . . . . 0.542 HG21 HD21 ' B' ' 130' ' ' LEU . 14.0 m -146.46 -176.32 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.215 -179.215 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -116.16 -6.79 11.89 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.266 179.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -175.36 171.98 2.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.019 -174.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 127' ' ' ARG . . . . . 0.736 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 8.9 mpt_? -78.17 -20.46 51.92 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.7 0.286 . . . . 0.0 111.262 178.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 128' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' B' ' 128' ' ' ARG . 4.5 ttm180 -59.32 -36.3 75.38 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.305 0.574 . . . . 0.0 110.916 -178.337 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -78.63 -7.57 57.76 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.298 -0.864 . . . . 0.0 112.3 -171.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 130' ' ' LEU . . . . . 0.736 ' HG ' ' O ' ' B' ' 127' ' ' ARG . 0.4 OUTLIER -83.48 -10.06 58.59 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.662 0.744 . . . . 0.0 109.914 -176.014 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 131' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 . . . . . 0 C--N 1.317 -0.834 0 CA-C-N 115.1 -0.955 . . . . 0.0 109.011 -175.227 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' TRP . . . . . 0.555 ' CE3' ' HG2' ' B' ' 13' ' ' GLU . 81.6 m95 . . . . . 0 C--O 1.237 0.415 0 CA-C-O 121.402 0.62 . . . . 0.0 111.936 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 12.2 m -79.18 156.37 76.55 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.773 176.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -50.77 -47.01 27.11 Favored 'Trans proline' 0 CA--C 1.531 0.364 0 C-N-CA 122.694 2.263 . . . . 0.0 112.663 178.03 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -67.12 -29.29 68.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.941 0.4 . . . . 0.0 110.567 178.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.555 ' HG2' ' CE3' ' B' ' 9' ' ' TRP . 22.9 tt0 -72.88 -40.37 65.65 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.354 -174.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -71.82 -32.19 67.32 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 120.829 0.347 . . . . 0.0 110.727 175.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . 0.415 ' O ' ' HG2' ' B' ' 18' ' ' ARG . . . -68.4 -45.14 73.47 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.831 0.348 . . . . 0.0 110.14 175.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.473 ' HA ' ' HB3' ' B' ' 19' ' ' GLU . 21.8 t-160 -60.56 -27.08 67.41 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 123.351 0.66 . . . . 0.0 110.426 173.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.554 HD11 HG23 ' B' ' 50' ' ' ILE . 15.5 tp -67.9 -46.04 72.72 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 -179.683 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . 0.739 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 33.6 ptt180 -78.06 -29.42 49.25 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 176.194 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . 0.473 ' HB3' ' HA ' ' B' ' 16' ' ' HIS . 15.7 tp10 -50.57 -52.36 39.68 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.746 0.784 . . . . 0.0 110.155 177.398 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.96 -32.26 69.07 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.751 -1.113 . . . . 0.0 111.164 -179.013 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' TYR . . . . . 0.423 ' HA ' HD11 ' B' ' 36' ' ' ILE . 87.2 t80 -70.18 -50.8 36.53 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.218 -177.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.739 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 63.1 mt -58.18 -30.28 66.3 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.693 -177.683 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.36 -47.07 36.48 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.695 -0.684 . . . . 0.0 112.183 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 46.8 m-80 -108.04 16.05 23.75 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -172.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 14.6 ptmm? -75.46 -20.46 58.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.79 0.329 . . . . 0.0 111.321 -178.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -101.19 10.04 41.26 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.145 0.497 . . . . 0.0 110.751 -176.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 41.8 t -92.67 107.91 19.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.858 179.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -92.86 150.13 20.81 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.169 -178.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.71 21.21 60.14 Favored Glycine 0 N--CA 1.449 -0.446 0 N-CA-C 110.18 -1.168 . . . . 0.0 110.18 -172.21 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -142.81 151.02 40.73 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 114.795 -0.703 . . . . 0.0 110.217 -174.559 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . 0.502 ' HB2' ' HB3' ' B' ' 34' ' ' GLU . 9.8 m-20 -88.98 102.61 15.25 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 173.655 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . 0.612 ' O ' HG12 ' B' ' 36' ' ' ILE . 9.8 p -58.67 -43.85 88.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.803 -176.022 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . 0.821 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 13.5 p -68.38 -35.43 70.75 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.594 0 C-N-CA 121.094 -0.242 . . . . 0.0 110.462 -176.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.502 ' HB3' ' HB2' ' B' ' 31' ' ' ASP . 35.0 tt0 -58.79 -46.11 88.32 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 175.249 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.75 -36.9 70.31 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.697 176.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.612 HG12 ' O ' ' B' ' 32' ' ' VAL . 7.0 mm -71.6 -63.69 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.037 179.691 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.821 ' HG ' ' O ' ' B' ' 33' ' ' VAL . 6.0 mt -48.37 -42.18 30.97 Favored 'General case' 0 N--CA 1.477 0.878 0 O-C-N 124.001 0.813 . . . . 0.0 111.902 -174.338 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.59 -25.16 22.62 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 -168.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 44.8 m-70 -86.09 -29.9 23.0 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 119.997 -0.681 . . . . 0.0 111.399 -176.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.405 ' C ' ' H ' ' B' ' 42' ' ' THR . 0.5 OUTLIER -99.12 84.07 2.98 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.754 0.787 . . . . 0.0 111.032 175.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 -81.35 38.36 0.48 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.517 0.675 . . . . 0.0 110.473 -177.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . 0.405 ' H ' ' C ' ' B' ' 40' ' ' LEU . 4.9 t -91.93 -22.67 19.91 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.263 -0.881 . . . . 0.0 109.477 176.621 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 2.3 m -121.81 115.19 30.82 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.5 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo -71.23 88.16 0.72 Allowed 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 121.943 1.762 . . . . 0.0 109.561 167.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 23.4 mtt85 -140.8 176.37 8.85 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.372 0.606 . . . . 0.0 112.381 -170.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 72.9 p -105.19 -172.45 2.1 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.831 -1.077 . . . . 0.0 110.562 -178.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . 0.499 ' O ' HG13 ' B' ' 51' ' ' ILE . 3.9 mmt180 -71.19 -50.78 29.57 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.0 0.428 . . . . 0.0 109.916 -175.315 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.509 ' HE2' ' OE1' ' B' ' 49' ' ' GLN . 21.2 ttpt -53.99 -36.42 62.91 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 115.224 -0.898 . . . . 0.0 112.264 -174.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.509 ' OE1' ' HE2' ' B' ' 48' ' ' LYS . 0.2 OUTLIER -55.83 -60.94 2.75 Favored 'General case' 0 C--O 1.239 0.532 0 CA-C-O 121.443 0.64 . . . . 0.0 111.381 -179.736 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.554 HG23 HD11 ' B' ' 17' ' ' LEU . 1.9 mp -61.51 -42.48 94.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.885 -177.676 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.499 HG13 ' O ' ' B' ' 47' ' ' ARG . 79.5 mt -52.98 -47.2 54.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.793 179.465 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -54.79 -51.38 65.96 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-N 115.267 -0.879 . . . . 0.0 112.199 -176.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' HIS . . . . . 0.43 ' HB2' ' CD2' ' B' ' 17' ' ' LEU . 96.7 m-70 -62.57 -35.17 78.65 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 120.595 -0.442 . . . . 0.0 111.801 -176.582 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . 0.502 HD22 HD11 ' B' ' 59' ' ' LEU . 91.8 mt -69.35 -48.28 61.8 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.789 0.328 . . . . 0.0 110.928 -176.08 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 21.8 m -72.28 -21.97 20.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.064 0.459 . . . . 0.0 110.593 179.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -78.0 -28.96 49.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.234 177.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 67.1 mtm -83.84 0.95 45.44 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.995 -0.282 . . . . 0.0 111.304 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 75.06 5.31 75.5 Favored Glycine 0 CA--C 1.511 -0.162 0 C-N-CA 120.977 -0.63 . . . . 0.0 112.645 175.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.502 HD11 HD22 ' B' ' 54' ' ' LEU . 4.1 pp -88.32 -13.55 40.47 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.489 0.662 . . . . 0.0 109.584 178.438 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -129.26 157.73 41.03 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.045 -0.979 . . . . 0.0 109.562 173.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -78.33 -66.6 0.83 Allowed 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -175.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 24.8 m -149.51 164.27 35.51 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.757 0.313 . . . . 0.0 111.246 -172.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' VAL . . . . . 0.405 HG22 HG22 ' B' ' 51' ' ' ILE . 46.3 t -66.34 -32.06 56.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.997 -179.459 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . 0.428 ' NZ ' ' HB3' ' B' ' 64' ' ' LYS . 9.6 mtpm? -55.89 -30.08 60.99 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.737 -0.665 . . . . 0.0 112.431 -178.561 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -73.77 -18.47 60.97 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.111 0.481 . . . . 0.0 110.52 -176.179 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' PHE . . . . . 0.423 ' CG ' HG23 ' B' ' 51' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.327 -0.407 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.175 -179.479 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . 0.49 HG11 ' HG2' ' B' ' 109' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.446 -0.625 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.93 102.7 0.06 Allowed 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.398 0.618 . . . . 0.0 111.434 -178.659 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 76' ' ' TRP . . . . . 0.611 ' CH2' HD23 ' B' ' 84' ' ' LEU . 20.7 m95 -90.33 113.13 24.93 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.264 177.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 24.9 p -124.53 175.11 7.37 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.562 178.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -53.98 -47.56 65.84 Favored Glycine 0 C--O 1.229 -0.205 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.465 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . 0.484 ' O ' ' HG3' ' B' ' 83' ' ' GLU . 8.8 m-20 -59.86 -56.56 20.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.812 0.339 . . . . 0.0 110.659 177.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 80' ' ' GLN . . . . . 0.456 ' NE2' ' HA ' ' B' ' 76' ' ' TRP . 0.1 OUTLIER -58.72 -40.64 84.29 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.022 -175.696 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -65.08 -48.69 72.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.374 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . 0.415 HD13 ' C ' ' B' ' 82' ' ' LEU . 2.4 tm? -63.79 -42.5 97.72 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.976 -179.299 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . 0.484 ' HG3' ' O ' ' B' ' 79' ' ' ASP . 63.8 mt-10 -61.31 -44.63 96.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.696 0.284 . . . . 0.0 111.211 -179.397 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . 0.611 HD23 ' CH2' ' B' ' 76' ' ' TRP . 15.5 tp -72.45 -36.26 68.48 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.934 -0.306 . . . . 0.0 110.555 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -55.13 -61.55 2.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.229 178.319 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 86' ' ' ARG . . . . . 0.447 ' O ' ' HG2' ' B' ' 90' ' ' GLU . 55.6 mtp180 -60.5 -42.73 96.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.591 -175.179 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 87' ' ' LEU . . . . . 0.453 HD21 HD22 ' B' ' 104' ' ' ASN . 4.5 mp -60.6 -46.01 91.87 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.721 -179.212 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.655 ' O ' ' HB2' ' B' ' 92' ' ' ARG . 1.6 t80 -56.26 -35.75 67.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.791 178.69 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -76.99 -42.04 40.39 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 179.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . 0.447 ' HG2' ' O ' ' B' ' 86' ' ' ARG . 11.6 pt-20 -89.79 -25.33 21.15 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -167.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 91' ' ' PHE . . . . . 0.443 ' CE2' ' HG ' ' B' ' 87' ' ' LEU . 78.5 m-85 -95.33 12.74 28.07 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.599 0.714 . . . . 0.0 109.933 175.735 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 92' ' ' ARG . . . . . 0.655 ' HB2' ' O ' ' B' ' 88' ' ' PHE . 51.1 ttt180 -81.11 -12.09 59.34 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.243 -0.889 . . . . 0.0 111.625 -173.676 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -86.46 5.56 34.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.806 0.336 . . . . 0.0 111.066 -179.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 61.9 p -104.78 172.04 7.0 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 175.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -66.15 -27.58 68.13 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 -171.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -144.51 105.03 4.13 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.994 0.426 . . . . 0.0 110.499 179.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 97' ' ' VAL . . . . . 0.594 HG22 ' HA ' ' B' ' 92' ' ' ARG . 2.6 t -62.08 -54.56 32.77 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.362 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.636 -175.296 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . 0.526 ' H ' HD12 ' B' ' 98' ' ' LEU . 4.5 mp -63.22 -25.9 68.55 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.088 -0.96 . . . . 0.0 111.673 -170.633 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 99' ' ' GLY . . . . . 0.56 ' O ' ' HD3' ' B' ' 103' ' ' LYS . . . -66.87 -46.19 76.59 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.887 -0.673 . . . . 0.0 111.874 177.571 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 73.5 m-70 -74.37 -28.58 61.17 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 178.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 101' ' ' ILE . . . . . 0.474 ' HB ' ' HA ' ' B' ' 98' ' ' LEU . 29.8 mt -57.37 -56.4 15.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.375 -0.829 . . . . 0.0 110.499 173.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 102' ' ' MET . . . . . 0.425 ' HG3' ' O ' ' B' ' 98' ' ' LEU . 60.4 mtt -60.43 -36.92 79.32 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.808 -177.661 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 103' ' ' LYS . . . . . 0.56 ' HD3' ' O ' ' B' ' 99' ' ' GLY . 5.3 mptp? -77.06 -18.73 57.86 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.667 -177.045 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 104' ' ' ASN . . . . . 0.453 HD22 HD21 ' B' ' 87' ' ' LEU . 6.2 t30 -101.88 -27.17 13.14 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.914 -0.314 . . . . 0.0 111.612 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 105' ' ' ILE . . . . . 0.499 HG12 ' NH2' ' B' ' 109' ' ' ARG . 5.7 tp -90.36 149.01 4.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 121.7 0.762 . . . . 0.0 111.855 -170.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 106' ' ' THR . . . . . 0.425 ' N ' HG13 ' B' ' 105' ' ' ILE . 1.7 t -72.78 -28.15 62.43 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 114.861 -1.063 . . . . 0.0 111.227 -178.162 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 107' ' ' ALA . . . . . 0.403 ' H ' HG13 ' B' ' 105' ' ' ILE . . . -90.82 128.07 36.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.777 0.322 . . . . 0.0 110.92 -178.441 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 108' ' ' LYS . . . . . 0.419 ' HA ' ' HE3' ' B' ' 108' ' ' LYS . 0.0 OUTLIER -89.58 102.35 15.03 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.748 0.785 . . . . 0.0 109.631 176.511 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 109' ' ' ARG . . . . . 0.499 ' NH2' HG12 ' B' ' 105' ' ' ILE . 31.9 mtm180 -117.7 145.85 44.13 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.721 -1.127 . . . . 0.0 109.375 -177.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 37.6 t -84.91 160.91 20.03 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 179.294 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 111' ' ' ARG . . . . . 0.507 ' CZ ' ' HB2' ' B' ' 98' ' ' LEU . 10.6 mmt180 -55.96 -41.82 75.3 Favored 'General case' 0 C--N 1.33 -0.271 0 O-C-N 123.299 0.374 . . . . 0.0 110.433 179.659 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -58.87 -37.35 76.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.412 -179.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 62.4 mtt180 -74.11 -39.96 63.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.813 0.34 . . . . 0.0 110.667 -178.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 114' ' ' ILE . . . . . 0.553 HG23 HD21 ' B' ' 84' ' ' LEU . 84.5 mt -74.11 -51.69 22.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.57 -173.741 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 115' ' ' VAL . . . . . 0.582 ' O ' HD23 ' B' ' 119' ' ' LEU . 20.1 m -63.24 -36.34 75.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-O 120.704 0.287 . . . . 0.0 110.6 -176.488 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -58.63 -42.14 87.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.51 0.672 . . . . 0.0 110.592 176.125 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . 0.505 ' O ' HD13 ' B' ' 121' ' ' LEU . 6.6 mmtm -79.68 -30.25 41.04 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.889 -175.118 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . 0.449 HD22 HD12 ' B' ' 123' ' ' LEU . 6.5 mt -62.59 -41.81 99.18 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.388 -0.525 . . . . 0.0 110.782 176.154 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 119' ' ' LEU . . . . . 0.582 HD23 ' O ' ' B' ' 115' ' ' VAL . 4.6 mm? -68.69 -26.53 65.34 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.587 178.365 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -83.77 -44.97 13.85 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.129 -177.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 121' ' ' LEU . . . . . 0.505 HD13 ' O ' ' B' ' 117' ' ' LYS . 10.0 mp -64.69 -24.98 67.75 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 121.102 0.477 . . . . 0.0 110.723 176.022 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 78.13 33.14 41.48 Favored Glycine 0 N--CA 1.442 -0.915 0 C-N-CA 120.735 -0.745 . . . . 0.0 111.306 -173.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . 0.449 HD12 HD22 ' B' ' 118' ' ' LEU . 40.8 mt -82.96 -17.75 42.42 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-O 121.638 0.732 . . . . 0.0 109.058 177.381 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 124' ' ' VAL . . . . . 0.669 HG22 ' H ' ' B' ' 125' ' ' ALA . 2.5 p -148.54 179.15 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.436 -1.165 0 CA-C-N 114.964 -1.016 . . . . 0.0 109.824 175.539 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . 0.669 ' H ' HG22 ' B' ' 124' ' ' VAL . . . -117.93 -7.23 10.93 Favored 'General case' 0 C--N 1.303 -1.418 0 CA-C-N 114.542 -1.208 . . . . 0.0 110.706 -179.143 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 126' ' ' GLU . . . . . 0.522 ' HG3' ' HG2' ' B' ' 129' ' ' GLU . 5.6 pt-20 -172.94 147.9 1.71 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.964 -168.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 127' ' ' ARG . . . . . 0.732 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 71.6 mtm-85 -69.92 -30.14 67.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.715 0.293 . . . . 0.0 111.627 -175.536 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 128' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' B' ' 128' ' ' ARG . 9.6 ptt-85 -65.07 -6.94 10.07 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -178.317 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 129' ' ' GLU . . . . . 0.553 ' HB3' ' NH2' ' B' ' 92' ' ' ARG . 7.4 mm-40 -90.37 -23.74 21.01 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.077 0.465 . . . . 0.0 111.12 177.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 130' ' ' LEU . . . . . 0.732 ' HG ' ' O ' ' B' ' 127' ' ' ARG . 0.0 OUTLIER -96.19 10.92 36.24 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.575 176.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 131' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 . . . . . 0 C--N 1.324 -0.505 0 CA-C-N 115.12 -0.945 . . . . 0.0 108.918 172.85 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 32.3 m95 . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.731 0.301 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 18.1 m -86.75 151.75 53.02 Favored Pre-proline 0 C--N 1.322 -0.598 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 175.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -49.73 -48.01 20.88 Favored 'Trans proline' 0 N--CA 1.477 0.533 0 C-N-CA 122.866 2.378 . . . . 0.0 112.813 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -64.86 -34.35 78.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.634 0.731 . . . . 0.0 110.594 178.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -72.44 -37.28 68.61 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.986 -1.006 . . . . 0.0 110.397 -176.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -70.14 -27.93 64.95 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.135 0.493 . . . . 0.0 110.156 175.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . 0.456 ' O ' ' HB2' ' B' ' 19' ' ' GLU . . . -68.69 -27.36 65.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.01 174.348 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.546 ' HA ' ' CB ' ' B' ' 19' ' ' GLU . 23.1 t-160 -83.36 -26.57 30.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.452 -0.794 . . . . 0.0 109.698 176.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -63.9 -51.03 66.39 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 175.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . 0.741 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 15.0 ptm180 -70.67 -32.34 69.57 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.994 174.349 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . 0.546 ' CB ' ' HA ' ' B' ' 16' ' ' HIS . 13.5 tp10 -49.01 -57.06 7.14 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 121.411 0.624 . . . . 0.0 110.702 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.449 HD11 ' HB2' ' B' ' 39' ' ' HIS . 3.2 mt -60.98 -38.14 84.93 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.026 -0.988 . . . . 0.0 111.433 -179.544 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' TYR . . . . . 0.484 ' HA ' HD11 ' B' ' 36' ' ' ILE . 54.5 t80 -70.37 -42.14 72.17 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.955 0.407 . . . . 0.0 111.028 -176.602 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.741 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 58.1 mt -69.91 -20.02 63.38 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.944 -177.072 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -89.2 -45.13 9.78 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.419 178.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -82.12 -10.72 59.09 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -173.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -67.08 -21.32 65.89 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 121.012 0.434 . . . . 0.0 110.369 175.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -89.71 -8.39 52.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.411 -178.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 42.1 t -92.42 125.95 44.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.862 -177.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -95.97 132.99 40.71 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.837 -175.091 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.42 -33.8 4.94 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.962 -0.637 . . . . 0.0 112.255 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . 0.51 ' OE1' ' HB2' ' B' ' 35' ' ' ALA . 1.0 OUTLIER -79.02 125.22 29.1 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 178.91 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -61.94 110.63 1.62 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.365 -178.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . 0.668 ' O ' HG12 ' B' ' 36' ' ' ILE . 2.0 p -62.47 -40.08 86.77 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.363 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.846 -173.266 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . 0.696 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 0.8 OUTLIER -67.48 -40.13 83.86 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.561 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 -174.891 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.576 ' HA ' HD11 ' B' ' 37' ' ' LEU . 3.2 tm-20 -67.56 -40.14 84.93 Favored 'General case' 0 N--CA 1.441 -0.895 0 CA-C-N 115.283 -0.871 . . . . 0.0 109.442 -179.181 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . 0.51 ' HB2' ' OE1' ' B' ' 30' ' ' GLN . . . -55.84 -42.85 76.4 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.16 0.505 . . . . 0.0 110.868 179.476 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.668 HG12 ' O ' ' B' ' 32' ' ' VAL . 4.8 mm -69.36 -57.59 8.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.03 -176.605 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.696 ' HG ' ' O ' ' B' ' 33' ' ' VAL . 2.9 pp -64.83 -18.96 65.59 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.641 -0.709 . . . . 0.0 112.117 -176.184 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -79.77 -52.64 7.68 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 -177.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' HIS . . . . . 0.456 ' HD2' ' O ' ' B' ' 35' ' ' ALA . 90.1 m-70 -83.09 -24.14 32.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.814 0.34 . . . . 0.0 111.772 -168.019 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.561 ' HB2' ' NH2' ' B' ' 45' ' ' ARG . 16.0 mt -76.46 83.08 3.17 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.014 0.435 . . . . 0.0 111.653 -178.455 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 39.5 m-80 -104.93 38.49 1.91 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.637 0.732 . . . . 0.0 109.091 171.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . 0.41 HG23 HG12 ' B' ' 43' ' ' VAL . 8.3 t -96.94 -19.06 19.07 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.409 -1.269 . . . . 0.0 109.416 176.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . 0.442 ' O ' ' HD3' ' B' ' 45' ' ' ARG . 7.3 p -149.88 124.32 4.66 Favored Pre-proline 0 N--CA 1.447 -0.625 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.05 -175.415 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -75.73 120.39 5.82 Favored 'Trans proline' 0 N--CA 1.46 -0.462 0 C-N-CA 122.237 1.958 . . . . 0.0 112.007 177.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . 0.561 ' NH2' ' HB2' ' B' ' 40' ' ' LEU . 0.0 OUTLIER -156.6 167.88 29.1 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 179.138 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 6.0 t -76.84 153.68 34.6 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 172.048 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . 0.509 ' CG ' HD22 ' B' ' 37' ' ' LEU . 0.1 OUTLIER -60.69 -25.03 66.09 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.309 0.576 . . . . 0.0 110.818 -178.407 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -55.37 -39.52 70.19 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.154 -0.93 . . . . 0.0 111.323 177.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -65.65 -33.83 76.81 Favored 'General case' 0 C--O 1.222 -0.352 0 CA-C-N 116.684 -0.234 . . . . 0.0 111.444 -175.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.511 HG21 ' HB ' ' B' ' 36' ' ' ILE . 2.9 mp -61.19 -59.1 4.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 120.957 0.408 . . . . 0.0 110.032 178.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.489 HG13 ' CD2' ' B' ' 66' ' ' PHE . 2.1 mp -54.74 -42.79 63.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.093 -0.958 . . . . 0.0 110.417 177.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' HIS . . . . . 0.572 ' HB3' ' NE2' ' B' ' 56' ' ' GLN . 2.7 m-70 -66.37 -53.67 33.31 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.265 -0.879 . . . . 0.0 112.06 -177.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -59.73 -33.6 71.84 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 111.762 0.282 . . . . 0.0 111.762 -175.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . 0.528 ' CD2' HD11 ' B' ' 59' ' ' LEU . 76.3 mt -65.25 -49.37 69.87 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.073 -179.003 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 11.7 m -76.77 -24.43 15.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.173 0.511 . . . . 0.0 110.452 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' GLN . . . . . 0.572 ' NE2' ' HB3' ' B' ' 52' ' ' HIS . 40.1 mt-30 -66.68 -33.4 75.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.361 177.624 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 73.6 mtm -91.64 11.05 25.67 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.889 0.376 . . . . 0.0 111.2 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 67.86 8.32 52.62 Favored Glycine 0 C--N 1.331 0.293 0 CA-C-N 115.741 -0.663 . . . . 0.0 113.273 173.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.528 HD11 ' CD2' ' B' ' 54' ' ' LEU . 4.5 pp -90.25 -18.71 25.16 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.527 0.68 . . . . 0.0 109.966 -178.704 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -110.33 161.02 16.04 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.43 172.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -72.13 -68.37 0.47 Allowed 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.792 178.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 58.8 m -164.72 176.17 9.05 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.2 0.524 . . . . 0.0 111.951 -175.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 3.6 t -61.03 -24.69 33.81 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 CA-C-N 114.976 -1.011 . . . . 0.0 110.717 176.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -61.64 -30.92 71.02 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.117 -0.947 . . . . 0.0 112.086 -177.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -82.17 -19.13 40.51 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.275 0.559 . . . . 0.0 110.943 -178.048 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' PHE . . . . . 0.489 ' CD2' HG13 ' B' ' 51' ' ' ILE . 44.9 m-85 . . . . . 0 C--N 1.327 -0.38 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -172.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . 0.579 HG21 ' HG2' ' B' ' 109' ' ' ARG . 3.9 m . . . . . 0 N--CA 1.446 -0.669 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.545 ' O ' HD12 ' B' ' 75' ' ' LEU . 0.6 OUTLIER -50.13 90.98 0.0 OUTLIER 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 121.684 0.754 . . . . 0.0 113.023 -178.528 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 76' ' ' TRP . . . . . 0.71 ' CH2' HD23 ' B' ' 84' ' ' LEU . 17.8 m95 -88.45 109.27 19.89 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 171.455 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 69.6 p -101.12 160.26 14.54 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.782 176.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -54.01 -38.51 60.75 Favored Glycine 0 CA--C 1.519 0.283 0 C-N-CA 121.283 -0.484 . . . . 0.0 113.438 -177.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -74.76 -42.63 57.83 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.741 0.27 . . . . 0.0 111.589 -176.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -80.56 -25.39 38.61 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.671 -0.412 . . . . 0.0 110.354 -177.133 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -67.1 -44.48 79.89 Favored 'General case' 0 CA--C 1.52 -0.195 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 175.241 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 17.5 tp -63.59 -40.13 96.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.176 175.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . 0.42 ' O ' ' HB2' ' B' ' 87' ' ' LEU . 11.3 tp10 -56.14 -49.13 74.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.289 178.152 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . 0.71 HD23 ' CH2' ' B' ' 76' ' ' TRP . 26.0 tp -73.15 -31.29 64.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.784 179.746 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -56.07 -59.67 4.58 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 175.288 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 47.6 mtp180 -56.89 -44.63 82.48 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.914 177.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 87' ' ' LEU . . . . . 0.504 HD11 HD22 ' B' ' 104' ' ' ASN . 4.6 tp -58.02 -50.18 74.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.117 -175.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -57.29 -46.89 82.69 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.283 179.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -65.45 -33.37 75.78 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.259 -178.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -84.2 -26.14 28.97 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.258 -172.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -107.77 -1.68 20.71 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.419 0.526 . . . . 0.0 112.419 -177.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 92' ' ' ARG . . . . . 0.456 ' HA ' ' HB ' ' B' ' 97' ' ' VAL . 25.8 ptt180 -72.76 -9.25 58.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.486 0.66 . . . . 0.0 109.711 175.568 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -58.95 -18.71 36.22 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.793 171.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 24.1 t -103.62 179.63 4.22 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 178.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -71.89 -50.57 28.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.022 0.439 . . . . 0.0 110.63 -177.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -112.32 103.61 11.75 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.942 -178.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 97' ' ' VAL . . . . . 0.456 ' HB ' ' HA ' ' B' ' 92' ' ' ARG . 10.3 p -76.98 -34.59 22.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.624 -176.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . 0.469 ' HA ' HD12 ' B' ' 101' ' ' ILE . 4.1 mp -72.03 -32.35 67.05 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.335 0.494 . . . . 0.0 112.335 -172.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -59.49 -40.26 96.0 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.587 -0.816 . . . . 0.0 111.614 174.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 83.6 m-70 -77.72 -30.25 51.61 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 178.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 101' ' ' ILE . . . . . 0.478 ' O ' HG22 ' B' ' 105' ' ' ILE . 42.3 mt -56.55 -59.57 2.82 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.303 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.994 173.522 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 21.4 mmt -53.62 -37.75 63.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.077 -0.51 . . . . 0.0 112.092 -177.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -87.17 -11.49 49.78 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.16 -0.473 . . . . 0.0 112.271 -174.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 104' ' ' ASN . . . . . 0.504 HD22 HD11 ' B' ' 87' ' ' LEU . 52.7 t30 -115.81 -15.98 11.23 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.385 -0.526 . . . . 0.0 112.2 -178.511 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 105' ' ' ILE . . . . . 0.478 HG22 ' O ' ' B' ' 101' ' ' ILE . 11.1 tp -91.91 156.98 2.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.427 0.632 . . . . 0.0 111.225 -177.615 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 106' ' ' THR . . . . . 0.452 ' N ' HG13 ' B' ' 105' ' ' ILE . 14.7 t -78.91 -43.78 24.07 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.276 -0.875 . . . . 0.0 111.416 -178.564 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 107' ' ' ALA . . . . . 0.4 ' N ' HG23 ' B' ' 106' ' ' THR . . . -85.26 126.81 33.99 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-O 120.615 0.245 . . . . 0.0 110.415 -178.02 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 9.0 mptt -91.84 102.72 15.32 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.506 0.669 . . . . 0.0 110.314 179.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 109' ' ' ARG . . . . . 0.579 ' HG2' HG21 ' B' ' 74' ' ' VAL . 12.7 mtm180 -104.13 -178.09 3.56 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.913 -1.04 . . . . 0.0 110.696 -178.011 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 110' ' ' SER . . . . . 0.473 ' O ' HG13 ' B' ' 114' ' ' ILE . 18.5 m -100.28 148.24 24.88 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.462 167.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 61.7 mtp180 -65.06 -36.68 85.11 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -172.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -58.77 -38.57 78.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.044 0.45 . . . . 0.0 111.899 -177.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 113' ' ' ARG . . . . . 0.486 ' O ' ' HB2' ' B' ' 117' ' ' LYS . 1.8 ptp180 -87.11 -19.25 28.8 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.559 -178.407 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 114' ' ' ILE . . . . . 0.473 HG13 ' O ' ' B' ' 110' ' ' SER . 77.5 mt -69.91 -50.99 44.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 175.117 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 115' ' ' VAL . . . . . 0.422 ' O ' HD23 ' B' ' 119' ' ' LEU . 27.0 m -61.63 -37.96 79.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.97 -178.157 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -74.24 -32.21 62.89 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.202 -177.437 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . 0.486 ' HB2' ' O ' ' B' ' 113' ' ' ARG . 6.2 tmtt? -72.09 -27.65 62.79 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.386 178.669 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . 0.567 HD22 HD12 ' B' ' 123' ' ' LEU . 19.7 mt -57.76 -46.52 84.41 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 121.086 0.469 . . . . 0.0 110.02 173.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 119' ' ' LEU . . . . . 0.422 HD23 ' O ' ' B' ' 115' ' ' VAL . 4.4 mm? -56.55 -36.26 69.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.484 178.236 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -73.39 -37.13 66.09 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.381 -178.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 121' ' ' LEU . . . . . 0.404 HD13 ' O ' ' B' ' 117' ' ' LYS . 10.9 mp -71.48 -25.41 62.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.031 0.443 . . . . 0.0 110.922 175.061 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 80.44 29.31 44.9 Favored Glycine 0 N--CA 1.442 -0.919 0 C-N-CA 120.649 -0.786 . . . . 0.0 111.275 -171.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . 0.567 HD12 HD22 ' B' ' 118' ' ' LEU . 43.8 mt -76.96 -21.41 54.81 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-O 121.607 0.718 . . . . 0.0 109.235 177.494 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 124' ' ' VAL . . . . . 0.425 HG21 ' CD2' ' B' ' 130' ' ' LEU . 12.2 m -147.9 177.64 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 114.59 -1.186 . . . . 0.0 109.605 176.111 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -117.73 -7.69 10.97 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.694 176.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -158.91 152.45 22.93 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 114.815 -1.084 . . . . 0.0 109.152 -175.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 127' ' ' ARG . . . . . 0.64 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 36.4 mtm-85 -74.9 -21.12 59.4 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.124 0.487 . . . . 0.0 110.496 177.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 128' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -51.22 -34.79 33.64 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 114.728 -1.124 . . . . 0.0 112.232 -179.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -73.48 -33.24 64.73 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -176.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 130' ' ' LEU . . . . . 0.64 ' HG ' ' O ' ' B' ' 127' ' ' ARG . 0.1 OUTLIER -91.62 20.45 5.44 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.341 0.591 . . . . 0.0 110.738 -176.627 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 131' ' ' TYR . . . . . 0.515 ' CE2' ' HB3' ' B' ' 127' ' ' ARG . 16.6 m-85 . . . . . 0 C--N 1.319 -0.751 0 CA-C-N 115.173 -0.922 . . . . 0.0 109.022 178.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 59.3 m95 . . . . . 0 CA--C 1.516 -0.361 0 CA-C-O 120.887 0.375 . . . . 0.0 110.534 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 33.8 p -89.4 165.65 24.89 Favored Pre-proline 0 C--N 1.313 -0.98 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 173.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -51.36 -33.42 46.08 Favored 'Trans proline' 0 N--CA 1.462 -0.344 0 C-N-CA 122.138 1.892 . . . . 0.0 111.292 171.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -73.51 -37.47 65.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.212 177.246 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.483 ' CD ' HG21 ' B' ' 42' ' ' THR . 6.8 tp10 -68.12 -42.81 79.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.521 0.2 . . . . 0.0 111.332 -173.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -73.52 -25.05 60.24 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.264 -0.574 . . . . 0.0 110.476 177.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . 0.488 ' O ' ' HB2' ' B' ' 19' ' ' GLU . . . -71.12 -26.35 62.98 Favored 'General case' 0 C--O 1.225 -0.219 0 CA-C-O 121.454 0.645 . . . . 0.0 109.671 171.782 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.496 ' O ' ' HB3' ' B' ' 19' ' ' GLU . 11.4 t-160 -81.71 -28.76 33.28 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.737 -1.12 . . . . 0.0 110.147 176.562 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.538 ' CD2' ' HB2' ' B' ' 53' ' ' HIS . 21.9 tp -67.75 -45.66 74.31 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.701 176.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . 0.818 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 12.0 ptm180 -72.16 -33.39 67.68 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 175.341 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . 0.496 ' HB3' ' O ' ' B' ' 16' ' ' HIS . 8.3 tp10 -50.58 -50.78 52.84 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.156 177.681 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.454 ' HB3' HG12 ' B' ' 36' ' ' ILE . 0.4 OUTLIER -69.2 -33.17 72.94 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.675 -1.148 . . . . 0.0 111.445 -178.479 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -68.63 -50.58 50.31 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 121.421 0.629 . . . . 0.0 109.968 -178.024 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.818 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 16.3 mt -63.14 -26.48 68.83 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.915 -1.038 . . . . 0.0 111.21 -178.264 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.4 -30.32 37.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.045 -0.525 . . . . 0.0 112.373 -175.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 45.5 m-80 -119.99 22.65 11.39 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -173.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -85.37 -13.66 48.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.954 0.407 . . . . 0.0 111.156 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -98.84 23.91 8.28 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.907 0.86 . . . . 0.0 110.431 -177.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 21.8 t -113.36 108.01 24.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.586 -176.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -88.29 143.36 27.07 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.223 -176.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.95 27.45 49.99 Favored Glycine 0 N--CA 1.447 -0.578 0 N-CA-C 110.394 -1.083 . . . . 0.0 110.394 -173.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -144.47 151.69 39.54 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.009 -0.596 . . . . 0.0 110.679 -173.268 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -95.41 107.22 19.35 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 172.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . 0.561 ' O ' HG13 ' B' ' 36' ' ' ILE . 9.3 p -58.45 -33.15 47.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 178.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . 0.794 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 3.1 t -55.26 -58.77 3.49 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.598 0 CA-C-N 114.736 -1.12 . . . . 0.0 110.03 175.665 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.485 ' HA ' HD12 ' B' ' 37' ' ' LEU . 8.7 tp10 -60.2 -34.13 73.2 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.655 -175.27 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.64 -46.26 87.5 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 121.553 0.692 . . . . 0.0 109.587 176.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.561 HG13 ' O ' ' B' ' 32' ' ' VAL . 35.7 mt -69.82 -56.21 12.22 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.425 179.161 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.794 ' HG ' ' O ' ' B' ' 33' ' ' VAL . 28.0 mt -43.49 -43.5 5.44 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 124.049 0.843 . . . . 0.0 112.07 -175.044 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -85.67 -35.01 21.17 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 -171.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' HIS . . . . . 0.448 ' HB2' HD11 ' B' ' 20' ' ' LEU . 17.7 m-70 -75.8 -30.61 59.12 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 -169.745 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.616 ' HG ' ' O ' ' B' ' 40' ' ' LEU . 1.8 pt? -99.79 83.52 2.76 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 122.388 1.09 . . . . 0.0 111.393 -178.521 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 23.6 p-10 -84.31 40.61 0.78 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.243 -0.89 . . . . 0.0 109.639 175.005 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . 0.483 HG21 ' CD ' ' B' ' 13' ' ' GLU . 5.0 t -96.58 -29.74 13.69 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.76 -1.109 . . . . 0.0 110.806 -175.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . 0.4 HG12 HG23 ' B' ' 42' ' ' THR . 3.9 p -131.57 130.69 22.49 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.698 -174.107 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -80.8 101.94 1.34 Allowed 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 122.667 2.244 . . . . 0.0 111.922 177.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . 0.488 ' CZ ' HD11 ' B' ' 50' ' ' ILE . 0.0 OUTLIER -156.53 169.21 25.17 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.647 -178.055 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . 0.527 ' OG1' ' HG2' ' B' ' 49' ' ' GLN . 82.4 p -76.72 176.83 8.08 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.969 0.414 . . . . 0.0 111.005 -178.497 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . 0.527 ' HD2' ' HB3' ' B' ' 37' ' ' LEU . 27.4 mmt180 -73.93 -29.74 62.19 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 177.724 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 25.1 ttpp -62.11 -36.74 82.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.056 -0.975 . . . . 0.0 110.852 176.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.527 ' HG2' ' OG1' ' B' ' 46' ' ' THR . 15.5 mm100 -60.86 -38.92 87.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.271 -178.04 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.507 HG23 HD11 ' B' ' 17' ' ' LEU . 2.1 mp -61.19 -54.81 30.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.894 0.378 . . . . 0.0 110.107 176.357 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.429 HG21 HG13 ' B' ' 63' ' ' VAL . 63.9 mt -59.46 -45.4 93.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.379 -176.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' HIS . . . . . 0.493 ' O ' ' HB2' ' B' ' 56' ' ' GLN . 1.7 m-70 -60.75 -39.35 88.37 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.181 -175.22 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' HIS . . . . . 0.538 ' HB2' ' CD2' ' B' ' 17' ' ' LEU . 71.3 m-70 -69.95 -28.82 65.88 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.521 -0.472 . . . . 0.0 110.901 179.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . 0.504 HD22 HD11 ' B' ' 59' ' ' LEU . 75.5 mt -74.53 -49.46 21.89 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.216 0.532 . . . . 0.0 110.509 -177.302 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . 0.457 ' HA ' ' HB3' ' B' ' 60' ' ' ALA . 18.6 m -70.66 -30.9 44.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.547 -179.479 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' GLN . . . . . 0.493 ' HB2' ' O ' ' B' ' 52' ' ' HIS . 25.0 mt-30 -75.78 -18.53 59.49 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.048 176.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.64 ' SD ' ' HD2' ' B' ' 18' ' ' ARG . 23.1 ttm -82.83 -11.02 58.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.097 0.475 . . . . 0.0 110.337 -179.053 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 86.78 2.28 84.48 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.619 178.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.504 HD11 HD22 ' B' ' 54' ' ' LEU . 4.2 pp -87.83 -9.55 53.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.323 0.582 . . . . 0.0 109.986 179.099 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . 0.457 ' HB3' ' HA ' ' B' ' 55' ' ' VAL . . . -132.88 164.91 25.84 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.107 173.355 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -74.67 -66.17 0.78 Allowed 'General case' 0 CA--C 1.514 -0.432 0 CA-C-O 120.828 0.347 . . . . 0.0 111.002 177.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 16.9 p -157.2 173.79 16.44 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.954 -176.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' VAL . . . . . 0.429 HG13 HG21 ' B' ' 51' ' ' ILE . 91.6 t -64.95 -28.37 44.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.495 -177.169 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 13.8 pttm -63.0 -28.57 70.2 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.663 0.744 . . . . 0.0 110.876 -177.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -68.17 -20.17 64.85 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.756 -1.111 . . . . 0.0 110.855 178.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' PHE . . . . . 0.408 ' HD1' HG22 ' B' ' 33' ' ' VAL . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.352 0 CA-C-O 121.814 0.816 . . . . 0.0 109.07 176.18 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . 0.487 HG11 ' HG2' ' B' ' 109' ' ' ARG . 61.1 t . . . . . 0 N--CA 1.43 -1.426 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.592 ' O ' ' HG ' ' B' ' 75' ' ' LEU . 2.3 pt? -47.66 94.93 0.01 OUTLIER 'General case' 0 C--N 1.316 -0.849 0 O-C-N 124.275 0.984 . . . . 0.0 110.808 178.587 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 76' ' ' TRP . . . . . 0.504 ' CH2' HD22 ' B' ' 84' ' ' LEU . 44.6 m95 -95.99 108.12 20.48 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.493 -177.397 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 44.4 p -123.05 176.27 6.13 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.09 -0.959 . . . . 0.0 108.816 179.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -61.88 -42.62 99.76 Favored Glycine 0 N--CA 1.453 -0.177 0 C-N-CA 120.481 -0.866 . . . . 0.0 111.37 177.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -64.29 -49.73 70.67 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.89 0.376 . . . . 0.0 110.678 177.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.72 -33.45 75.14 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.272 -178.282 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -78.4 -39.7 38.21 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.862 -177.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 20.9 tp -61.52 -40.65 95.41 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 174.283 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . 0.455 ' O ' ' HB2' ' B' ' 87' ' ' LEU . 8.5 mm-40 -56.2 -45.03 79.98 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.336 175.183 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . 0.504 HD22 ' CH2' ' B' ' 76' ' ' TRP . 31.6 tp -60.62 -48.85 79.95 Favored 'General case' 0 C--N 1.333 -0.139 0 O-C-N 123.365 0.416 . . . . 0.0 110.854 175.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -54.47 -56.29 20.23 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 123.572 0.545 . . . . 0.0 110.782 -176.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 7.6 mtp180 -60.17 -51.49 69.38 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 120.82 -0.352 . . . . 0.0 111.23 178.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 87' ' ' LEU . . . . . 0.593 HD23 HG23 ' B' ' 101' ' ' ILE . 12.2 tp -53.0 -47.94 67.89 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.13 -177.079 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.424 ' O ' ' HG3' ' B' ' 92' ' ' ARG . 44.1 t80 -62.57 -59.8 4.42 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.256 -179.308 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . 0.492 ' OE1' ' HD2' ' B' ' 92' ' ' ARG . 6.2 mm-40 -54.96 -41.58 71.3 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-O 121.482 0.658 . . . . 0.0 111.564 -176.791 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -71.14 -20.22 62.34 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 115.068 -0.969 . . . . 0.0 112.374 -175.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -118.82 13.65 13.22 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 92' ' ' ARG . . . . . 0.492 ' HD2' ' OE1' ' B' ' 89' ' ' GLU . 18.9 mtp180 -61.67 -27.49 68.72 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-O 120.883 0.373 . . . . 0.0 111.138 -179.051 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -65.93 5.7 0.46 Allowed 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.144 -0.934 . . . . 0.0 112.453 -178.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 20.1 m -104.71 142.91 33.85 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 172.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -66.57 -13.92 61.67 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 120.834 0.35 . . . . 0.0 110.947 -177.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -137.11 87.63 2.29 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 169.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 97' ' ' VAL . . . . . 0.425 HG12 ' O ' ' B' ' 130' ' ' LEU . 7.6 p -70.85 -31.24 44.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.897 -177.616 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . 0.532 ' O ' ' HG2' ' B' ' 102' ' ' MET . 5.4 mp -64.74 -32.68 74.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.491 -176.385 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 99' ' ' GLY . . . . . 0.561 ' O ' ' HD3' ' B' ' 103' ' ' LYS . . . -58.1 -45.7 93.6 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.503 -0.856 . . . . 0.0 111.07 174.358 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 18.0 m-70 -69.47 -34.72 74.77 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.578 -0.526 . . . . 0.0 109.578 178.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 101' ' ' ILE . . . . . 0.593 HG23 HD23 ' B' ' 87' ' ' LEU . 29.4 mt -59.54 -65.09 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.007 -179.344 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 102' ' ' MET . . . . . 0.532 ' HG2' ' O ' ' B' ' 98' ' ' LEU . 7.5 ptp -66.59 -19.46 65.78 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 -172.183 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 103' ' ' LYS . . . . . 0.561 ' HD3' ' O ' ' B' ' 99' ' ' GLY . 5.5 mptp? -86.36 -36.78 19.01 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.735 177.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 104' ' ' ASN . . . . . 0.43 HD22 ' N ' ' B' ' 104' ' ' ASN . 0.9 OUTLIER -94.01 -4.95 48.64 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.211 0.448 . . . . 0.0 112.211 -174.935 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 105' ' ' ILE . . . . . 0.532 HG13 ' H ' ' B' ' 107' ' ' ALA . 7.0 tp -91.73 148.66 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.358 0.599 . . . . 0.0 110.946 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 106' ' ' THR . . . . . 0.454 ' N ' HG13 ' B' ' 105' ' ' ILE . 6.1 t -63.73 -21.7 66.53 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.994 -1.003 . . . . 0.0 111.845 -177.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 107' ' ' ALA . . . . . 0.532 ' H ' HG13 ' B' ' 105' ' ' ILE . . . -112.32 128.68 56.35 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.517 -178.162 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 108' ' ' LYS . . . . . 0.481 ' HA ' ' HE3' ' B' ' 108' ' ' LYS . 0.0 OUTLIER -77.73 101.8 6.83 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.492 0.663 . . . . 0.0 109.82 -179.299 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 109' ' ' ARG . . . . . 0.487 ' HG2' HG11 ' B' ' 74' ' ' VAL . 23.5 mtt85 -105.53 160.6 15.05 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.045 -178.185 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 42.0 t -98.37 165.41 11.87 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.549 171.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 111' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' B' ' 111' ' ' ARG . 12.8 mmt85 -58.09 -44.2 87.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.406 -176.477 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -61.06 -25.22 66.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.643 -178.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 113' ' ' ARG . . . . . 0.604 ' NE ' ' HA ' ' B' ' 113' ' ' ARG . 2.3 mmp_? -81.31 -32.46 33.08 Favored 'General case' 0 CA--C 1.509 -0.633 0 CA-C-O 121.315 0.579 . . . . 0.0 110.871 -178.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 114' ' ' ILE . . . . . 0.435 ' HB ' HD23 ' B' ' 98' ' ' LEU . 57.0 mt -83.66 -42.61 17.54 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.158 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.6 -174.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 115' ' ' VAL . . . . . 0.57 ' O ' HD23 ' B' ' 119' ' ' LEU . 34.6 m -63.29 -38.34 81.87 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.134 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.473 179.045 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -61.73 -48.21 81.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.249 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . 0.518 ' O ' HD13 ' B' ' 121' ' ' LEU . 0.4 OUTLIER -70.73 -29.62 65.93 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 120.389 -0.525 . . . . 0.0 111.659 -173.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . 0.44 ' HB3' HG22 ' B' ' 124' ' ' VAL . 13.3 mt -58.54 -46.35 87.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.905 0.383 . . . . 0.0 110.732 178.001 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 119' ' ' LEU . . . . . 0.57 HD23 ' O ' ' B' ' 115' ' ' VAL . 4.3 mm? -63.42 -32.13 73.48 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.561 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -73.12 -40.25 65.08 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.76 -177.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 121' ' ' LEU . . . . . 0.518 HD13 ' O ' ' B' ' 117' ' ' LYS . 9.7 mp -73.97 -24.27 59.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.146 174.401 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 77.56 30.77 52.56 Favored Glycine 0 N--CA 1.444 -0.771 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.427 -174.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . 0.413 ' HB3' ' CE1' ' B' ' 88' ' ' PHE . 59.1 mt -75.07 -19.98 59.74 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.861 0.839 . . . . 0.0 109.238 179.108 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 124' ' ' VAL . . . . . 0.445 HG21 ' CD2' ' B' ' 130' ' ' LEU . 30.6 m -141.14 170.43 13.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 114.31 -1.314 . . . . 0.0 110.107 176.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -99.0 -22.42 15.74 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.789 177.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 126' ' ' GLU . . . . . 0.445 ' HG3' ' H ' ' B' ' 128' ' ' ARG . 5.5 pt-20 -169.09 -179.63 3.67 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.336 -0.847 . . . . 0.0 108.989 -179.553 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 127' ' ' ARG . . . . . 0.712 ' HA ' HD21 ' B' ' 130' ' ' LEU . 48.4 mtp180 -72.54 -21.86 61.1 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -177.06 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 128' ' ' ARG . . . . . 0.445 ' H ' ' HG3' ' B' ' 126' ' ' GLU . 4.5 ttm180 -56.97 -38.49 73.05 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.818 0.342 . . . . 0.0 111.458 174.795 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -71.08 -15.84 62.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.839 -0.619 . . . . 0.0 112.584 -171.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 130' ' ' LEU . . . . . 0.712 HD21 ' HA ' ' B' ' 127' ' ' ARG . 0.1 OUTLIER -95.0 2.54 55.36 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.312 0.577 . . . . 0.0 110.709 -177.675 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 131' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 . . . . . 0 C--N 1.322 -0.619 0 N-CA-C 107.926 -1.138 . . . . 0.0 107.926 173.457 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' TRP . . . . . 0.411 ' CH2' HD13 ' B' ' 17' ' ' LEU . 32.2 m95 . . . . . 0 N--CA 1.451 -0.377 0 CA-C-O 121.142 0.496 . . . . 0.0 110.566 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 47.2 m -135.74 153.58 77.44 Favored Pre-proline 0 C--N 1.319 -0.73 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 178.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -41.31 -44.71 5.72 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 123.632 2.888 . . . . 0.0 113.928 -175.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . 0.466 ' H ' ' CD ' ' B' ' 12' ' ' GLU . 1.7 mp0 -58.0 -50.38 73.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.132 0.491 . . . . 0.0 110.989 179.751 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.441 ' CD ' HG21 ' B' ' 42' ' ' THR . 6.3 tp10 -75.71 -31.49 59.68 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.6 -175.173 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -70.26 -34.4 72.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.202 0.525 . . . . 0.0 109.85 177.077 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . 0.404 ' O ' ' HB2' ' B' ' 19' ' ' GLU . . . -66.61 -33.81 76.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.943 -0.572 . . . . 0.0 109.897 173.644 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.531 ' O ' ' HB3' ' B' ' 19' ' ' GLU . 14.3 t-160 -74.12 -27.25 60.78 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.23 176.027 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.455 HD21 ' HB2' ' B' ' 53' ' ' HIS . 34.6 tp -67.37 -46.62 72.78 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.234 -0.439 . . . . 0.0 109.992 177.08 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . 0.737 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 38.3 ptt180 -72.42 -28.25 62.85 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 175.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . 0.531 ' HB3' ' O ' ' B' ' 16' ' ' HIS . 8.1 tp10 -53.54 -51.56 62.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.294 179.637 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.453 HD11 ' HB2' ' B' ' 39' ' ' HIS . 0.4 OUTLIER -75.75 -26.82 57.77 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.167 -0.924 . . . . 0.0 111.245 -178.481 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -71.09 -50.37 34.4 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-O 121.035 0.445 . . . . 0.0 110.114 179.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.737 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 51.7 mt -63.14 -25.75 68.5 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.285 -178.243 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.17 -54.75 11.51 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.477 178.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -96.14 2.57 53.24 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 -171.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -77.16 -12.96 60.01 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.458 178.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -93.52 9.79 35.21 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.863 0.839 . . . . 0.0 110.019 178.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 31.2 t -108.32 107.49 22.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.678 -176.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -79.89 148.1 31.43 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.093 177.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.59 7.24 87.72 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.138 -179.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . 0.467 ' HG2' ' N ' ' B' ' 31' ' ' ASP . 36.7 tt0 -131.39 153.2 49.92 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.135 0.493 . . . . 0.0 111.019 -178.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . 0.467 ' N ' ' HG2' ' B' ' 30' ' ' GLN . 38.3 m-20 -86.99 115.39 24.34 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.862 171.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . 0.455 ' O ' HG13 ' B' ' 36' ' ' ILE . 8.1 p -65.96 -34.58 71.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.148 178.216 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . 0.694 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 1.3 p -58.36 -51.15 74.81 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.784 -177.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -65.78 -29.26 69.72 Favored 'General case' 0 CA--C 1.521 -0.149 0 C-N-CA 121.11 -0.236 . . . . 0.0 111.504 -178.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . 0.424 ' HB2' ' NE2' ' B' ' 30' ' ' GLN . . . -63.78 -46.27 86.01 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.558 0.695 . . . . 0.0 110.177 176.578 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.466 HD13 HD11 ' B' ' 54' ' ' LEU . 28.6 mt -70.39 -62.43 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.096 -176.675 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.694 ' HG ' ' O ' ' B' ' 33' ' ' VAL . 2.9 pp -57.89 -26.48 62.2 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 112.958 0.725 . . . . 0.0 112.958 -171.671 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . 0.574 ' N ' HD12 ' B' ' 37' ' ' LEU . . . -88.35 -41.67 12.7 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 -176.688 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' HIS . . . . . 0.453 ' HB2' HD11 ' B' ' 20' ' ' LEU . 56.5 m-70 -75.57 -30.37 59.65 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.492 -0.483 . . . . 0.0 111.244 -175.64 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.408 ' HB3' ' CE1' ' B' ' 16' ' ' HIS . 1.0 OUTLIER -103.4 80.54 1.83 Allowed 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 122.263 1.03 . . . . 0.0 110.948 172.241 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -89.21 39.81 0.96 Allowed 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.177 -0.919 . . . . 0.0 109.366 176.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . 0.441 HG21 ' CD ' ' B' ' 13' ' ' GLU . 2.6 t -88.72 -28.59 20.45 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.43 -1.259 . . . . 0.0 110.73 -177.285 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . 0.564 ' O ' ' HD3' ' B' ' 45' ' ' ARG . 0.2 OUTLIER -112.66 126.08 28.9 Favored Pre-proline 0 C--N 1.326 -0.448 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 -179.73 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -76.8 102.73 1.65 Allowed 'Trans proline' 0 N--CA 1.46 -0.452 0 C-N-CA 121.505 1.47 . . . . 0.0 111.171 171.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . 0.564 ' HD3' ' O ' ' B' ' 43' ' ' VAL . 0.0 OUTLIER -148.06 174.39 11.97 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.759 -176.325 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 14.9 t -83.05 161.3 21.73 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 172.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . 0.462 ' HD2' HD22 ' B' ' 37' ' ' LEU . 18.6 mmt180 -68.41 -28.42 67.07 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.3 0.571 . . . . 0.0 110.304 -175.096 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.405 ' HD3' ' N ' ' B' ' 49' ' ' GLN . 0.4 OUTLIER -55.54 -32.08 62.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.812 176.846 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.407 ' HB2' ' HG3' ' B' ' 45' ' ' ARG . 41.6 mt-30 -64.3 -44.33 91.94 Favored 'General case' 0 CA--C 1.512 -0.517 0 N-CA-C 111.556 0.206 . . . . 0.0 111.556 -177.236 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.541 HD11 ' CZ ' ' B' ' 45' ' ' ARG . 4.3 mp -61.85 -49.04 85.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 120.968 0.413 . . . . 0.0 110.037 -177.219 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.482 HG23 ' CD2' ' B' ' 66' ' ' PHE . 71.6 mt -57.6 -47.29 85.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.119 178.615 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' HIS . . . . . 0.634 ' HB3' ' NE2' ' B' ' 56' ' ' GLN . 4.4 m-70 -74.1 -48.49 29.28 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 114.665 -1.152 . . . . 0.0 112.586 -172.291 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' HIS . . . . . 0.455 ' HB2' HD21 ' B' ' 17' ' ' LEU . 13.3 m-70 -54.89 -33.75 62.3 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 120.937 0.399 . . . . 0.0 111.195 -176.256 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . 0.546 HD22 HD11 ' B' ' 59' ' ' LEU . 74.3 mt -74.19 -47.34 36.3 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.827 -177.307 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . 0.435 HG11 ' C ' ' B' ' 62' ' ' SER . 34.7 m -72.45 -22.49 20.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.156 0.503 . . . . 0.0 110.306 178.314 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' GLN . . . . . 0.634 ' NE2' ' HB3' ' B' ' 52' ' ' HIS . 50.8 mt-30 -71.56 -24.52 61.94 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.221 175.535 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 73.4 mtm -91.34 2.77 56.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.95 0.405 . . . . 0.0 110.804 177.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 67.98 14.74 66.2 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 121.094 -0.574 . . . . 0.0 112.876 176.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.546 HD11 HD22 ' B' ' 54' ' ' LEU . 4.0 pp -97.17 -20.08 18.19 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.566 0.698 . . . . 0.0 109.871 178.378 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . 0.441 ' N ' HD12 ' B' ' 59' ' ' LEU . . . -112.58 150.49 31.29 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.248 171.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -68.09 -66.74 0.53 Allowed 'General case' 0 C--N 1.322 -0.621 0 O-C-N 123.334 0.396 . . . . 0.0 111.715 -174.069 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . 0.435 ' C ' HG11 ' B' ' 55' ' ' VAL . 14.6 m -154.71 176.58 12.26 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.09 -0.504 . . . . 0.0 109.772 -174.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 47.0 t -63.83 -27.73 43.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.43 0.634 . . . . 0.0 109.6 174.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -61.23 -25.19 66.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.204 178.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -66.02 -36.93 84.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.675 0.75 . . . . 0.0 109.983 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' PHE . . . . . 0.482 ' CD2' HG23 ' B' ' 51' ' ' ILE . 38.6 m-85 . . . . . 0 C--N 1.319 -0.725 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.348 -179.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . 0.453 HG21 ' HG2' ' B' ' 109' ' ' ARG . 11.7 m . . . . . 0 N--CA 1.443 -0.775 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.449 ' O ' HD12 ' B' ' 75' ' ' LEU . 0.4 OUTLIER -49.85 91.74 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.94 0 O-C-N 123.92 0.763 . . . . 0.0 112.539 179.745 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 76' ' ' TRP . . . . . 0.565 ' CH2' HD22 ' B' ' 84' ' ' LEU . 64.8 m95 -92.22 109.9 21.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.015 0.436 . . . . 0.0 111.008 176.649 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 77' ' ' THR . . . . . 0.589 ' O ' ' HG3' ' B' ' 81' ' ' GLU . 72.6 p -107.11 164.64 11.98 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.984 177.072 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -53.52 -43.75 67.28 Favored Glycine 0 CA--C 1.519 0.313 0 C-N-CA 121.37 -0.443 . . . . 0.0 112.846 -177.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -64.65 -41.65 95.97 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.661 0.267 . . . . 0.0 110.536 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -69.31 -31.7 70.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.798 -178.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 81' ' ' GLU . . . . . 0.589 ' HG3' ' O ' ' B' ' 77' ' ' THR . 48.0 mt-10 -63.66 -36.76 84.9 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 174.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 20.4 tp -69.7 -42.38 74.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.304 175.268 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -56.98 -43.57 81.82 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.263 177.273 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . 0.565 HD22 ' CH2' ' B' ' 76' ' ' TRP . 58.2 tp -57.36 -53.06 62.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.945 175.343 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . 0.419 ' O ' ' HG3' ' B' ' 89' ' ' GLU . 0.0 OUTLIER -58.67 -48.68 80.25 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.385 -177.832 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 45.0 mtm180 -61.83 -52.28 64.81 Favored 'General case' 0 C--N 1.333 -0.139 0 C-N-CA 121.206 -0.198 . . . . 0.0 111.426 -177.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 87' ' ' LEU . . . . . 0.538 HD21 HD22 ' B' ' 104' ' ' ASN . 8.8 mp -61.68 -41.32 97.4 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.737 0.303 . . . . 0.0 111.278 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.483 ' O ' ' HB2' ' B' ' 92' ' ' ARG . 27.5 t80 -52.08 -42.76 63.46 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.731 178.507 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . 0.419 ' HG3' ' O ' ' B' ' 85' ' ' GLN . 37.2 mt-10 -80.37 -37.07 33.07 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.81 0.338 . . . . 0.0 110.777 179.203 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -65.97 -41.43 91.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.165 -175.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -99.29 14.52 29.28 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.016 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 92' ' ' ARG . . . . . 0.763 ' HA ' HG22 ' B' ' 97' ' ' VAL . 44.3 ttt180 -69.89 -27.36 64.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.956 0.408 . . . . 0.0 111.425 -177.281 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -86.78 13.31 9.04 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.096 0.474 . . . . 0.0 111.064 -177.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 78.8 p -104.63 -177.08 3.26 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 177.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -67.21 -41.47 85.73 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.809 0.338 . . . . 0.0 111.458 -176.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 96' ' ' ASP . . . . . 0.433 ' O ' ' HD2' ' B' ' 100' ' ' HIS . 12.7 t0 -140.24 117.01 10.94 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.672 -177.041 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 97' ' ' VAL . . . . . 0.763 HG22 ' HA ' ' B' ' 92' ' ' ARG . 46.0 t -70.43 -54.11 19.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.941 0.4 . . . . 0.0 111.141 -178.567 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . 0.428 ' HG ' HG21 ' B' ' 114' ' ' ILE . 7.8 mp -59.07 -39.77 83.12 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.288 -173.436 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -56.61 -39.31 85.3 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.918 -0.658 . . . . 0.0 111.552 178.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 100' ' ' HIS . . . . . 0.433 ' HD2' ' O ' ' B' ' 96' ' ' ASP . 69.9 m-70 -80.92 -27.28 36.22 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.747 0.308 . . . . 0.0 110.331 -178.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 101' ' ' ILE . . . . . 0.442 ' O ' HG22 ' B' ' 105' ' ' ILE . 53.6 mt -60.48 -61.42 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.525 176.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 2.2 ptp -65.01 -27.44 68.82 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -175.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -72.46 -41.06 66.51 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 121.101 -0.24 . . . . 0.0 111.368 178.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 104' ' ' ASN . . . . . 0.538 HD22 HD21 ' B' ' 87' ' ' LEU . 12.6 t30 -94.96 -13.91 24.9 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 -171.23 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 105' ' ' ILE . . . . . 0.534 HG12 HH21 ' B' ' 109' ' ' ARG . 10.6 tp -90.21 147.74 5.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 C-N-CA 119.933 -0.707 . . . . 0.0 110.958 -177.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 5.2 t -67.91 -21.86 65.11 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 114.64 -1.163 . . . . 0.0 112.147 -174.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 107' ' ' ALA . . . . . 0.499 ' O ' HG23 ' B' ' 105' ' ' ILE . . . -101.37 127.44 48.0 Favored 'General case' 0 CA--C 1.514 -0.413 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 177.118 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 108' ' ' LYS . . . . . 0.41 ' HA ' ' HE2' ' B' ' 108' ' ' LYS . 10.6 mmpt? -74.44 101.88 4.27 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 178.066 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 109' ' ' ARG . . . . . 0.534 HH21 HG12 ' B' ' 105' ' ' ILE . 41.8 mtm105 -116.38 121.31 41.53 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.591 -175.297 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 110' ' ' SER . . . . . 0.475 ' O ' HG13 ' B' ' 114' ' ' ILE . 23.8 t -70.63 156.09 39.9 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.549 -176.163 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 31.5 mmm-85 -55.22 -47.64 75.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 114.937 -1.029 . . . . 0.0 111.398 -173.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -61.33 -35.84 78.5 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.068 -174.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 113' ' ' ARG . . . . . 0.409 ' CZ ' ' HB3' ' B' ' 110' ' ' SER . 0.0 OUTLIER -82.58 -25.16 33.52 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.691 -177.684 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 114' ' ' ILE . . . . . 0.475 HG13 ' O ' ' B' ' 110' ' ' SER . 61.4 mt -71.41 -44.71 71.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 176.053 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 115' ' ' VAL . . . . . 0.413 HG22 ' CD1' ' B' ' 130' ' ' LEU . 33.2 t -55.8 -53.65 35.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.215 177.713 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -59.45 -38.8 81.69 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.469 -176.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . 0.514 ' HD3' HD13 ' B' ' 121' ' ' LEU . 5.8 tmtm? -72.78 -31.65 65.02 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.758 -176.04 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . 0.469 HD12 HD22 ' B' ' 130' ' ' LEU . 13.3 mt -61.59 -52.23 65.27 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 121.227 0.537 . . . . 0.0 110.358 173.24 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 119' ' ' LEU . . . . . 0.402 HD23 ' O ' ' B' ' 115' ' ' VAL . 4.6 mm? -57.49 -34.91 69.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.833 -1.076 . . . . 0.0 110.585 -179.123 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -70.0 -41.71 73.99 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.223 -0.899 . . . . 0.0 111.171 -178.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 121' ' ' LEU . . . . . 0.514 HD13 ' HD3' ' B' ' 117' ' ' LYS . 7.8 mp -69.68 -25.22 63.78 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.956 175.094 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 79.71 30.44 43.98 Favored Glycine 0 N--CA 1.44 -1.092 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 -171.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . 0.462 HD12 HD22 ' B' ' 118' ' ' LEU . 33.6 mt -74.37 -24.97 59.23 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-O 121.613 0.72 . . . . 0.0 109.099 178.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 124' ' ' VAL . . . . . 0.449 HG21 HD21 ' B' ' 130' ' ' LEU . 18.6 m -141.0 172.58 10.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 114.52 -1.218 . . . . 0.0 109.942 177.02 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -116.95 -6.86 11.43 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.259 178.205 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -161.97 162.87 29.16 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.319 -0.855 . . . . 0.0 109.358 -175.039 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 127' ' ' ARG . . . . . 0.792 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 82.4 mtt180 -77.92 -19.96 53.71 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.269 0.557 . . . . 0.0 110.803 -179.416 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 128' ' ' ARG . . . . . . . . . . . . . 32.6 ttp180 -58.47 -35.74 72.64 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.069 176.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -75.01 -7.09 52.68 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.933 -0.576 . . . . 0.0 112.469 -174.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 130' ' ' LEU . . . . . 0.792 ' HG ' ' O ' ' B' ' 127' ' ' ARG . 0.2 OUTLIER -87.38 2.77 49.4 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.733 0.777 . . . . 0.0 109.134 179.38 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 131' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 . . . . . 0 C--N 1.325 -0.488 0 CA-C-N 114.597 -1.183 . . . . 0.0 108.04 179.533 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 77.6 m95 . . . . . 0 CA--C 1.52 -0.204 0 CA-C-O 120.834 0.35 . . . . 0.0 110.681 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 15.3 t -71.11 148.22 94.04 Favored Pre-proline 0 C--N 1.321 -0.642 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 173.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_exo -43.94 -49.0 8.72 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 123.156 2.57 . . . . 0.0 113.375 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -57.92 -38.19 75.44 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.881 0.372 . . . . 0.0 110.875 178.121 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.417 ' CD ' HG21 ' B' ' 42' ' ' THR . 3.8 tp10 -72.05 -35.01 69.19 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.289 -177.381 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -64.28 -44.34 92.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.161 0.505 . . . . 0.0 109.744 174.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . 0.523 ' O ' ' HB2' ' B' ' 19' ' ' GLU . . . -67.06 -29.54 69.35 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.582 177.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.48 ' CE1' ' HB3' ' B' ' 40' ' ' LEU . 19.8 t-160 -74.35 -31.94 62.61 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.583 176.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.521 HD11 HG23 ' B' ' 50' ' ' ILE . 24.4 tp -66.86 -41.77 86.79 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 179.187 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . 0.831 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 15.3 ptm180 -77.4 -32.37 54.75 Favored 'General case' 0 N--CA 1.443 -0.794 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 176.135 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . 0.523 ' HB2' ' O ' ' B' ' 15' ' ' ALA . 6.8 tp10 -51.57 -56.89 10.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.615 0.722 . . . . 0.0 110.509 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.98 -31.44 71.15 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.823 -178.529 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' TYR . . . . . 0.463 ' O ' ' HB3' ' B' ' 25' ' ' LYS . 92.2 t80 -68.27 -46.86 69.26 Favored 'General case' 0 CA--C 1.513 -0.45 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 -179.538 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.831 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 62.1 mt -59.25 -24.64 63.36 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.715 -179.405 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.92 -31.25 35.16 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 -178.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 -127.81 17.85 6.78 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -174.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.529 ' HD3' ' HA ' ' B' ' 22' ' ' LEU . 18.6 pttm -72.22 -35.02 68.77 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -172.285 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -103.49 14.6 30.95 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.86 0.362 . . . . 0.0 111.457 -174.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 45.7 t -87.81 106.43 16.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 173.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -93.16 148.09 22.32 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.162 -175.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 92.84 -8.96 76.19 Favored Glycine 0 N--CA 1.45 -0.424 0 N-CA-C 110.741 -0.944 . . . . 0.0 110.741 -174.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -115.45 149.2 38.43 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.012 -0.594 . . . . 0.0 110.477 178.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -69.45 106.47 2.97 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.032 171.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . 0.667 ' O ' HG12 ' B' ' 36' ' ' ILE . 7.6 p -68.0 -42.92 85.79 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 C-N-CA 119.975 -0.69 . . . . 0.0 109.749 178.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . 0.735 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 11.7 p -67.21 -40.61 85.42 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.492 0 C-N-CA 120.989 -0.284 . . . . 0.0 110.536 -174.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -69.9 -32.44 70.75 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 -178.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . 0.455 ' O ' ' HD2' ' B' ' 39' ' ' HIS . . . -59.47 -41.82 90.61 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.141 0.496 . . . . 0.0 109.954 173.339 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.667 HG12 ' O ' ' B' ' 32' ' ' VAL . 6.8 mm -72.06 -64.79 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.403 -177.678 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.735 ' HG ' ' O ' ' B' ' 33' ' ' VAL . 2.9 pp -63.57 -25.58 68.3 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 -170.083 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . 0.522 ' N ' HD12 ' B' ' 37' ' ' LEU . . . -82.74 -38.75 22.84 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -178.498 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' HIS . . . . . 0.455 ' HD2' ' O ' ' B' ' 35' ' ' ALA . 68.0 m-70 -75.35 -29.48 59.93 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.191 -0.603 . . . . 0.0 110.849 -176.627 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.577 ' HG ' ' O ' ' B' ' 36' ' ' ILE . 0.8 OUTLIER -98.65 80.24 2.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.932 0.873 . . . . 0.0 110.492 172.487 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -82.2 38.52 0.54 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.753 0.787 . . . . 0.0 109.956 179.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . 0.433 HG22 ' HB2' ' B' ' 40' ' ' LEU . 4.5 t -94.32 -21.44 18.99 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 114.595 -1.184 . . . . 0.0 109.702 -179.09 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 4.8 m -128.04 113.33 20.22 Favored Pre-proline 0 N--CA 1.451 -0.378 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.271 -179.312 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -77.92 89.5 1.33 Allowed 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 122.138 1.892 . . . . 0.0 111.026 175.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 79.4 mtt-85 -133.02 176.97 8.02 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.473 -173.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . 0.584 ' OG1' ' HG2' ' B' ' 49' ' ' GLN . 43.2 p -78.7 169.01 18.9 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.013 177.524 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . 0.433 ' O ' HG13 ' B' ' 51' ' ' ILE . 6.0 mmt180 -72.72 -23.99 60.92 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 179.177 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -68.63 -38.39 80.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 114.98 -1.009 . . . . 0.0 111.485 -178.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.584 ' HG2' ' OG1' ' B' ' 46' ' ' THR . 13.9 mm100 -62.54 -46.42 88.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.863 -173.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.521 HG23 HD11 ' B' ' 17' ' ' LEU . 2.4 mp -63.32 -48.53 86.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 121.101 -0.24 . . . . 0.0 110.648 179.678 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.433 HG13 ' O ' ' B' ' 47' ' ' ARG . 70.1 mt -51.85 -46.96 40.95 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-O 121.599 0.714 . . . . 0.0 110.433 178.389 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -65.44 -49.38 69.37 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.899 -1.046 . . . . 0.0 113.038 -172.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' HIS . . . . . 0.428 ' O ' ' HB2' ' B' ' 57' ' ' MET . 70.6 m-70 -61.65 -27.93 69.02 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 118.414 0.552 . . . . 0.0 111.625 -177.361 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . 0.475 HD22 HD11 ' B' ' 59' ' ' LEU . 65.1 mt -81.87 -45.44 15.49 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.271 -174.465 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . 0.516 ' HA ' ' HB3' ' B' ' 60' ' ' ALA . 9.8 m -72.14 -25.64 23.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.189 0.519 . . . . 0.0 110.287 178.495 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -80.69 -18.48 47.79 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.122 177.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.428 ' HB2' ' O ' ' B' ' 53' ' ' HIS . 31.3 ttm -82.97 -8.1 59.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.058 0.456 . . . . 0.0 110.25 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 85.79 -1.6 87.99 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.616 177.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.475 HD11 HD22 ' B' ' 54' ' ' LEU . 3.9 pp -86.04 -22.97 26.95 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.147 0.499 . . . . 0.0 110.599 -179.509 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . 0.516 ' HB3' ' HA ' ' B' ' 55' ' ' VAL . . . -112.69 163.14 14.91 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.097 175.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -71.89 -66.39 0.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.153 0.501 . . . . 0.0 110.655 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . 0.456 ' OG ' ' HE3' ' B' ' 64' ' ' LYS . 73.5 p -164.29 177.91 7.93 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.793 -175.684 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 2.5 t -57.02 -36.8 52.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.841 -178.045 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . 0.456 ' HE3' ' OG ' ' B' ' 62' ' ' SER . 0.0 OUTLIER -64.83 -17.58 64.37 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.168 -174.774 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -73.86 -32.36 63.6 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.112 0.482 . . . . 0.0 110.172 179.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' PHE . . . . . 0.425 ' HD2' ' HB ' ' B' ' 33' ' ' VAL . 1.1 m-85 . . . . . 0 CA--C 1.515 -0.385 0 CA-C-O 121.761 0.791 . . . . 0.0 109.092 176.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . 0.413 HG21 ' HD2' ' B' ' 109' ' ' ARG . 0.1 OUTLIER . . . . . 0 N--CA 1.438 -1.066 0 N-CA-C 107.476 -1.305 . . . . 0.0 107.476 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 3.8 pp -48.62 137.51 11.84 Favored 'General case' 0 N--CA 1.463 0.219 0 O-C-N 123.775 0.672 . . . . 0.0 111.84 -166.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 76' ' ' TRP . . . . . 0.499 ' CZ2' ' HG2' ' B' ' 117' ' ' LYS . 56.1 m95 -125.41 142.98 51.2 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.3 -0.863 . . . . 0.0 111.022 -178.104 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 77' ' ' THR . . . . . 0.532 ' O ' ' HG3' ' B' ' 81' ' ' GLU . 79.6 p -125.7 161.67 26.77 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 172.485 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -59.12 -33.86 76.78 Favored Glycine 0 C--O 1.235 0.2 0 C-N-CA 120.516 -0.85 . . . . 0.0 111.767 177.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -72.77 -29.79 63.59 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 120.864 0.364 . . . . 0.0 110.374 177.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -75.88 -34.92 60.02 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 178.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 81' ' ' GLU . . . . . 0.638 ' O ' ' HB2' ' B' ' 85' ' ' GLN . 46.1 mt-10 -60.33 -37.17 79.77 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.782 179.612 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . 0.502 ' O ' ' HG3' ' B' ' 86' ' ' ARG . 4.6 pp -83.8 -24.02 31.19 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.744 176.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -65.16 -57.21 9.13 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 179.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . 0.617 HD21 HG23 ' B' ' 114' ' ' ILE . 21.7 tp -69.36 -25.48 64.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.107 179.372 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . 0.638 ' HB2' ' O ' ' B' ' 81' ' ' GLU . 0.7 OUTLIER -60.04 -54.2 48.77 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.978 176.467 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 86' ' ' ARG . . . . . 0.502 ' HG3' ' O ' ' B' ' 82' ' ' LEU . 47.0 mtp180 -74.16 -39.33 63.33 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.846 -178.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 10.2 tp -53.94 -43.18 69.59 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.381 0.61 . . . . 0.0 109.653 176.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.66 ' O ' ' HG3' ' B' ' 92' ' ' ARG . 8.0 t80 -55.8 -58.41 7.96 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.037 -0.983 . . . . 0.0 111.615 175.07 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -58.28 -47.65 82.95 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.976 0.417 . . . . 0.0 111.116 -177.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -53.64 -37.83 63.5 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.152 -0.931 . . . . 0.0 112.334 -176.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 91' ' ' PHE . . . . . 0.465 ' HB2' HG23 ' B' ' 97' ' ' VAL . 68.1 m-85 -105.35 11.86 32.31 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.859 0.688 . . . . 0.0 112.859 -174.563 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 92' ' ' ARG . . . . . 0.66 ' HG3' ' O ' ' B' ' 88' ' ' PHE . 78.4 mtp180 -72.04 -12.07 61.05 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 122.041 0.924 . . . . 0.0 109.008 170.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -69.09 -16.03 63.58 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.109 -1.405 . . . . 0.0 110.105 175.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 13.2 t -105.03 167.96 9.37 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.892 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -67.09 -48.24 68.8 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.316 0.579 . . . . 0.0 111.002 -177.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 52.9 t0 -114.07 99.52 7.7 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 178.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 97' ' ' VAL . . . . . 0.472 ' O ' HG13 ' B' ' 101' ' ' ILE . 9.9 p -67.08 -39.38 83.13 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.59 -178.629 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . 0.582 ' HB2' ' NH1' ' B' ' 111' ' ' ARG . 4.7 mp -70.64 -29.93 66.42 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-O 120.706 0.289 . . . . 0.0 110.609 -175.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -60.53 -46.09 95.05 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.793 -0.718 . . . . 0.0 111.445 174.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 38.1 m-70 -72.85 -35.47 67.25 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 110.124 -0.325 . . . . 0.0 110.124 177.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 101' ' ' ILE . . . . . 0.518 HD12 ' HA ' ' B' ' 98' ' ' LEU . 32.2 mt -50.73 -59.46 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 O-C-N 123.429 0.456 . . . . 0.0 110.816 176.122 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 60.3 mtt -58.24 -40.25 81.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.953 -176.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -78.13 -26.19 47.77 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.347 -174.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -109.83 4.38 21.63 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 -173.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 105' ' ' ILE . . . . . 0.453 HG12 ' H ' ' B' ' 107' ' ' ALA . 15.9 tt -109.36 157.89 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.384 0.612 . . . . 0.0 111.074 177.684 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 6.8 t -77.09 -20.46 55.7 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.743 -1.117 . . . . 0.0 111.245 -178.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 107' ' ' ALA . . . . . 0.453 ' H ' HG12 ' B' ' 105' ' ' ILE . . . -98.77 128.16 44.92 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.902 0.382 . . . . 0.0 110.996 -175.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 108' ' ' LYS . . . . . 0.444 ' HA ' ' HE2' ' B' ' 108' ' ' LYS . 8.4 mmpt? -96.77 103.05 14.94 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 179.108 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 109' ' ' ARG . . . . . 0.413 ' HD2' HG21 ' B' ' 74' ' ' VAL . 9.9 ptm180 -137.95 -177.79 4.97 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.984 -175.152 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 22.7 p -97.05 164.26 12.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.893 -174.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 111' ' ' ARG . . . . . 0.582 ' NH1' ' HB2' ' B' ' 98' ' ' LEU . 11.7 mmt180 -63.85 -45.06 91.2 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.664 178.024 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 112' ' ' ALA . . . . . 0.467 ' O ' ' HB2' ' B' ' 116' ' ' ASP . . . -58.74 -29.84 67.04 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.888 -175.383 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 113' ' ' ARG . . . . . 0.481 ' NH2' ' HB3' ' B' ' 116' ' ' ASP . 0.0 OUTLIER -83.73 -30.73 26.48 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 -179.207 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 114' ' ' ILE . . . . . 0.617 HG23 HD21 ' B' ' 84' ' ' LEU . 93.6 mt -76.37 -47.22 30.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 C-N-CA 121.024 -0.27 . . . . 0.0 110.643 179.209 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 115' ' ' VAL . . . . . 0.578 ' O ' HD23 ' B' ' 119' ' ' LEU . 19.7 m -61.78 -36.16 72.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.057 0.456 . . . . 0.0 110.501 179.609 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 116' ' ' ASP . . . . . 0.481 ' HB3' ' NH2' ' B' ' 113' ' ' ARG . 28.4 t0 -71.03 -34.36 71.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.497 -178.183 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . 0.532 ' HE3' HD11 ' B' ' 121' ' ' LEU . 53.8 tptt -70.78 -38.38 73.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.303 -179.276 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . 0.509 HD22 HD12 ' B' ' 123' ' ' LEU . 22.1 mt -59.64 -47.39 85.78 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-O 120.78 0.324 . . . . 0.0 111.006 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 119' ' ' LEU . . . . . 0.578 HD23 ' O ' ' B' ' 115' ' ' VAL . 4.6 mm? -65.98 -28.42 68.88 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.894 -177.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -75.44 -34.67 61.0 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.432 -178.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 121' ' ' LEU . . . . . 0.532 HD11 ' HE3' ' B' ' 117' ' ' LYS . 9.2 mp -78.79 -25.24 44.28 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.642 172.262 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 76.24 35.23 43.72 Favored Glycine 0 N--CA 1.442 -0.938 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 -171.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . 0.509 HD12 HD22 ' B' ' 118' ' ' LEU . 42.3 mt -74.37 -21.98 59.41 Favored 'General case' 0 CA--C 1.513 -0.452 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 176.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 124' ' ' VAL . . . . . 0.703 HG21 HD21 ' B' ' 130' ' ' LEU . 15.5 m -146.06 178.54 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 113.952 -1.476 . . . . 0.0 108.714 174.674 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -116.81 -7.61 11.44 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.004 0.43 . . . . 0.0 110.752 179.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 126' ' ' GLU . . . . . 0.447 ' OE1' ' HD2' ' B' ' 128' ' ' ARG . 11.1 pt-20 -161.87 162.41 29.27 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.097 -176.288 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 127' ' ' ARG . . . . . 0.621 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 0.8 OUTLIER -78.73 -21.52 47.9 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.449 179.237 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 128' ' ' ARG . . . . . 0.447 ' HD2' ' OE1' ' B' ' 126' ' ' GLU . 36.1 mtt180 -60.71 -29.52 69.4 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.273 0.559 . . . . 0.0 110.726 -176.366 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -83.45 -7.41 59.56 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.417 -0.811 . . . . 0.0 111.773 -174.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 130' ' ' LEU . . . . . 0.703 HD21 HG21 ' B' ' 124' ' ' VAL . 0.2 OUTLIER -91.3 -11.77 37.05 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.009 0.433 . . . . 0.0 109.881 -179.51 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 131' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 . . . . . 0 C--N 1.329 -0.287 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 179.017 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' TRP . . . . . 0.482 ' CZ3' ' HG2' ' B' ' 13' ' ' GLU . 73.1 m95 . . . . . 0 N--CA 1.451 -0.391 0 CA-C-O 121.052 0.453 . . . . 0.0 111.661 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 74.8 p -90.35 157.44 44.86 Favored Pre-proline 0 C--N 1.318 -0.775 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 174.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_exo -56.65 -20.9 36.52 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.364 2.043 . . . . 0.0 111.771 176.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -83.17 -46.87 12.21 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.276 -179.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.482 ' HG2' ' CZ3' ' B' ' 9' ' ' TRP . 21.7 tt0 -65.18 -40.13 93.83 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.372 -178.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . 0.506 ' O ' ' HB2' ' B' ' 17' ' ' LEU . 46.5 mt-10 -67.29 -37.8 83.98 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.031 179.034 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.19 -36.15 83.12 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-O 121.039 0.447 . . . . 0.0 110.495 179.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.471 ' HA ' ' HB3' ' B' ' 19' ' ' GLU . 5.5 t-160 -63.22 -29.39 70.74 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.666 177.287 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.506 ' HB2' ' O ' ' B' ' 14' ' ' GLU . 72.8 mt -58.61 -61.09 2.86 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-O 120.9 0.381 . . . . 0.0 110.04 174.304 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . 0.707 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 13.8 ptm180 -65.84 -31.18 71.99 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.03 178.41 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . 0.471 ' HB3' ' HA ' ' B' ' 16' ' ' HIS . 12.6 tp10 -51.55 -57.49 8.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.835 0.826 . . . . 0.0 110.119 177.535 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.53 HD11 ' HB2' ' B' ' 39' ' ' HIS . 0.7 OUTLIER -72.61 -28.06 62.55 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.799 -1.091 . . . . 0.0 111.653 -177.889 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 44.7 t80 -73.37 -52.31 14.25 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.262 -177.156 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.707 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 55.6 mt -59.56 -26.9 65.76 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.555 -178.759 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.35 -56.8 4.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.726 176.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 -85.93 -8.83 57.74 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 -171.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 14.8 ptmm? -70.7 -13.65 62.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.123 0.487 . . . . 0.0 110.222 179.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -75.54 -15.69 60.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.303 0.573 . . . . 0.0 110.06 178.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 34.6 t -91.0 111.1 23.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.129 -179.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -84.48 128.25 34.48 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.881 -176.276 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.0 3.14 65.91 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.505 177.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -103.63 146.65 28.25 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.733 0.302 . . . . 0.0 110.98 179.04 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -64.67 94.49 0.12 Allowed 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.47 170.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . 0.418 ' O ' HG13 ' B' ' 36' ' ' ILE . 6.4 p -69.08 -31.17 49.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 176.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . 0.607 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 1.0 OUTLIER -55.45 -51.25 59.14 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.302 0 CA-C-N 114.74 -1.118 . . . . 0.0 110.116 178.814 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.443 ' N ' HG22 ' B' ' 33' ' ' VAL . 34.2 tt0 -71.54 -42.38 67.97 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.14 -174.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.55 -45.18 37.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.262 0.553 . . . . 0.0 111.006 178.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.475 HG22 HD11 ' B' ' 40' ' ' LEU . 58.1 mt -71.37 -63.58 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.18 -177.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.607 ' HG ' ' O ' ' B' ' 33' ' ' VAL . 3.7 pp -61.69 -19.79 62.75 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 -173.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -80.16 -41.22 25.76 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.49 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' HIS . . . . . 0.53 ' HB2' HD11 ' B' ' 20' ' ' LEU . 31.1 m-70 -79.25 -21.51 46.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.112 0.482 . . . . 0.0 109.709 -178.566 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.475 HD11 HG22 ' B' ' 36' ' ' ILE . 58.5 mt -76.82 81.1 3.41 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.665 176.365 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -106.94 38.32 2.13 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.809 0.814 . . . . 0.0 109.249 177.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 9.1 t -103.97 -20.67 13.8 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.144 176.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . 0.475 HG21 ' NE ' ' B' ' 45' ' ' ARG . 7.4 p -141.32 128.67 11.83 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.99 -173.352 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -72.38 88.54 0.86 Allowed 'Trans proline' 0 N--CA 1.462 -0.363 0 C-N-CA 122.186 1.924 . . . . 0.0 111.784 175.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . 0.475 ' NE ' HG21 ' B' ' 43' ' ' VAL . 35.8 mmt180 -109.28 171.02 7.68 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.186 179.707 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 26.8 p -98.29 165.77 11.71 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 165.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . 0.522 ' HG3' HD22 ' B' ' 37' ' ' LEU . 0.1 OUTLIER -62.69 -35.51 79.94 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.009 0.433 . . . . 0.0 109.94 -178.539 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -52.64 -39.23 61.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.719 179.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -65.78 -49.55 67.94 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.744 -172.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 2.3 mp -60.42 -51.22 75.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 C-N-CA 121.146 -0.222 . . . . 0.0 111.214 -176.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.508 HG13 ' CD1' ' B' ' 66' ' ' PHE . 2.4 mp -55.73 -46.94 79.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-O 121.209 0.528 . . . . 0.0 110.579 178.714 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -63.73 -50.38 69.33 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.474 -0.785 . . . . 0.0 112.28 -175.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' HIS . . . . . 0.479 ' O ' ' HB2' ' B' ' 57' ' ' MET . 51.7 m-70 -61.88 -23.7 66.46 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -176.754 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . 0.414 HD22 HD11 ' B' ' 59' ' ' LEU . 30.1 mt -82.79 -50.33 8.78 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.975 -176.576 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . 0.533 ' HA ' ' HB3' ' B' ' 60' ' ' ALA . 6.9 m -70.93 -24.61 24.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.249 0.547 . . . . 0.0 110.168 -179.384 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -83.03 -17.18 44.24 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.987 176.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.479 ' HB2' ' O ' ' B' ' 53' ' ' HIS . 34.0 ttm -80.24 -8.99 59.71 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.137 0.494 . . . . 0.0 110.1 176.664 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 86.49 -2.59 87.41 Favored Glycine 0 N--CA 1.452 -0.247 0 CA-C-N 115.895 -0.593 . . . . 0.0 112.889 175.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.512 HD12 ' N ' ' B' ' 60' ' ' ALA . 3.2 pp -84.67 -24.41 29.02 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.633 0.254 . . . . 0.0 110.756 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . 0.533 ' HB3' ' HA ' ' B' ' 55' ' ' VAL . . . -108.69 157.22 18.74 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.743 176.567 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -62.32 -66.1 0.59 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.247 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 20.3 p -164.53 177.23 8.28 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.974 -176.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 2.1 t -53.03 -33.37 19.55 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.505 178.284 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 19.4 mtmm -71.18 -13.22 61.86 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.232 -0.894 . . . . 0.0 111.836 -172.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -77.3 -19.4 56.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.896 0.855 . . . . 0.0 109.455 178.388 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' PHE . . . . . 0.508 ' CD1' HG13 ' B' ' 51' ' ' ILE . 19.5 m-85 . . . . . 0 C--N 1.326 -0.452 0 CA-C-N 114.769 -1.105 . . . . 0.0 109.755 178.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 5.8 m . . . . . 0 N--CA 1.434 -1.236 0 N-CA-C 107.365 -1.346 . . . . 0.0 107.365 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -48.14 89.42 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 113.272 0.841 . . . . 0.0 113.272 -166.497 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 76' ' ' TRP . . . . . 0.57 ' HA ' HE21 ' B' ' 80' ' ' GLN . 81.9 m95 -84.1 108.11 16.84 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 121.537 0.684 . . . . 0.0 110.498 -178.076 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 42.6 p -115.84 177.63 4.61 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 114.908 -1.042 . . . . 0.0 108.754 176.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.43 -32.31 64.15 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.217 -0.992 . . . . 0.0 110.982 172.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . 0.515 ' O ' ' HG3' ' B' ' 83' ' ' GLU . 1.4 m-20 -62.08 -61.67 2.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.233 -0.483 . . . . 0.0 110.517 176.189 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 80' ' ' GLN . . . . . 0.57 HE21 ' HA ' ' B' ' 76' ' ' TRP . 7.8 tt0 -64.63 -28.16 69.43 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.686 -176.272 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -59.75 -48.4 81.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.589 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . 0.411 HD12 ' N ' ' B' ' 83' ' ' GLU . 4.6 pp -77.16 -26.36 52.94 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.837 179.736 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . 0.515 ' HG3' ' O ' ' B' ' 79' ' ' ASP . 55.5 mt-10 -61.31 -44.82 96.56 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 120.983 0.421 . . . . 0.0 109.962 175.649 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . 0.454 HD11 HG23 ' B' ' 114' ' ' ILE . 40.7 tp -64.61 -46.56 82.1 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.139 176.714 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -54.6 -51.3 65.75 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.201 -179.073 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 41.8 mtm105 -59.77 -52.11 66.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.237 -178.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 87' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' B' ' 83' ' ' GLU . 41.1 mt -63.09 -37.45 87.26 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.691 0.281 . . . . 0.0 111.262 -177.328 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.63 ' O ' ' HB2' ' B' ' 92' ' ' ARG . 34.9 t80 -53.2 -46.59 69.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.544 175.688 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -80.56 -31.84 36.78 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.295 -178.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -71.96 -33.97 68.61 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -174.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -113.18 15.72 19.34 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.819 0.342 . . . . 0.0 110.767 179.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 92' ' ' ARG . . . . . 0.63 ' HB2' ' O ' ' B' ' 88' ' ' PHE . 39.1 ttt180 -65.44 -22.63 66.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.776 -174.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -75.87 0.39 18.36 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.586 -179.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 9.5 t -105.15 147.16 28.27 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 176.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -59.84 -45.07 93.55 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.974 0.416 . . . . 0.0 111.625 -174.084 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -107.25 79.28 1.29 Allowed 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 175.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 97' ' ' VAL . . . . . 0.592 ' O ' HG13 ' B' ' 101' ' ' ILE . 2.3 p -64.14 -35.3 73.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.888 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . 0.582 ' O ' ' HG2' ' B' ' 102' ' ' MET . 5.5 mp -61.01 -38.51 86.3 Favored 'General case' 0 CA--C 1.517 -0.319 0 N-CA-C 111.518 0.192 . . . . 0.0 111.518 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -55.14 -40.55 74.98 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.963 -0.637 . . . . 0.0 111.887 177.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -78.46 -33.72 48.19 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 -179.022 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 101' ' ' ILE . . . . . 0.592 HG13 ' O ' ' B' ' 97' ' ' VAL . 65.4 mt -57.34 -64.03 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.676 177.123 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 102' ' ' MET . . . . . 0.582 ' HG2' ' O ' ' B' ' 98' ' ' LEU . 11.6 ptp -68.21 -15.22 63.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.744 -175.558 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -81.56 -48.93 11.15 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 121.119 -0.232 . . . . 0.0 110.995 178.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -94.29 -2.32 52.47 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 -169.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 105' ' ' ILE . . . . . 0.54 HG12 ' NH2' ' B' ' 109' ' ' ARG . 10.5 tp -91.54 156.8 2.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 C-N-CA 120.484 -0.487 . . . . 0.0 110.447 178.539 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 106' ' ' THR . . . . . 0.43 ' N ' HG13 ' B' ' 105' ' ' ILE . 13.7 t -65.82 -34.23 77.69 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.468 -0.787 . . . . 0.0 112.02 -175.417 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 107' ' ' ALA . . . . . 0.453 ' O ' HG23 ' B' ' 105' ' ' ILE . . . -97.98 126.53 43.44 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 178.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 108' ' ' LYS . . . . . 0.429 ' HE3' ' O ' ' B' ' 105' ' ' ILE . 0.1 OUTLIER -79.93 101.08 8.39 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 177.513 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 109' ' ' ARG . . . . . 0.54 ' NH2' HG12 ' B' ' 105' ' ' ILE . 35.5 mtt180 -100.66 164.14 12.01 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.653 -177.007 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 2.9 p -98.79 168.63 10.01 Favored 'General case' 0 C--N 1.311 -1.065 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.961 175.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 12.4 mmt85 -65.25 -42.87 92.85 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.865 -175.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.59 -27.38 66.24 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.432 179.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 113' ' ' ARG . . . . . 0.637 ' NE ' ' HA ' ' B' ' 113' ' ' ARG . 2.7 mmp_? -82.78 -32.78 27.58 Favored 'General case' 0 CA--C 1.509 -0.605 0 CA-C-O 120.978 0.418 . . . . 0.0 111.497 -179.041 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 114' ' ' ILE . . . . . 0.454 HG23 HD11 ' B' ' 84' ' ' LEU . 67.7 mt -83.03 -43.7 18.55 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.922 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.078 -177.522 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 115' ' ' VAL . . . . . 0.492 HG12 ' CD1' ' B' ' 130' ' ' LEU . 25.8 m -64.18 -39.73 86.54 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.194 0 CA-C-O 120.816 0.341 . . . . 0.0 110.628 -179.44 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -67.0 -43.61 82.49 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.636 -177.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 58.5 tptt -67.62 -31.77 72.03 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.25 0.548 . . . . 0.0 109.763 179.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . 0.533 HD21 ' CE1' ' B' ' 88' ' ' PHE . 3.6 tp -65.33 -40.73 94.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.612 178.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 119' ' ' LEU . . . . . 0.462 HD22 HG23 ' B' ' 124' ' ' VAL . 3.1 mt -67.66 -24.46 65.44 Favored 'General case' 0 N--CA 1.462 0.132 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.75 -45.26 29.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.346 -177.02 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 11.1 mp -63.37 -24.66 67.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.371 0.605 . . . . 0.0 109.519 171.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 68.78 34.24 77.33 Favored Glycine 0 N--CA 1.439 -1.118 0 CA-C-N 114.964 -1.016 . . . . 0.0 111.337 -176.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . 0.47 HD13 ' CD2' ' B' ' 88' ' ' PHE . 70.2 mt -68.75 -22.62 64.3 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 122.225 1.012 . . . . 0.0 108.326 171.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 124' ' ' VAL . . . . . 0.591 HG21 HD22 ' B' ' 130' ' ' LEU . 19.2 m -137.94 169.35 18.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 113.739 -1.573 . . . . 0.0 109.382 175.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -105.97 -6.15 19.04 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.436 178.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 126' ' ' GLU . . . . . 0.43 ' CD ' ' HB3' ' B' ' 128' ' ' ARG . 10.7 pt-20 -170.12 173.76 5.75 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 -174.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 127' ' ' ARG . . . . . 0.708 ' HA ' HD21 ' B' ' 130' ' ' LEU . 35.4 mtp180 -78.8 -21.83 47.2 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -177.574 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 128' ' ' ARG . . . . . 0.43 ' HB3' ' CD ' ' B' ' 126' ' ' GLU . 3.1 ttm-85 -65.1 -34.52 78.6 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 112.681 0.622 . . . . 0.0 112.681 -176.161 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -67.24 -35.21 79.09 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 111.779 0.288 . . . . 0.0 111.779 -174.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 130' ' ' LEU . . . . . 0.708 HD21 ' HA ' ' B' ' 127' ' ' ARG . 0.1 OUTLIER -82.16 15.35 2.41 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -173.235 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 131' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 . . . . . 0 C--N 1.324 -0.532 0 CA-C-O 121.195 0.521 . . . . 0.0 109.595 174.652 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 98.2 m95 . . . . . 0 N--CA 1.449 -0.511 0 CA-C-O 120.723 0.297 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 43.1 t -77.44 151.9 80.87 Favored Pre-proline 0 C--N 1.314 -0.936 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 166.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -49.42 -34.75 33.84 Favored 'Trans proline' 0 C--O 1.237 0.438 0 C-N-CA 122.273 1.982 . . . . 0.0 112.353 176.574 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -75.54 -23.84 56.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.904 178.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.548 ' OE2' HG21 ' B' ' 42' ' ' THR . 8.6 tp10 -72.83 -30.41 64.0 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -67.62 -38.29 83.71 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.443 174.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . 0.456 ' O ' ' HB2' ' B' ' 19' ' ' GLU . . . -69.44 -32.38 71.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.453 175.766 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.553 ' HA ' ' CB ' ' B' ' 19' ' ' GLU . 11.6 t-160 -76.36 -20.1 57.53 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.036 175.518 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -74.29 -47.17 36.51 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . 0.732 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 34.8 ptt180 -69.84 -29.84 67.19 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 172.663 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . 0.553 ' CB ' ' HA ' ' B' ' 16' ' ' HIS . 7.5 tp10 -54.08 -47.61 71.53 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.67 -177.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.427 HD23 ' ND2' ' B' ' 24' ' ' ASN . 0.3 OUTLIER -76.22 -30.08 57.82 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.536 -178.913 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -69.08 -51.46 38.53 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.003 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.732 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 49.9 mt -61.19 -31.49 71.25 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.908 -177.626 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.57 -23.73 49.93 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.085 -177.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' ASN . . . . . 0.427 ' ND2' HD23 ' B' ' 20' ' ' LEU . 35.7 m-80 -123.42 16.91 9.74 Favored 'General case' 0 N--CA 1.462 0.167 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -176.613 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -85.75 -13.64 47.71 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.93 0.395 . . . . 0.0 111.088 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -102.05 -2.02 30.44 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.649 -173.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 2.7 p -90.55 109.68 21.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.491 0.662 . . . . 0.0 110.154 176.015 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -89.24 149.24 23.18 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.58 -177.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.42 8.61 77.36 Favored Glycine 0 N--CA 1.451 -0.351 0 N-CA-C 110.742 -0.943 . . . . 0.0 110.742 -174.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -122.92 159.11 28.94 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.938 -0.631 . . . . 0.0 110.151 -177.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . 0.604 ' OD1' HG22 ' B' ' 33' ' ' VAL . 10.5 t70 -93.53 114.52 26.9 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 173.314 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 9.4 p -70.78 -34.16 55.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.733 0.301 . . . . 0.0 111.225 -173.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . 0.604 HG22 ' OD1' ' B' ' 31' ' ' ASP . 1.3 m -77.09 -36.55 24.87 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.541 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 -176.047 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -62.74 -28.33 69.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.796 176.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . 0.534 ' O ' ' HD2' ' B' ' 39' ' ' HIS . . . -68.86 -51.07 44.33 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.776 177.779 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 22.9 mt -67.68 -54.29 24.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.671 -178.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.706 HD23 HD13 ' B' ' 50' ' ' ILE . 34.6 mt -44.52 -42.6 7.32 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 123.897 0.748 . . . . 0.0 112.205 -178.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -89.27 -28.94 19.56 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 -169.165 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' HIS . . . . . 0.534 ' HD2' ' O ' ' B' ' 35' ' ' ALA . 67.6 m-70 -86.8 -28.81 22.72 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 -168.527 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.501 ' HG ' HH22 ' B' ' 45' ' ' ARG . 1.3 pt? -119.72 97.28 5.55 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 122.025 0.917 . . . . 0.0 111.7 -177.02 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 49.3 m-80 -89.9 40.68 1.01 Allowed 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.547 -0.752 . . . . 0.0 110.496 -178.19 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . 0.763 HG23 HG12 ' B' ' 43' ' ' VAL . 1.8 t -81.29 -28.83 34.48 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.092 -0.958 . . . . 0.0 112.503 -175.052 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . 0.763 HG12 HG23 ' B' ' 42' ' ' THR . 0.1 OUTLIER -142.02 145.2 35.1 Favored Pre-proline 0 C--N 1.323 -0.551 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 -178.672 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . 0.746 ' HD2' HG23 ' B' ' 43' ' ' VAL . 59.4 Cg_endo -67.48 105.2 1.02 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 C-N-CA 122.453 2.102 . . . . 0.0 112.554 -171.365 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . 0.686 ' CZ ' HG13 ' B' ' 43' ' ' VAL . 0.8 OUTLIER -103.57 135.1 45.78 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.724 0.773 . . . . 0.0 112.75 -171.418 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 25.4 p -90.48 171.49 9.38 Favored 'General case' 0 C--N 1.308 -1.209 0 N-CA-C 106.68 -1.6 . . . . 0.0 106.68 154.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . 0.569 ' HA ' HD21 ' B' ' 37' ' ' LEU . 1.3 mpp_? -58.59 -40.89 84.49 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.654 0.74 . . . . 0.0 109.656 175.683 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.416 ' HE2' ' HB3' ' B' ' 48' ' ' LYS . 22.3 ttpt -59.48 -33.54 71.44 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.578 -1.192 . . . . 0.0 112.398 178.6 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.527 HE22 HG22 ' B' ' 43' ' ' VAL . 0.0 OUTLIER -52.18 -61.93 1.95 Allowed 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -175.553 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.706 HD13 HD23 ' B' ' 37' ' ' LEU . 2.2 mp -65.2 -45.11 94.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.955 -178.072 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.792 HG21 HG13 ' B' ' 63' ' ' VAL . 90.6 mt -51.64 -49.18 35.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-O 121.196 0.522 . . . . 0.0 111.423 -178.286 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 1.9 m170 -61.45 -50.77 71.43 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.356 -0.838 . . . . 0.0 112.032 -176.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' HIS . . . . . 0.658 ' O ' ' HB2' ' B' ' 57' ' ' MET . 62.5 m-70 -66.93 -22.2 65.95 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.621 -0.432 . . . . 0.0 111.491 -174.458 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . 0.648 HD22 HD11 ' B' ' 59' ' ' LEU . 40.5 mt -75.99 -50.6 14.41 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.014 0.435 . . . . 0.0 110.24 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 19.2 m -69.56 -31.85 50.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.145 0.498 . . . . 0.0 110.226 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -74.22 -18.79 60.7 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.938 177.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.658 ' HB2' ' O ' ' B' ' 53' ' ' HIS . 16.3 ttm -85.51 -4.37 59.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.2 0.524 . . . . 0.0 110.158 -179.419 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 79.88 2.62 88.71 Favored Glycine 0 N--CA 1.453 -0.221 0 CA-C-N 115.79 -0.641 . . . . 0.0 112.793 176.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.648 HD11 HD22 ' B' ' 54' ' ' LEU . 4.2 pp -93.5 -16.49 24.42 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.902 0.382 . . . . 0.0 110.642 -179.344 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -121.64 160.62 24.05 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.717 176.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -74.36 -68.28 0.54 Allowed 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.273 0.471 . . . . 0.0 112.273 -177.029 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 22.0 m -157.15 162.88 39.37 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.039 0.447 . . . . 0.0 111.142 -173.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 63' ' ' VAL . . . . . 0.792 HG13 HG21 ' B' ' 51' ' ' ILE . 39.5 t -66.81 -20.61 27.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.73 175.53 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.05 -50.5 8.39 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.57 -1.195 . . . . 0.0 112.248 172.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -87.35 -6.59 58.42 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.907 -1.042 . . . . 0.0 111.567 -168.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 66' ' ' PHE . . . . . 0.571 ' CG ' HG23 ' B' ' 51' ' ' ILE . 10.8 m-85 . . . . . 0 C--N 1.325 -0.459 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.526 175.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . 0.578 ' O ' ' HD1' ' B' ' 76' ' ' TRP . 0.2 OUTLIER . . . . . 0 C--O 1.221 -0.421 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.614 ' O ' ' HG ' ' B' ' 75' ' ' LEU . 2.6 pt? -55.72 94.9 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 121.83 0.824 . . . . 0.0 110.81 179.474 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 76' ' ' TRP . . . . . 0.578 ' HD1' ' O ' ' B' ' 74' ' ' VAL . 12.1 m95 -81.3 110.29 16.61 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.166 -179.441 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 28.8 p -101.93 176.17 5.3 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.151 177.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -58.2 -41.54 94.85 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 121.255 -0.498 . . . . 0.0 112.847 -177.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . 0.654 ' O ' ' HG3' ' B' ' 83' ' ' GLU . 8.0 p-10 -65.93 -47.03 76.07 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.599 -0.148 . . . . 0.0 110.599 179.214 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -62.56 -39.23 92.97 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 121.003 0.43 . . . . 0.0 111.05 -179.337 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -66.59 -39.39 88.38 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.777 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -66.56 -43.21 85.67 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.185 176.372 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . 0.654 ' HG3' ' O ' ' B' ' 79' ' ' ASP . 86.1 mt-10 -56.35 -60.4 3.57 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.364 0.602 . . . . 0.0 111.578 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . 0.497 ' O ' HD12 ' B' ' 84' ' ' LEU . 2.7 tp -77.84 -25.54 48.8 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.605 -168.274 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . 0.609 ' O ' ' HG3' ' B' ' 89' ' ' GLU . 28.8 tt0 -61.75 -45.16 95.12 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.036 177.506 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -77.11 -43.95 32.29 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.488 -178.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 6.8 tp -59.13 -41.81 89.13 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.141 -177.241 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -56.99 -49.9 74.34 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.785 176.087 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . 0.609 ' HG3' ' O ' ' B' ' 85' ' ' GLN . 51.7 mt-10 -58.03 -38.15 75.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.147 0.499 . . . . 0.0 111.206 -178.481 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -75.63 -39.86 57.16 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.471 -0.786 . . . . 0.0 112.058 -172.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -92.7 13.17 20.9 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 -173.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 92' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' B' ' 92' ' ' ARG . 18.4 mtm180 -68.69 -16.07 63.71 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 121.62 0.724 . . . . 0.0 109.472 174.22 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -69.97 -17.53 63.31 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.646 -1.161 . . . . 0.0 111.346 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 53.5 p -103.96 157.09 17.34 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 121.081 -0.248 . . . . 0.0 110.634 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -61.14 -30.99 70.72 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 -171.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -130.39 100.29 5.31 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.091 0.472 . . . . 0.0 109.951 176.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 97' ' ' VAL . . . . . 0.684 ' O ' HG12 ' B' ' 101' ' ' ILE . 9.7 p -65.77 -45.08 92.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.427 -175.371 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . 0.504 ' HB2' ' NH1' ' B' ' 111' ' ' ARG . 4.5 mp -69.33 -30.14 68.12 Favored 'General case' 0 CA--C 1.522 -0.131 0 CA-C-O 120.457 0.17 . . . . 0.0 111.248 -173.549 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 99' ' ' GLY . . . . . 0.514 ' O ' ' HG2' ' B' ' 103' ' ' LYS . . . -61.8 -43.22 99.52 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.459 -0.877 . . . . 0.0 111.113 175.689 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -73.29 -26.83 61.24 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.888 0.375 . . . . 0.0 110.004 178.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 101' ' ' ILE . . . . . 0.684 HG12 ' O ' ' B' ' 97' ' ' VAL . 37.4 mm -59.03 -62.1 1.16 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.26 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.578 175.524 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 56.3 mtt -56.52 -37.38 70.35 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.406 -174.459 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 103' ' ' LYS . . . . . 0.514 ' HG2' ' O ' ' B' ' 99' ' ' GLY . 75.2 mmtt -72.87 -36.83 67.47 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.213 -177.779 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -88.74 -27.6 21.07 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 -174.144 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 105' ' ' ILE . . . . . 0.508 HG22 ' O ' ' B' ' 101' ' ' ILE . 11.2 tp -91.68 157.33 2.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.617 0.722 . . . . 0.0 111.32 -176.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 106' ' ' THR . . . . . 0.415 ' N ' HG13 ' B' ' 105' ' ' ILE . 12.1 t -74.2 -33.23 63.34 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 114.984 -1.007 . . . . 0.0 112.218 -174.41 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -99.96 129.88 46.08 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 122.196 -0.315 . . . . 0.0 111.085 -177.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.11 101.12 7.72 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.173 0.511 . . . . 0.0 109.7 175.539 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 58.2 mtt180 -110.25 121.02 44.3 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.536 -177.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 1.2 m -60.01 157.29 13.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 123.668 0.605 . . . . 0.0 111.475 -175.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 111' ' ' ARG . . . . . 0.504 ' NH1' ' HB2' ' B' ' 98' ' ' LEU . 12.2 mmt180 -54.05 -46.97 72.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.542 -177.503 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.82 -24.37 67.72 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.481 -177.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 113' ' ' ARG . . . . . 0.45 ' HD3' HG12 ' B' ' 74' ' ' VAL . 39.8 mtt180 -75.96 -50.03 16.06 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 178.483 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 62.9 mt -60.28 -54.96 27.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.848 -178.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 115' ' ' VAL . . . . . 0.566 ' O ' HD23 ' B' ' 119' ' ' LEU . 19.0 m -64.39 -36.95 78.7 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.25 -174.253 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -67.55 -32.38 73.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.695 0.283 . . . . 0.0 110.695 179.437 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 23.9 tptp -79.99 -33.58 39.24 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.085 -179.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 1.7 mp -59.45 -48.44 81.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.048 0.452 . . . . 0.0 110.752 176.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 119' ' ' LEU . . . . . 0.566 HD23 ' O ' ' B' ' 115' ' ' VAL . 4.4 mm? -63.06 -33.11 74.73 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.601 178.327 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.14 -30.74 58.28 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.045 -177.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 98.5 mt -79.35 -24.33 42.79 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.317 0.579 . . . . 0.0 110.245 174.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 79.36 34.64 31.87 Favored Glycine 0 N--CA 1.442 -0.952 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 -174.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 66.6 mt -79.83 -26.91 40.31 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-O 121.52 0.676 . . . . 0.0 109.427 178.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 124' ' ' VAL . . . . . 0.543 HG21 ' CD2' ' B' ' 130' ' ' LEU . 30.4 m -140.42 162.31 24.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 114.476 -1.238 . . . . 0.0 109.582 176.734 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -95.98 -7.39 36.56 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.368 178.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -175.0 174.9 2.4 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.426 -174.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 127' ' ' ARG . . . . . 0.601 ' HA ' HD21 ' B' ' 130' ' ' LEU . 46.2 mtm180 -78.28 -26.41 47.07 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 -176.008 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 128' ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 -61.42 -27.86 68.85 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 120.888 0.375 . . . . 0.0 111.005 -176.051 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -68.5 -26.97 65.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.532 -175.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 130' ' ' LEU . . . . . 0.601 HD21 ' HA ' ' B' ' 127' ' ' ARG . 0.1 OUTLIER -100.16 16.29 24.64 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.493 -177.623 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 131' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 . . . . . 0 C--N 1.32 -0.703 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 174.151 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' TRP . . . . . 0.746 ' HZ2' ' NH1' ' B' ' 45' ' ' ARG . 96.4 m95 . . . . . 0 C--O 1.234 0.283 0 N-CA-C 113.196 0.813 . . . . 0.0 113.196 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' SER . . . . . 0.423 ' OG ' ' HB2' ' B' ' 13' ' ' GLU . 5.2 p -127.15 163.03 44.5 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 114.282 -1.326 . . . . 0.0 109.484 175.052 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -49.86 -55.11 4.44 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 122.898 2.398 . . . . 0.0 113.814 -175.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -62.62 -38.66 91.09 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.364 0.602 . . . . 0.0 110.057 -179.208 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.468 ' HG2' ' CZ3' ' B' ' 9' ' ' TRP . 35.0 tt0 -59.09 -44.41 91.92 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.035 -0.984 . . . . 0.0 111.614 -173.467 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -74.38 -25.39 59.46 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.764 0.316 . . . . 0.0 111.113 178.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.29 -39.66 74.75 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.376 0.608 . . . . 0.0 109.6 174.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.47 ' HA ' ' CB ' ' B' ' 19' ' ' GLU . 21.4 t-160 -66.97 -26.16 66.68 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.166 -0.924 . . . . 0.0 110.237 174.525 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.661 HD11 HG23 ' B' ' 50' ' ' ILE . 37.4 tp -65.4 -48.81 71.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.411 0.624 . . . . 0.0 109.334 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . 0.795 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 37.5 ptt180 -75.48 -30.58 59.95 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 115.657 -0.702 . . . . 0.0 109.408 176.248 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . 0.47 ' CB ' ' HA ' ' B' ' 16' ' ' HIS . 10.3 tp10 -51.69 -53.48 38.66 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.853 0.835 . . . . 0.0 110.26 179.189 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.39 -31.0 69.1 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.825 -1.079 . . . . 0.0 111.342 -177.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 57.1 t80 -67.8 -49.69 60.94 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.173 179.052 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.795 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 53.3 mt -57.98 -25.16 60.67 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.386 -0.824 . . . . 0.0 111.183 -178.683 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.99 -52.39 7.89 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.973 0.416 . . . . 0.0 111.815 178.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -90.64 -4.19 56.98 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 113.01 0.745 . . . . 0.0 113.01 -169.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -62.91 -24.14 67.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.132 0.491 . . . . 0.0 110.65 178.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -75.03 -22.61 58.34 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.031 -177.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 17.5 t -78.98 107.39 11.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.22 -0.445 . . . . 0.0 109.866 -177.172 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -87.11 139.83 30.17 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.367 -177.179 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.29 -0.0 80.64 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.841 -0.695 . . . . 0.0 111.556 -178.263 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . 0.417 ' NE2' ' HB2' ' B' ' 35' ' ' ALA . 23.0 tt0 -108.31 145.36 34.54 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.139 0.495 . . . . 0.0 111.121 178.588 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -69.14 102.79 1.74 Allowed 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 167.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . 0.458 HG12 ' O ' ' B' ' 66' ' ' PHE . 7.9 p -70.47 -26.55 29.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.515 -176.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . 0.732 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 0.3 OUTLIER -63.7 -51.83 65.08 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.536 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 -179.402 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.645 ' HA ' HD11 ' B' ' 37' ' ' LEU . 37.6 mt-10 -60.1 -33.65 72.4 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.885 178.056 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . 0.417 ' HB2' ' NE2' ' B' ' 30' ' ' GLN . . . -57.32 -45.85 83.82 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.425 0.631 . . . . 0.0 109.815 174.345 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.565 ' O ' ' HG ' ' B' ' 40' ' ' LEU . 35.6 mt -70.6 -64.16 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.216 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.732 ' HG ' ' O ' ' B' ' 33' ' ' VAL . 2.3 pp -65.39 -23.92 67.09 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 -169.601 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . 0.541 ' N ' HD12 ' B' ' 37' ' ' LEU . . . -89.17 -33.17 17.13 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -178.285 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 37.8 m-70 -75.77 -29.68 58.87 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.44 -0.504 . . . . 0.0 110.942 -177.17 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.586 HD12 ' O ' ' B' ' 40' ' ' LEU . 2.0 pp -97.2 127.36 43.09 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 120.289 -0.564 . . . . 0.0 110.463 172.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' ASN . . . . . 0.619 HD22 ' H ' ' B' ' 41' ' ' ASN . 0.1 OUTLIER -109.54 37.03 2.74 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.833 0.825 . . . . 0.0 109.36 177.31 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 9.0 t -88.56 -33.72 17.62 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.963 -1.017 . . . . 0.0 110.827 -176.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . 0.451 ' HA ' ' HD3' ' B' ' 44' ' ' PRO . 14.5 p -143.36 134.29 12.48 Favored Pre-proline 0 N--CA 1.451 -0.395 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.915 -176.687 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' B' ' 43' ' ' VAL . 3.0 Cg_exo -75.94 121.51 6.26 Favored 'Trans proline' 0 CA--C 1.53 0.298 0 C-N-CA 122.716 2.277 . . . . 0.0 110.991 171.682 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . 0.845 ' CZ ' ' HB3' ' B' ' 49' ' ' GLN . 17.5 mmm-85 -134.13 177.69 7.55 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-O 121.843 0.83 . . . . 0.0 111.664 -177.527 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . 0.404 ' OG1' ' HG2' ' B' ' 49' ' ' GLN . 5.9 p -103.77 159.19 15.84 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 113.66 -1.609 . . . . 0.0 107.74 168.588 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . 0.438 ' O ' HG13 ' B' ' 51' ' ' ILE . 7.6 mpt_? -55.36 -41.84 73.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.38 0.609 . . . . 0.0 109.458 176.127 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -56.98 -50.58 72.26 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.78 -1.1 . . . . 0.0 111.287 177.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.845 ' HB3' ' CZ ' ' B' ' 45' ' ' ARG . 13.2 mm-40 -57.03 -40.26 76.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.54 -0.755 . . . . 0.0 112.82 -176.406 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.719 HG13 HD23 ' B' ' 37' ' ' LEU . 11.4 mm -66.69 -52.05 49.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.245 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.55 HG12 ' CD2' ' B' ' 66' ' ' PHE . 67.5 mt -57.03 -41.97 78.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.116 -0.947 . . . . 0.0 109.48 -178.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -56.41 -54.86 40.61 Favored 'General case' 0 C--O 1.218 -0.568 0 CA-C-N 114.916 -1.038 . . . . 0.0 112.707 -176.554 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' HIS . . . . . 0.437 ' O ' ' HB2' ' B' ' 57' ' ' MET . 31.3 m-70 -58.65 -31.55 68.26 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 118.432 0.56 . . . . 0.0 111.824 -179.386 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . 0.438 ' HB3' HD11 ' B' ' 59' ' ' LEU . 40.5 mt -83.99 -46.5 11.99 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.565 -171.108 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . 0.446 HG22 ' O ' ' B' ' 51' ' ' ILE . 33.8 m -70.81 -24.65 25.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.222 0.534 . . . . 0.0 110.275 176.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -81.84 -18.55 43.52 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.069 177.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.437 ' HB2' ' O ' ' B' ' 53' ' ' HIS . 30.0 ttm -85.24 -2.58 58.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.049 0.452 . . . . 0.0 110.268 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 81.24 -2.65 80.83 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 121.049 -0.596 . . . . 0.0 112.79 176.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.438 HD11 ' HB3' ' B' ' 54' ' ' LEU . 4.1 pp -83.51 -17.55 41.52 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.282 0.563 . . . . 0.0 110.305 -179.664 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -133.02 155.91 48.33 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.241 -0.891 . . . . 0.0 109.457 174.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -85.62 -62.62 1.49 Allowed 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.341 -178.037 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 33.8 t -150.82 177.34 10.2 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.043 0.449 . . . . 0.0 111.314 -174.062 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 63' ' ' VAL . . . . . 0.495 HG22 HG21 ' B' ' 51' ' ' ILE . 89.7 t -55.76 -26.8 20.97 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.657 177.399 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 17.2 pttm -55.31 -37.38 67.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.759 178.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -80.6 -7.68 59.35 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.096 -0.956 . . . . 0.0 111.205 -176.384 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 66' ' ' PHE . . . . . 0.633 ' HD2' HG22 ' B' ' 33' ' ' VAL . 4.7 m-85 . . . . . 0 C--N 1.325 -0.49 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 -172.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 11.2 m . . . . . 0 N--CA 1.442 -0.846 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.11 95.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.339 0.59 . . . . 0.0 111.922 -175.271 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 76' ' ' TRP . . . . . 0.689 ' CE3' ' HG2' ' B' ' 80' ' ' GLN . 73.8 m95 -94.45 108.85 20.76 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.201 0.524 . . . . 0.0 110.366 179.772 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 46.8 p -103.34 176.03 5.28 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.432 174.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -60.03 -40.35 96.92 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.254 -0.974 . . . . 0.0 110.813 172.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -58.84 -59.37 5.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.066 -0.567 . . . . 0.0 110.916 176.45 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 80' ' ' GLN . . . . . 0.689 ' HG2' ' CE3' ' B' ' 76' ' ' TRP . 34.4 tt0 -57.77 -43.01 85.21 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.608 -175.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -67.61 -43.24 80.92 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.777 -177.132 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 21.3 tp -68.35 -38.07 81.1 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.912 177.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -61.73 -46.37 89.94 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.377 -177.093 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . 0.577 HD12 ' NH1' ' B' ' 109' ' ' ARG . 10.3 tt -67.29 -35.98 80.58 Favored 'General case' 0 C--O 1.224 -0.279 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 177.321 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . 0.44 ' HG2' HD21 ' B' ' 123' ' ' LEU . 1.0 OUTLIER -55.39 -52.42 63.61 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 123.343 0.402 . . . . 0.0 110.201 178.46 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 71.7 mtm180 -66.84 -36.68 82.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.486 -179.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 20.4 tp -70.55 -44.86 66.58 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.749 -177.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.67 ' O ' ' HB2' ' B' ' 92' ' ' ARG . 8.1 t80 -45.92 -47.12 16.36 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.756 175.187 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -64.72 -44.38 90.38 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.45 0.643 . . . . 0.0 111.25 -179.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -72.68 -42.56 64.14 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.135 -0.939 . . . . 0.0 112.297 -169.083 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -98.44 17.63 18.47 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.842 0.353 . . . . 0.0 111.306 -179.089 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 92' ' ' ARG . . . . . 0.67 ' HB2' ' O ' ' B' ' 88' ' ' PHE . 46.7 ttt180 -75.31 -11.69 60.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.652 -179.17 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -73.65 6.3 3.24 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.785 0.802 . . . . 0.0 110.519 177.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 4.8 m -103.07 160.97 14.16 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 178.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -65.85 -48.44 71.62 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.183 0.516 . . . . 0.0 109.833 -179.027 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -105.06 99.57 9.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.432 170.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 97' ' ' VAL . . . . . 0.484 ' O ' HG13 ' B' ' 101' ' ' ILE . 10.2 p -64.67 -39.69 86.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 C-N-CA 120.333 -0.547 . . . . 0.0 110.076 178.714 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . 0.762 ' O ' ' HG3' ' B' ' 102' ' ' MET . 3.2 mp -58.87 -41.14 86.36 Favored 'General case' 0 C--O 1.22 -0.462 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.279 179.709 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -53.37 -44.63 66.05 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 121.211 -0.519 . . . . 0.0 113.093 -178.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 64.8 m-70 -81.17 -25.0 37.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.859 0.362 . . . . 0.0 110.46 -179.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 101' ' ' ILE . . . . . 0.484 HG13 ' O ' ' B' ' 97' ' ' VAL . 57.2 mt -61.28 -56.82 15.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.979 172.001 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 102' ' ' MET . . . . . 0.762 ' HG3' ' O ' ' B' ' 98' ' ' LEU . 18.6 mtp -64.37 -27.67 69.17 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.167 0.508 . . . . 0.0 110.309 -175.156 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -75.38 -44.3 45.57 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.502 -176.342 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -105.07 0.47 27.57 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -169.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 105' ' ' ILE . . . . . 0.441 HG13 ' N ' ' B' ' 106' ' ' THR . 11.1 tp -91.48 158.83 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.265 0.555 . . . . 0.0 110.89 -177.738 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 106' ' ' THR . . . . . 0.441 ' N ' HG13 ' B' ' 105' ' ' ILE . 6.5 t -71.45 -36.74 71.33 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.243 -0.89 . . . . 0.0 111.822 -176.119 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 107' ' ' ALA . . . . . 0.622 ' HB3' ' NH2' ' B' ' 109' ' ' ARG . . . -98.52 127.56 44.5 Favored 'General case' 0 CA--C 1.509 -0.596 0 CA-C-O 120.811 0.338 . . . . 0.0 110.445 -178.555 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 10.6 mmmm -90.01 107.63 19.24 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 -178.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 109' ' ' ARG . . . . . 0.622 ' NH2' ' HB3' ' B' ' 107' ' ' ALA . 10.2 ptp85 -132.6 169.17 17.01 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.958 -173.46 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 110' ' ' SER . . . . . 0.426 ' O ' HG13 ' B' ' 114' ' ' ILE . 2.0 m -94.06 161.56 14.23 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.612 0.244 . . . . 0.0 111.096 -176.514 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 89.9 mtt180 -68.57 -43.78 75.84 Favored 'General case' 0 CA--C 1.513 -0.476 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -175.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -56.51 -30.34 62.9 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.649 0.738 . . . . 0.0 110.361 -179.433 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.68 -34.72 40.04 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.043 179.633 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 114' ' ' ILE . . . . . 0.55 HG23 HD11 ' B' ' 84' ' ' LEU . 98.8 mt -71.79 -43.62 69.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.566 178.398 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 115' ' ' VAL . . . . . 0.457 ' O ' HD23 ' B' ' 119' ' ' LEU . 25.5 t -52.9 -54.61 15.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.038 -0.983 . . . . 0.0 111.544 -179.641 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -58.95 -35.84 73.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.108 0.48 . . . . 0.0 110.63 178.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . 0.521 ' O ' HD13 ' B' ' 121' ' ' LEU . 14.8 tppt? -63.63 -36.33 83.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.926 -179.736 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 21.1 mt -64.63 -45.52 86.48 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 121.095 0.474 . . . . 0.0 110.424 176.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 119' ' ' LEU . . . . . 0.457 HD23 ' O ' ' B' ' 115' ' ' VAL . 4.4 mm? -62.87 -31.37 72.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.592 -179.137 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -74.2 -39.56 63.08 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.274 -0.875 . . . . 0.0 111.061 -178.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 121' ' ' LEU . . . . . 0.521 HD13 ' O ' ' B' ' 117' ' ' LYS . 9.8 mp -75.33 -25.83 58.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.108 0.48 . . . . 0.0 110.91 175.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 80.98 31.62 34.69 Favored Glycine 0 N--CA 1.444 -0.823 0 C-N-CA 120.728 -0.749 . . . . 0.0 111.455 -172.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . 0.441 ' HB3' ' CE1' ' B' ' 88' ' ' PHE . 69.3 mt -76.04 -24.21 55.17 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-O 121.849 0.833 . . . . 0.0 109.065 176.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 124' ' ' VAL . . . . . 0.544 HG21 HD21 ' B' ' 130' ' ' LEU . 34.1 m -137.63 174.84 10.5 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 114.219 -1.355 . . . . 0.0 109.397 175.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -114.31 -7.43 12.94 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.157 0.503 . . . . 0.0 110.632 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 126' ' ' GLU . . . . . 0.425 ' O ' HD21 ' B' ' 130' ' ' LEU . 13.8 pt-20 -171.15 174.53 4.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.376 -175.264 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 127' ' ' ARG . . . . . 0.68 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 12.0 mpt_? -77.84 -21.08 51.99 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.796 0.332 . . . . 0.0 111.522 -179.615 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 128' ' ' ARG . . . . . . . . . . . . . 6.0 ttm180 -58.48 -34.62 71.09 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.288 0.566 . . . . 0.0 111.053 -179.425 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -84.93 -5.79 59.34 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.393 -0.821 . . . . 0.0 112.632 -170.195 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 130' ' ' LEU . . . . . 0.68 ' HG ' ' O ' ' B' ' 127' ' ' ARG . 0.3 OUTLIER -82.81 -12.86 57.13 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.576 0.703 . . . . 0.0 109.585 -176.423 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 131' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 . . . . . 0 C--N 1.318 -0.804 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 -179.147 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' TRP . . . . . 0.452 ' CE3' ' HG2' ' B' ' 13' ' ' GLU . 90.6 m95 . . . . . 0 CA--C 1.518 -0.255 0 CA-C-O 121.239 0.542 . . . . 0.0 111.532 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 6.9 m -95.78 162.26 24.78 Favored Pre-proline 0 C--N 1.318 -0.778 0 CA-C-N 115.213 -0.903 . . . . 0.0 109.924 -177.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -44.21 -55.72 2.98 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 123.263 2.642 . . . . 0.0 114.024 -176.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -69.91 -29.27 66.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.088 0.471 . . . . 0.0 110.673 -177.159 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.452 ' HG2' ' CE3' ' B' ' 9' ' ' TRP . 15.2 tt0 -71.48 -42.53 67.97 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.341 -176.403 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . 0.421 ' CG ' ' HB3' ' B' ' 9' ' ' TRP . 45.7 mt-10 -66.46 -36.18 82.13 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.416 175.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . 0.519 ' O ' ' HG2' ' B' ' 18' ' ' ARG . . . -69.21 -42.83 75.21 Favored 'General case' 0 C--O 1.218 -0.554 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.527 178.31 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.421 ' HA ' ' HB3' ' B' ' 19' ' ' GLU . 13.5 t-160 -60.66 -29.51 69.33 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.385 175.459 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.553 HD11 HG23 ' B' ' 50' ' ' ILE . 20.0 tp -63.24 -50.67 69.3 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.183 177.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . 0.713 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 33.5 ptt180 -70.46 -35.45 73.33 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 175.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . 0.421 ' HB3' ' HA ' ' B' ' 16' ' ' HIS . 17.5 tp10 -48.65 -51.9 25.94 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.595 0.712 . . . . 0.0 110.731 -178.728 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.451 HD11 ' CB ' ' B' ' 39' ' ' HIS . 0.3 OUTLIER -69.07 -36.14 77.3 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.618 -1.174 . . . . 0.0 111.579 -177.58 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -68.21 -52.2 36.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.135 0.493 . . . . 0.0 110.095 -179.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.713 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 45.6 mt -59.02 -24.71 63.05 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.319 -176.037 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -84.05 -57.04 3.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.732 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' ASN . . . . . 0.446 ' ND2' HD23 ' B' ' 20' ' ' LEU . 35.3 m-80 -88.58 7.04 35.25 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -170.588 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -69.53 -18.94 63.71 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 111.75 0.278 . . . . 0.0 111.75 -178.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -95.37 4.77 53.04 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.736 0.303 . . . . 0.0 111.339 -175.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 37.7 t -88.26 119.12 35.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 179.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -92.92 138.08 31.8 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.894 -173.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.02 9.04 83.13 Favored Glycine 0 CA--C 1.509 -0.296 0 N-CA-C 111.355 -0.698 . . . . 0.0 111.355 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -118.8 149.73 41.0 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.21 -0.495 . . . . 0.0 110.341 -176.524 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -82.24 104.0 12.24 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 172.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . 0.542 ' O ' HG13 ' B' ' 36' ' ' ILE . 9.8 p -61.56 -32.19 52.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 178.514 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . 0.754 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 2.0 t -58.85 -57.25 12.06 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 CA-C-N 115.114 -0.948 . . . . 0.0 110.126 176.77 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.436 ' HA ' HD12 ' B' ' 37' ' ' LEU . 4.2 tm-20 -54.19 -40.28 67.43 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.769 -178.556 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.27 -50.43 73.63 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.28 178.267 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.542 HG13 ' O ' ' B' ' 32' ' ' VAL . 45.2 mt -65.8 -55.81 17.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.089 -178.774 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.754 ' HG ' ' O ' ' B' ' 33' ' ' VAL . 10.5 mt -49.59 -42.34 44.31 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 123.68 0.612 . . . . 0.0 111.326 -175.537 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.91 -35.49 16.47 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 -170.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' HIS . . . . . 0.451 ' CB ' HD11 ' B' ' 20' ' ' LEU . 36.0 m-70 -78.12 -10.55 59.68 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.445 -0.502 . . . . 0.0 111.999 -173.177 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' B' ' 36' ' ' ILE . 0.7 OUTLIER -114.89 80.76 1.46 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.887 0.851 . . . . 0.0 110.967 170.548 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -82.33 39.4 0.59 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.785 0.802 . . . . 0.0 110.252 179.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . 0.402 ' H ' ' C ' ' B' ' 40' ' ' LEU . 6.1 t -94.73 -10.87 30.31 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 114.821 -1.082 . . . . 0.0 109.143 176.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 12.7 m -136.43 125.09 15.3 Favored Pre-proline 0 N--CA 1.452 -0.332 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.27 -178.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -76.66 89.13 1.31 Allowed 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 122.347 2.032 . . . . 0.0 110.374 169.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 14.7 mtt85 -136.27 170.17 16.46 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.093 0.473 . . . . 0.0 111.812 -173.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 14.5 t -109.0 -173.36 2.25 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.162 -178.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . 0.404 ' HD2' HD13 ' B' ' 37' ' ' LEU . 17.7 mmt180 -61.9 -49.76 74.91 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.879 -174.197 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt -54.97 -38.87 68.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.036 -0.984 . . . . 0.0 112.064 -175.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.74 -62.35 1.8 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.894 -175.711 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.553 HG23 HD11 ' B' ' 17' ' ' LEU . 1.9 mp -59.8 -47.91 89.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.09 -176.309 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 94.6 mt -53.6 -51.91 38.44 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.401 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.477 -178.17 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -57.08 -44.04 82.73 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.915 -174.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' HIS . . . . . 0.576 ' O ' ' HB2' ' B' ' 57' ' ' MET . 40.9 m-70 -71.51 -22.82 61.73 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.994 -176.532 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . 0.504 HD22 HD11 ' B' ' 59' ' ' LEU . 77.7 mt -74.64 -48.52 25.84 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.179 0.514 . . . . 0.0 110.053 179.394 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 9.0 m -73.78 -26.06 21.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.221 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -79.76 -25.24 41.07 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.031 178.001 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.576 ' HB2' ' O ' ' B' ' 53' ' ' HIS . 27.9 ttm -79.59 -9.03 59.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.214 0.531 . . . . 0.0 110.405 -178.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 86.41 -0.34 86.99 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.715 177.015 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.504 HD11 HD22 ' B' ' 54' ' ' LEU . 4.5 pp -87.12 -19.88 27.88 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.297 0.57 . . . . 0.0 110.095 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -121.41 169.89 10.18 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.329 -0.85 . . . . 0.0 109.536 174.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -88.41 -66.2 0.94 Allowed 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.637 -0.425 . . . . 0.0 111.415 -177.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 10.7 t -160.56 174.2 14.39 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.174 0.512 . . . . 0.0 111.576 -174.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 79.4 t -62.52 -25.07 37.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.247 179.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -60.74 -25.69 66.64 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.786 -178.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -89.16 -8.19 54.16 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.786 -178.017 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.061 -176.048 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . 0.423 HG13 ' NE1' ' B' ' 76' ' ' TRP . 0.9 OUTLIER . . . . . 0 N--CA 1.446 -0.632 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.468 ' O ' HD12 ' B' ' 75' ' ' LEU . 0.4 OUTLIER -48.89 98.05 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.518 0.675 . . . . 0.0 112.805 -177.016 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 76' ' ' TRP . . . . . 0.423 ' NE1' HG13 ' B' ' 74' ' ' VAL . 87.1 m95 -102.2 109.71 21.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.411 176.723 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 77' ' ' THR . . . . . 0.415 ' OG1' ' HB2' ' B' ' 80' ' ' GLN . 60.8 p -109.97 -178.26 3.48 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.676 179.609 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -59.79 -40.05 96.16 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.043 177.214 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -80.88 -42.01 22.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.963 -0.118 . . . . 0.0 111.061 179.599 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 80' ' ' GLN . . . . . 0.415 ' HB2' ' OG1' ' B' ' 77' ' ' THR . 0.0 OUTLIER -59.59 -32.6 70.53 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.003 0.43 . . . . 0.0 109.874 179.422 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -64.98 -51.71 60.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.458 176.157 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 30.0 tp -60.73 -40.85 93.89 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.99 -178.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . 0.528 ' O ' ' HB2' ' B' ' 87' ' ' LEU . 5.6 mm-40 -59.07 -30.32 67.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.865 179.5 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . 0.452 HD23 ' NH1' ' B' ' 109' ' ' ARG . 3.0 tm? -73.67 -45.96 49.37 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.188 175.38 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -58.2 -55.91 28.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.249 -176.422 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 86' ' ' ARG . . . . . 0.485 ' O ' ' HB2' ' B' ' 90' ' ' GLU . 40.9 mtp180 -57.1 -48.08 79.48 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.362 0.601 . . . . 0.0 110.168 -178.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 87' ' ' LEU . . . . . 0.544 ' CD2' HG12 ' B' ' 101' ' ' ILE . 17.9 tp -51.68 -54.12 31.56 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.49 -1.232 . . . . 0.0 110.565 177.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.621 ' HA ' HG23 ' B' ' 97' ' ' VAL . 58.1 t80 -57.95 -67.31 0.35 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.164 -0.926 . . . . 0.0 112.818 179.671 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -61.14 -36.1 78.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.052 0.453 . . . . 0.0 112.207 -169.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . 0.485 ' HB2' ' O ' ' B' ' 86' ' ' ARG . 4.2 mm-40 -80.38 -19.9 45.28 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 -172.019 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -121.25 6.8 10.19 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -178.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 92' ' ' ARG . . . . . 0.601 ' HA ' ' CG1' ' B' ' 97' ' ' VAL . 5.0 ptm180 -76.03 -11.92 60.03 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -172.762 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -70.72 -27.09 63.71 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 121.413 0.625 . . . . 0.0 110.294 178.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 26.3 t -106.97 178.55 4.53 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.163 178.28 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -63.27 -23.7 67.54 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.586 0.708 . . . . 0.0 110.031 175.239 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 96' ' ' ASP . . . . . 0.644 ' HB3' ' CG ' ' B' ' 100' ' ' HIS . 3.1 m-20 -89.4 43.82 1.17 Allowed 'General case' 0 N--CA 1.442 -0.872 0 CA-C-N 115.43 -0.805 . . . . 0.0 112.592 -167.509 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 97' ' ' VAL . . . . . 0.734 ' O ' HG13 ' B' ' 101' ' ' ILE . 0.6 OUTLIER -88.54 -65.55 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 C-N-CA 119.453 -0.899 . . . . 0.0 109.884 157.414 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 5.0 tp -72.88 -48.98 32.73 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 114.733 -1.121 . . . . 0.0 110.701 -167.553 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 99' ' ' GLY . . . . . 0.61 ' O ' ' HE3' ' B' ' 103' ' ' LYS . . . -59.95 -43.03 98.5 Favored Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.818 -0.706 . . . . 0.0 111.953 175.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 100' ' ' HIS . . . . . 0.644 ' CG ' ' HB3' ' B' ' 96' ' ' ASP . 2.2 m170 -70.38 -17.6 63.04 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 122.704 -0.292 . . . . 0.0 111.455 -177.722 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 101' ' ' ILE . . . . . 0.776 ' O ' HG22 ' B' ' 105' ' ' ILE . 65.1 mt -61.51 -65.31 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.817 0.818 . . . . 0.0 108.853 170.013 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.31 -14.36 62.84 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 114.737 -1.12 . . . . 0.0 111.74 -174.062 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 103' ' ' LYS . . . . . 0.61 ' HE3' ' O ' ' B' ' 99' ' ' GLY . 0.0 OUTLIER -94.07 -51.36 4.88 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.627 175.059 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -113.6 -4.66 13.45 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 114.653 1.353 . . . . 0.0 114.653 -163.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 105' ' ' ILE . . . . . 0.776 HG22 ' O ' ' B' ' 101' ' ' ILE . 10.5 tp -91.53 157.34 2.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 C-N-CA 118.901 -1.119 . . . . 0.0 110.039 177.1 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 12.3 t -55.76 -29.65 59.94 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.238 -0.892 . . . . 0.0 112.149 -177.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -106.92 127.88 53.82 Favored 'General case' 0 CA--C 1.514 -0.422 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.852 -176.094 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 108' ' ' LYS . . . . . 0.417 ' HD2' ' N ' ' B' ' 108' ' ' LYS . 0.0 OUTLIER -86.22 100.9 12.57 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.641 0.734 . . . . 0.0 109.631 177.447 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 109' ' ' ARG . . . . . 0.452 ' NH1' HD23 ' B' ' 84' ' ' LEU . 43.4 mtt180 -111.07 155.44 22.79 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 114.829 -1.078 . . . . 0.0 109.559 -176.058 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 110' ' ' SER . . . . . 0.518 ' O ' ' HG2' ' B' ' 113' ' ' ARG . 19.8 m -96.82 164.42 12.57 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 177.534 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 111' ' ' ARG . . . . . 0.459 ' O ' HG23 ' B' ' 115' ' ' VAL . 12.8 mmt85 -56.51 -53.06 61.93 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 -172.036 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -55.64 -42.67 75.33 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.662 0.615 . . . . 0.0 112.662 -173.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 113' ' ' ARG . . . . . 0.518 ' HG2' ' O ' ' B' ' 110' ' ' SER . 9.3 ptp180 -74.35 -27.32 60.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.824 0.345 . . . . 0.0 110.864 -175.132 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 91.4 mt -74.09 -48.06 39.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.5 0.666 . . . . 0.0 109.552 176.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 115' ' ' VAL . . . . . 0.544 ' O ' HD23 ' B' ' 119' ' ' LEU . 79.0 t -57.58 -49.5 80.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 114.662 -1.154 . . . . 0.0 110.863 179.213 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -57.34 -33.24 67.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.056 179.172 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . 0.414 ' O ' HD13 ' B' ' 121' ' ' LEU . 1.0 OUTLIER -73.93 -36.5 64.69 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.879 -177.444 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . 0.451 ' CD2' HD11 ' B' ' 84' ' ' LEU . 25.7 mt -62.13 -42.08 98.89 Favored 'General case' 0 CA--C 1.512 -0.481 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.288 176.68 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 119' ' ' LEU . . . . . 0.544 HD23 ' O ' ' B' ' 115' ' ' VAL . 4.5 mm? -66.54 -23.95 66.3 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.402 -179.695 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -83.81 -44.79 13.99 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.603 -178.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 121' ' ' LEU . . . . . 0.414 HD13 ' O ' ' B' ' 117' ' ' LYS . 10.2 mp -69.58 -24.54 63.7 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-O 121.378 0.609 . . . . 0.0 110.171 173.596 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 74.44 35.34 52.33 Favored Glycine 0 N--CA 1.439 -1.104 0 CA-C-N 115.125 -0.943 . . . . 0.0 111.603 -174.324 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . 0.604 ' HB3' ' CE2' ' B' ' 88' ' ' PHE . 57.8 mt -77.03 -23.33 52.13 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 121.794 0.807 . . . . 0.0 108.865 176.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 124' ' ' VAL . . . . . 0.496 HG21 ' CD2' ' B' ' 130' ' ' LEU . 35.5 m -136.83 166.02 26.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 114.389 -1.278 . . . . 0.0 109.276 173.341 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -108.44 -7.18 15.87 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-O 121.378 0.609 . . . . 0.0 109.75 177.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -166.03 175.68 8.33 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.645 -175.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 127' ' ' ARG . . . . . 0.64 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 0.2 OUTLIER -78.87 -25.68 43.96 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -176.289 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 128' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -53.05 -37.11 61.31 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -71.78 -12.72 61.44 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -172.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 130' ' ' LEU . . . . . 0.64 ' HG ' ' O ' ' B' ' 127' ' ' ARG . 0.1 OUTLIER -111.21 16.07 21.18 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.783 0.325 . . . . 0.0 111.332 -177.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 131' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 . . . . . 0 C--N 1.323 -0.547 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 177.893 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' TRP . . . . . 0.424 ' HE1' ' NE ' ' B' ' 45' ' ' ARG . 81.4 m95 . . . . . 0 N--CA 1.454 -0.241 0 CA-C-O 121.28 0.562 . . . . 0.0 111.256 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 21.1 p -123.34 154.71 65.75 Favored Pre-proline 0 C--N 1.318 -0.781 0 CA-C-N 115.245 -0.888 . . . . 0.0 108.828 175.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_exo -46.77 -34.87 16.59 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.935 2.423 . . . . 0.0 113.029 179.009 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -63.37 -55.11 27.1 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.049 0.452 . . . . 0.0 110.786 175.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.4 ' CD ' HG21 ' B' ' 42' ' ' THR . 4.7 tp10 -68.77 -31.05 69.8 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.628 -174.285 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -71.61 -34.18 69.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.849 0.357 . . . . 0.0 110.58 177.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.23 -32.07 71.05 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.49 0.662 . . . . 0.0 109.927 174.044 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.532 ' HA ' ' HB3' ' B' ' 19' ' ' GLU . 19.0 t-160 -72.63 -25.72 61.4 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.112 -0.949 . . . . 0.0 110.105 175.07 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.512 HD11 HG23 ' B' ' 50' ' ' ILE . 28.4 tp -68.63 -49.64 57.59 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.671 177.291 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . 0.753 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 13.3 ptm180 -68.32 -32.63 72.88 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 173.694 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . 0.532 ' HB3' ' HA ' ' B' ' 16' ' ' HIS . 14.3 tp10 -49.97 -47.32 52.75 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-O 121.433 0.635 . . . . 0.0 110.254 175.569 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.439 HD11 ' HB2' ' B' ' 39' ' ' HIS . 0.2 OUTLIER -65.05 -43.14 93.28 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.436 179.825 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 91.1 t80 -70.24 -46.86 63.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.753 -174.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.753 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 48.0 mt -64.06 -25.67 68.21 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.105 -176.51 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.48 -44.35 14.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.822 0.344 . . . . 0.0 111.538 178.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' ASN . . . . . 0.52 ' O ' HG12 ' B' ' 27' ' ' VAL . 35.4 m-80 -92.72 7.51 43.25 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -173.002 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 14.8 ptmm? -84.86 -12.82 52.71 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.442 0.639 . . . . 0.0 109.463 172.201 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -81.25 -20.46 40.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.641 -178.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . 0.52 HG12 ' O ' ' B' ' 24' ' ' ASN . 12.9 p -89.4 138.73 18.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.275 -176.333 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -114.5 140.53 48.66 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.77 179.339 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.41 6.71 65.96 Favored Glycine 0 N--CA 1.449 -0.479 0 N-CA-C 111.315 -0.714 . . . . 0.0 111.315 -177.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -127.21 148.75 50.19 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.249 0.547 . . . . 0.0 111.053 -178.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -68.94 112.15 5.42 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.324 172.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . 0.716 ' O ' HG13 ' B' ' 36' ' ' ILE . 8.4 p -69.91 -42.52 79.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 C-N-CA 119.725 -0.79 . . . . 0.0 109.429 174.791 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . 0.746 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 4.9 t -57.54 -59.84 2.82 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.695 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.567 -179.209 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.427 ' HA ' HD12 ' B' ' 37' ' ' LEU . 23.9 tt0 -67.88 -22.71 65.09 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.477 -174.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . 0.455 ' O ' ' HD2' ' B' ' 39' ' ' HIS . . . -62.3 -50.56 71.18 Favored 'General case' 0 CA--C 1.515 -0.4 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 172.39 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.716 HG13 ' O ' ' B' ' 32' ' ' VAL . 49.0 mt -60.9 -54.94 28.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 114.611 -1.177 . . . . 0.0 110.687 178.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.746 ' HG ' ' O ' ' B' ' 33' ' ' VAL . 7.2 mt -53.69 -29.98 41.44 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.033 -178.141 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.91 -41.98 12.1 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 -172.169 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' HIS . . . . . 0.455 ' HD2' ' O ' ' B' ' 35' ' ' ALA . 47.4 m-70 -74.47 -29.09 61.31 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-O 121.027 0.441 . . . . 0.0 110.348 -173.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 11.9 mt -79.75 81.89 5.94 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.474 178.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 46.2 m-80 -88.18 36.28 0.77 Allowed 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.679 0.752 . . . . 0.0 109.037 175.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . 0.4 HG21 ' CD ' ' B' ' 13' ' ' GLU . 5.5 t -109.05 -30.21 8.18 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.775 -1.102 . . . . 0.0 110.312 177.609 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . 0.424 ' HB ' ' HG3' ' B' ' 45' ' ' ARG . 3.1 m -124.13 104.18 32.55 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-N 116.175 -0.466 . . . . 0.0 112.006 -174.134 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -73.85 89.66 0.99 Allowed 'Trans proline' 0 N--CA 1.46 -0.461 0 C-N-CA 122.245 1.964 . . . . 0.0 111.06 172.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . 0.424 ' NE ' ' HE1' ' B' ' 9' ' ' TRP . 48.9 mtp85 -133.85 176.22 8.76 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 -177.616 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . 0.71 HG22 ' NE2' ' B' ' 49' ' ' GLN . 5.4 t -86.46 175.47 8.36 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.258 -0.577 . . . . 0.0 110.083 178.703 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . 0.551 ' HD2' HD13 ' B' ' 37' ' ' LEU . 15.0 mmt180 -65.6 -41.88 92.3 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.222 0.534 . . . . 0.0 110.276 -173.688 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.444 ' HG3' ' CD2' ' B' ' 52' ' ' HIS . 25.5 ttpt -58.1 -34.28 70.02 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.184 -0.916 . . . . 0.0 112.438 178.603 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.71 ' NE2' HG22 ' B' ' 46' ' ' THR . 1.0 OUTLIER -59.96 -48.3 82.26 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -173.391 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.512 HG23 HD11 ' B' ' 17' ' ' LEU . 1.7 mp -61.52 -49.31 84.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.085 0.469 . . . . 0.0 110.282 176.177 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 77.2 mt -52.89 -44.45 49.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.082 -0.963 . . . . 0.0 111.401 -177.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' HIS . . . . . 0.444 ' CD2' ' HG3' ' B' ' 48' ' ' LYS . 2.0 m-70 -62.24 -46.95 86.55 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.457 -0.792 . . . . 0.0 112.489 -174.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' HIS . . . . . 0.499 ' O ' ' HB2' ' B' ' 57' ' ' MET . 90.2 m-70 -66.9 -23.02 65.94 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.484 -0.486 . . . . 0.0 111.307 -177.551 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . 0.506 HD22 HD11 ' B' ' 59' ' ' LEU . 90.2 mt -76.17 -52.35 10.26 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.128 0.489 . . . . 0.0 110.688 -177.473 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . 0.494 ' HA ' ' HB3' ' B' ' 60' ' ' ALA . 4.1 m -73.01 -24.61 21.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.58 -178.424 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -81.09 -18.56 46.14 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.017 177.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.545 ' SD ' ' HD2' ' B' ' 18' ' ' ARG . 30.8 ttm -88.58 -2.75 58.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.157 0.503 . . . . 0.0 110.367 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 79.56 6.65 88.93 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.919 -0.657 . . . . 0.0 113.063 176.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.506 HD11 HD22 ' B' ' 54' ' ' LEU . 4.2 pp -92.36 -20.51 21.0 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.189 0.519 . . . . 0.0 110.09 178.43 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . 0.494 ' HB3' ' HA ' ' B' ' 55' ' ' VAL . . . -114.92 162.2 17.25 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.572 174.285 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -77.9 -64.64 1.11 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.613 -178.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 77.7 p -156.67 175.94 13.39 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-O 121.06 0.457 . . . . 0.0 111.458 -178.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 47.3 t -65.95 -30.39 49.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.623 178.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . 0.462 ' HB2' ' NZ ' ' B' ' 64' ' ' LYS . 7.2 mtmp? -56.34 -39.6 73.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.45 -176.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -63.57 -23.19 67.28 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.641 -176.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 66' ' ' PHE . . . . . 0.525 ' CD1' HG22 ' B' ' 33' ' ' VAL . 3.2 m-85 . . . . . 0 C--N 1.323 -0.578 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.747 177.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.449 -0.523 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -49.99 98.68 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.2 0.524 . . . . 0.0 111.295 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 76' ' ' TRP . . . . . . . . . . . . . 43.9 m95 -92.5 110.43 21.84 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.808 -178.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 76.6 p -93.22 167.0 12.04 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.523 174.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.54 -33.28 66.29 Favored Glycine 0 N--CA 1.454 -0.158 0 C-N-CA 120.78 -0.724 . . . . 0.0 111.829 179.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . 0.538 ' O ' ' HG3' ' B' ' 83' ' ' GLU . 14.5 m-20 -62.07 -52.99 61.67 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.797 0.332 . . . . 0.0 110.132 176.024 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -60.25 -41.44 93.21 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.376 -179.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 81' ' ' GLU . . . . . 0.48 ' O ' ' HB2' ' B' ' 85' ' ' GLN . 62.0 mt-10 -59.35 -46.48 88.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.305 -0.407 . . . . 0.0 109.943 178.681 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 6.8 tt -63.64 -35.25 79.9 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.093 178.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . 0.538 ' HG3' ' O ' ' B' ' 79' ' ' ASP . 59.4 mt-10 -56.12 -59.47 4.88 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-O 121.055 0.455 . . . . 0.0 111.274 178.684 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . 0.404 HD23 ' O ' ' B' ' 84' ' ' LEU . 6.3 tt -81.47 -26.52 35.17 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.709 -171.317 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . 0.48 ' HB2' ' O ' ' B' ' 81' ' ' GLU . 0.7 OUTLIER -53.45 -61.87 2.02 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.255 0.55 . . . . 0.0 109.763 176.848 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 31.7 mtp180 -65.71 -40.05 91.83 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.41 -0.813 . . . . 0.0 111.216 -178.57 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 11.0 tp -63.83 -40.34 96.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.737 -176.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.596 ' O ' ' HB2' ' B' ' 92' ' ' ARG . 0.8 OUTLIER -57.41 -42.54 82.5 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.048 177.62 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -70.07 -38.79 75.84 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.901 0.381 . . . . 0.0 110.796 178.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -59.05 -50.07 75.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.599 -176.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 91' ' ' PHE . . . . . 0.47 ' HB2' HG23 ' B' ' 97' ' ' VAL . 79.6 m-85 -100.4 13.54 34.15 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.79 0.328 . . . . 0.0 111.394 -177.035 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 92' ' ' ARG . . . . . 0.596 ' HB2' ' O ' ' B' ' 88' ' ' PHE . 54.0 ttt180 -68.1 -15.65 63.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.626 0.727 . . . . 0.0 110.648 178.344 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -85.43 6.25 27.5 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.214 -177.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 77.2 p -110.57 174.57 5.8 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.273 176.454 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -62.44 -48.01 81.53 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.996 0.427 . . . . 0.0 111.355 -178.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -126.33 100.87 6.47 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.911 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 97' ' ' VAL . . . . . 0.507 ' O ' HG13 ' B' ' 101' ' ' ILE . 3.9 p -71.4 -36.97 63.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.153 -178.364 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . 0.54 ' HB2' ' NH1' ' B' ' 111' ' ' ARG . 5.7 mp -67.67 -32.5 73.21 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 121.124 -0.231 . . . . 0.0 111.225 -175.149 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 99' ' ' GLY . . . . . 0.475 ' O ' ' HD3' ' B' ' 103' ' ' LYS . . . -62.37 -38.86 96.97 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.639 -0.791 . . . . 0.0 111.512 175.588 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 32.4 m170 -79.3 -28.72 42.24 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 101' ' ' ILE . . . . . 0.507 HG13 ' O ' ' B' ' 97' ' ' VAL . 44.0 mt -58.5 -56.68 14.89 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.403 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.283 172.774 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 102' ' ' MET . . . . . 0.458 ' HA ' HG22 ' B' ' 105' ' ' ILE . 45.7 mtt -55.05 -39.25 68.98 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.227 0.454 . . . . 0.0 112.227 -176.267 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 103' ' ' LYS . . . . . 0.475 ' HD3' ' O ' ' B' ' 99' ' ' GLY . 1.7 mptm? -74.11 -24.45 59.46 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 111.957 0.354 . . . . 0.0 111.957 -179.629 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 -106.67 -4.71 19.22 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -177.4 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 105' ' ' ILE . . . . . 0.458 HG22 ' HA ' ' B' ' 102' ' ' MET . 10.5 tp -97.81 148.78 5.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.432 0.634 . . . . 0.0 111.233 -177.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 3.7 t -66.78 -35.54 80.32 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 114.868 -1.06 . . . . 0.0 111.664 -176.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 107' ' ' ALA . . . . . 0.43 ' H ' HG13 ' B' ' 105' ' ' ILE . . . -112.87 129.4 56.47 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 116.668 -0.242 . . . . 0.0 110.69 -178.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.32 101.09 6.14 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 176.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 56.9 mtt180 -109.08 124.4 50.72 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.473 -175.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 110' ' ' SER . . . . . 0.597 ' O ' ' HG2' ' B' ' 113' ' ' ARG . 1.4 m -56.05 155.7 6.17 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 123.687 0.617 . . . . 0.0 111.536 -177.305 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 111' ' ' ARG . . . . . 0.54 ' NH1' ' HB2' ' B' ' 98' ' ' LEU . 11.9 mmt180 -56.13 -47.43 78.16 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.991 -175.687 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -61.15 -29.17 69.62 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 -175.107 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 113' ' ' ARG . . . . . 0.597 ' HG2' ' O ' ' B' ' 110' ' ' SER . 19.3 ptp180 -87.02 -29.0 22.29 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.198 -0.601 . . . . 0.0 111.03 -178.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 59.2 mt -69.17 -55.29 15.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.778 0.323 . . . . 0.0 110.75 173.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 115' ' ' VAL . . . . . 0.534 ' O ' HD23 ' B' ' 119' ' ' LEU . 32.6 m -59.96 -36.83 69.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.855 -173.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -73.24 -30.94 63.81 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.41 179.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 44.7 tptt -68.12 -37.2 80.86 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.235 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 7.3 mp -60.33 -43.12 96.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.364 176.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 119' ' ' LEU . . . . . 0.534 HD23 ' O ' ' B' ' 115' ' ' VAL . 4.4 mm? -67.26 -27.9 67.59 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.384 0.612 . . . . 0.0 110.403 179.197 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -74.69 -42.2 58.86 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.651 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 10.6 mp -68.86 -24.77 64.39 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.857 173.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 78.03 35.16 35.52 Favored Glycine 0 N--CA 1.443 -0.862 0 C-N-CA 120.457 -0.878 . . . . 0.0 110.965 -173.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 62.0 mt -79.24 -30.89 43.41 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-O 121.241 0.544 . . . . 0.0 109.99 179.374 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 124' ' ' VAL . . . . . 0.499 HG21 ' CD2' ' B' ' 130' ' ' LEU . 23.9 m -134.24 168.17 24.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.7 -178.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -81.95 -32.37 30.81 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.834 -1.075 . . . . 0.0 110.312 177.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 126' ' ' GLU . . . . . 0.432 ' HG3' ' HB3' ' B' ' 128' ' ' ARG . 7.8 pt-20 -169.47 177.98 4.41 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 114.457 -1.247 . . . . 0.0 108.768 -172.118 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 127' ' ' ARG . . . . . 0.599 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 12.2 mpt_? -65.63 -22.24 66.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.895 0.379 . . . . 0.0 111.043 -179.506 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 128' ' ' ARG . . . . . 0.432 ' HB3' ' HG3' ' B' ' 126' ' ' GLU . 8.7 ttm180 -59.0 -39.0 80.48 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.761 -179.131 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 129' ' ' GLU . . . . . 0.403 ' HB2' ' HB ' ' B' ' 124' ' ' VAL . 7.1 mm-40 -72.0 -8.93 57.37 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.982 -0.554 . . . . 0.0 112.401 -170.355 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 130' ' ' LEU . . . . . 0.599 ' HG ' ' O ' ' B' ' 127' ' ' ARG . 0.1 OUTLIER -107.67 12.23 27.72 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.715 0.293 . . . . 0.0 111.347 179.528 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 131' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 . . . . . 0 C--N 1.327 -0.382 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 175.57 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' TRP . . . . . 0.519 ' CH2' HG21 ' B' ' 43' ' ' VAL . 70.5 m95 . . . . . 0 N--CA 1.455 -0.18 0 CA-C-O 120.707 0.289 . . . . 0.0 110.763 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 36.6 p -79.42 158.54 73.79 Favored Pre-proline 0 C--N 1.322 -0.601 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 176.062 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_endo -51.18 -34.44 48.39 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.723 2.282 . . . . 0.0 112.133 177.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -74.91 -31.35 61.53 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.61 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.437 ' CD ' HG21 ' B' ' 42' ' ' THR . 6.5 tp10 -78.74 -35.99 43.89 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.366 -179.368 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -64.74 -37.65 88.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.938 0.399 . . . . 0.0 110.448 177.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.7 -32.02 72.38 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.085 0.469 . . . . 0.0 110.494 175.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.51 ' HA ' ' HB3' ' B' ' 19' ' ' GLU . 11.5 t-160 -74.7 -26.76 60.04 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.35 176.173 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.485 HD11 HG23 ' B' ' 50' ' ' ILE . 32.4 tp -67.59 -47.25 70.28 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 177.631 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . 0.763 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 30.7 ptt180 -73.26 -30.49 63.48 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 174.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . 0.51 ' HB3' ' HA ' ' B' ' 16' ' ' HIS . 10.3 tp10 -48.53 -51.87 25.39 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 121.665 0.745 . . . . 0.0 110.503 177.232 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.515 HD11 ' HB2' ' B' ' 39' ' ' HIS . 0.4 OUTLIER -73.69 -28.43 61.74 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.076 -0.966 . . . . 0.0 111.223 -177.047 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -70.55 -49.6 46.36 Favored 'General case' 0 CA--C 1.514 -0.43 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 178.048 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.763 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 39.3 mt -63.2 -20.34 65.33 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.623 -177.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.91 -43.29 22.46 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.837 179.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -109.25 3.18 21.43 Favored 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 -173.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 12.5 ptmm? -62.38 -35.92 80.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.691 0.281 . . . . 0.0 111.67 -177.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -94.6 10.69 33.8 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.179 -176.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 49.4 t -89.35 106.89 17.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 173.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -82.84 138.41 33.95 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.986 -173.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.64 -18.78 55.8 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.951 -0.642 . . . . 0.0 113.041 177.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -97.05 147.28 24.18 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.919 0.359 . . . . 0.0 110.822 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -63.28 100.15 0.23 Allowed 'General case' 0 CA--C 1.516 -0.327 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.443 168.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . 0.511 ' O ' HG13 ' B' ' 36' ' ' ILE . 10.3 p -59.89 -36.74 68.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 120.901 0.381 . . . . 0.0 110.212 178.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . 0.795 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 8.0 p -73.35 -38.55 53.87 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.868 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.201 -174.21 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.448 ' HA ' HD11 ' B' ' 37' ' ' LEU . 24.4 mt-10 -69.38 -24.74 63.91 Favored 'General case' 0 CA--C 1.514 -0.404 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.469 179.295 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.89 -44.8 91.94 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.621 0.724 . . . . 0.0 109.054 170.445 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.59 ' O ' ' HG ' ' B' ' 40' ' ' LEU . 44.8 mt -72.45 -64.45 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.587 -177.247 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.795 ' HG ' ' O ' ' B' ' 33' ' ' VAL . 2.4 pp -65.74 -20.07 66.13 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 -170.124 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . 0.465 ' N ' HD12 ' B' ' 37' ' ' LEU . . . -90.0 -31.1 17.36 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.58 -0.448 . . . . 0.0 112.007 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' HIS . . . . . 0.515 ' HB2' HD11 ' B' ' 20' ' ' LEU . 18.6 m-70 -80.79 -29.92 36.01 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.6 -0.44 . . . . 0.0 111.958 -175.031 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.59 ' HG ' ' O ' ' B' ' 36' ' ' ILE . 0.5 OUTLIER -89.6 86.49 6.74 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.743 0.782 . . . . 0.0 111.417 178.402 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -84.0 38.62 0.66 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.641 0.734 . . . . 0.0 110.188 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . 0.437 HG21 ' CD ' ' B' ' 13' ' ' GLU . 2.3 t -104.82 -13.0 16.01 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 114.934 -1.03 . . . . 0.0 109.383 179.354 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . 0.519 HG21 ' CH2' ' B' ' 9' ' ' TRP . 2.4 m -133.14 100.45 14.2 Favored Pre-proline 0 N--CA 1.453 -0.315 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.738 -179.334 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -73.24 88.73 0.96 Allowed 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 121.987 1.792 . . . . 0.0 110.214 169.382 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' B' ' 45' ' ' ARG . 24.0 mtp180 -138.04 170.89 15.25 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.193 -176.011 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . 0.532 HG22 ' HG2' ' B' ' 49' ' ' GLN . 5.8 t -74.59 155.78 37.48 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 176.694 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . 0.529 ' HD2' HD22 ' B' ' 37' ' ' LEU . 28.4 mmt180 -63.08 -31.99 73.25 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.015 0.436 . . . . 0.0 111.244 -172.329 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -56.41 -31.87 64.3 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.348 -0.842 . . . . 0.0 112.186 -179.576 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.532 ' HG2' HG22 ' B' ' 46' ' ' THR . 17.8 mm-40 -68.38 -40.0 81.55 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 111.898 0.332 . . . . 0.0 111.898 -172.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.485 HG23 HD11 ' B' ' 17' ' ' LEU . 2.0 mp -66.18 -47.73 83.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 177.711 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.511 HG12 HG21 ' B' ' 33' ' ' VAL . 87.4 mt -52.57 -50.58 39.67 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 CA-C-O 121.707 0.765 . . . . 0.0 110.51 177.116 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' HIS . . . . . 0.449 ' HB3' ' NE2' ' B' ' 56' ' ' GLN . 0.9 OUTLIER -60.21 -53.51 56.83 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.568 -1.196 . . . . 0.0 112.838 -172.896 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' HIS . . . . . 0.482 ' HB2' HD21 ' B' ' 17' ' ' LEU . 37.8 m-70 -59.97 -32.2 70.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.839 0.352 . . . . 0.0 111.78 -175.139 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . 0.527 HD22 HD11 ' B' ' 59' ' ' LEU . 80.1 mt -68.67 -45.82 70.72 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.208 -178.008 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . 0.417 HG11 ' C ' ' B' ' 62' ' ' SER . 5.4 m -75.93 -20.48 15.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.254 0.55 . . . . 0.0 109.813 178.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' GLN . . . . . 0.449 ' NE2' ' HB3' ' B' ' 52' ' ' HIS . 45.5 mt-30 -72.49 -35.35 68.15 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.915 175.723 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 66.6 mtm -82.51 6.28 17.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.451 179.633 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 69.63 4.18 44.84 Favored Glycine 0 C--N 1.33 0.2 0 C-N-CA 121.234 -0.507 . . . . 0.0 113.045 175.328 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.527 HD11 HD22 ' B' ' 54' ' ' LEU . 4.5 pp -82.6 -17.69 43.89 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.35 0.595 . . . . 0.0 109.61 -179.603 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . 0.408 ' HB3' HG12 ' B' ' 55' ' ' VAL . . . -115.61 170.2 8.62 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.379 174.781 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -75.7 -68.08 0.61 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.235 0.54 . . . . 0.0 110.449 179.093 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . 0.417 ' C ' HG11 ' B' ' 55' ' ' VAL . 72.3 p -165.34 176.27 8.46 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 115.216 -0.902 . . . . 0.0 109.918 -178.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 73.8 t -62.98 -27.41 43.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.254 0.55 . . . . 0.0 110.151 178.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 30.7 mtmm -68.6 -24.49 64.59 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.476 -176.071 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -74.68 -31.92 62.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.299 0.571 . . . . 0.0 109.963 179.098 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 . . . . . 0 CA--C 1.513 -0.466 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.442 176.09 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . 0.425 HG12 ' HD2' ' B' ' 113' ' ' ARG . 0.7 OUTLIER . . . . . 0 CA--C 1.509 -0.606 0 N-CA-C 108.407 -0.961 . . . . 0.0 108.407 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 20.8 tp -57.84 100.98 0.06 Allowed 'General case' 0 C--N 1.312 -1.048 0 CA-C-O 121.277 0.56 . . . . 0.0 111.071 -177.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 76' ' ' TRP . . . . . 0.599 ' CE2' ' HG3' ' B' ' 117' ' ' LYS . 92.5 m95 -100.75 110.09 22.16 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.416 178.483 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 76.0 p -103.91 178.87 4.43 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 173.181 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.3 -45.98 87.46 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.53 -0.843 . . . . 0.0 112.154 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -71.93 -40.62 68.62 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.862 0.363 . . . . 0.0 110.5 -179.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 80' ' ' GLN . . . . . 0.505 ' O ' ' HB3' ' B' ' 83' ' ' GLU . 0.0 OUTLIER -65.83 -37.3 85.85 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.254 -177.624 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 81' ' ' GLU . . . . . 0.461 ' HA ' ' CE3' ' B' ' 76' ' ' TRP . 36.1 tt0 -72.01 -35.62 69.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.99 0.424 . . . . 0.0 110.399 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 25.6 tp -61.59 -37.02 82.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.087 175.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . 0.505 ' HB3' ' O ' ' B' ' 80' ' ' GLN . 40.5 tt0 -53.29 -49.57 66.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.668 177.266 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . 0.417 ' HB2' ' CH2' ' B' ' 76' ' ' TRP . 53.5 tp -60.37 -48.53 81.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.484 178.011 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . 0.437 HE21 ' N ' ' B' ' 86' ' ' ARG . 0.0 OUTLIER -54.71 -48.3 72.66 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.976 -178.267 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 86' ' ' ARG . . . . . 0.437 ' N ' HE21 ' B' ' 85' ' ' GLN . 44.0 mtp180 -66.93 -49.49 65.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.154 -178.711 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 12.5 tp -63.75 -40.5 96.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.096 -175.275 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.61 ' CE2' HD21 ' B' ' 118' ' ' LEU . 53.5 t80 -51.14 -48.47 61.79 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 122.683 0.393 . . . . 0.0 111.79 174.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -68.74 -24.25 64.43 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.371 0.605 . . . . 0.0 111.241 -178.105 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -77.21 -37.81 52.66 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.036 -0.984 . . . . 0.0 111.928 -176.2 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -107.36 4.41 26.37 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -175.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 92' ' ' ARG . . . . . 0.426 ' HA ' ' HB ' ' B' ' 97' ' ' VAL . 16.5 ptm180 -73.79 -11.07 60.27 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.956 -0.297 . . . . 0.0 111.662 -176.452 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -74.39 -0.33 16.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.913 0.387 . . . . 0.0 110.99 176.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 9.4 t -105.32 175.05 5.62 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 177.094 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -76.93 -33.51 57.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.912 0.386 . . . . 0.0 111.179 -176.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -124.86 97.47 5.28 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 178.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 97' ' ' VAL . . . . . 0.602 ' O ' HG12 ' B' ' 101' ' ' ILE . 8.9 p -76.81 -36.88 27.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.071 -176.47 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . 0.57 ' O ' ' HG3' ' B' ' 102' ' ' MET . 1.0 OUTLIER -66.05 -42.0 90.07 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.107 -0.497 . . . . 0.0 112.113 -171.891 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -63.6 -31.73 81.78 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.556 -0.83 . . . . 0.0 112.137 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 13.1 m170 -75.23 -31.44 60.85 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 101' ' ' ILE . . . . . 0.665 ' O ' ' HB ' ' B' ' 105' ' ' ILE . 51.3 mm -59.61 -53.29 50.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.766 173.02 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 102' ' ' MET . . . . . 0.57 ' HG3' ' O ' ' B' ' 98' ' ' LEU . 27.5 mtp -67.09 -36.96 83.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.152 -173.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 5.3 tptm -80.08 -18.29 50.37 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.58 -172.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -117.85 10.88 13.35 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.838 0.351 . . . . 0.0 111.702 -177.275 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 105' ' ' ILE . . . . . 0.665 ' HB ' ' O ' ' B' ' 101' ' ' ILE . 10.7 tp -98.25 159.59 3.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.563 0.697 . . . . 0.0 111.964 -172.325 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 106' ' ' THR . . . . . 0.459 ' N ' HG13 ' B' ' 105' ' ' ILE . 3.7 t -79.58 -24.14 42.25 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.84 -1.073 . . . . 0.0 111.493 -179.307 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 107' ' ' ALA . . . . . 0.426 ' H ' HG13 ' B' ' 105' ' ' ILE . . . -102.2 169.96 8.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.257 -174.021 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 108' ' ' LYS . . . . . 0.466 ' HA ' ' HE2' ' B' ' 108' ' ' LYS . 6.2 mmpt? -92.48 102.86 15.32 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 171.67 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.84 122.6 46.83 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.615 -175.058 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 62.1 p -97.23 151.09 20.19 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 167.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -59.92 -33.97 72.59 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -171.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -54.38 -38.14 65.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.977 0.418 . . . . 0.0 111.239 177.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 113' ' ' ARG . . . . . 0.425 ' HD2' HG12 ' B' ' 74' ' ' VAL . 21.4 mtt180 -84.33 -29.36 26.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.142 0.496 . . . . 0.0 110.227 -176.248 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 114' ' ' ILE . . . . . 0.421 HD11 ' HG2' ' B' ' 102' ' ' MET . 85.6 mt -71.31 -47.74 58.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.63 -178.3 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 115' ' ' VAL . . . . . 0.476 ' O ' HD13 ' B' ' 119' ' ' LEU . 17.8 m -65.47 -36.84 78.63 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.542 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.331 -177.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -55.7 -45.63 77.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.897 0.38 . . . . 0.0 110.345 175.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . 0.599 ' HG3' ' CE2' ' B' ' 76' ' ' TRP . 37.7 mmtt -73.55 -37.16 65.67 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.66 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . 0.61 HD21 ' CE2' ' B' ' 88' ' ' PHE . 2.3 tp -62.18 -46.15 90.21 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.066 0.46 . . . . 0.0 110.854 -179.127 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 119' ' ' LEU . . . . . 0.476 HD13 ' O ' ' B' ' 115' ' ' VAL . 10.0 mp -71.8 -18.82 62.07 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.64 179.728 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -83.49 -35.34 24.95 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.298 -179.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 121' ' ' LEU . . . . . 0.535 HD13 ' O ' ' B' ' 117' ' ' LYS . 10.5 mp -69.77 -24.63 63.54 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.238 167.359 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 75.88 33.02 52.05 Favored Glycine 0 N--CA 1.444 -0.825 0 CA-C-N 114.76 -1.109 . . . . 0.0 111.899 -178.384 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . 0.532 HD13 ' CD1' ' B' ' 88' ' ' PHE . 90.0 mt -74.41 -25.16 59.29 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.934 0.873 . . . . 0.0 108.705 177.419 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 124' ' ' VAL . . . . . 0.512 HG21 ' CD2' ' B' ' 130' ' ' LEU . 24.0 m -141.88 163.23 19.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 113.964 -1.471 . . . . 0.0 109.367 175.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -102.65 -13.17 17.22 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.114 0.483 . . . . 0.0 110.51 177.08 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 126' ' ' GLU . . . . . 0.442 ' O ' HD21 ' B' ' 130' ' ' LEU . 15.3 pt-20 -153.44 172.21 17.46 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.263 -179.093 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 127' ' ' ARG . . . . . 0.751 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 0.6 OUTLIER -79.59 -21.76 44.59 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.074 0.464 . . . . 0.0 111.029 -177.802 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 128' ' ' ARG . . . . . 0.409 ' HB3' ' OE1' ' B' ' 126' ' ' GLU . 28.6 ttm180 -56.1 -38.0 70.15 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -176.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -74.05 -17.41 60.97 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 -173.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 130' ' ' LEU . . . . . 0.751 ' HG ' ' O ' ' B' ' 127' ' ' ARG . 0.1 OUTLIER -92.54 -8.85 43.27 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.141 0.496 . . . . 0.0 110.595 -178.549 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 131' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 . . . . . 0 C--N 1.326 -0.426 0 N-CA-C 107.667 -1.235 . . . . 0.0 107.667 173.731 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' TRP . . . . . 0.469 ' CH2' HG21 ' B' ' 43' ' ' VAL . 56.0 m95 . . . . . 0 CA--C 1.518 -0.251 0 CA-C-O 121.016 0.436 . . . . 0.0 111.588 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' SER . . . . . 0.524 ' OG ' ' HB2' ' B' ' 13' ' ' GLU . 15.8 p -75.15 159.93 81.42 Favored Pre-proline 0 C--N 1.318 -0.774 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.196 173.443 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -50.67 -43.97 43.05 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.532 2.155 . . . . 0.0 112.275 179.026 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -68.78 -27.59 66.02 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.707 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.524 ' HB2' ' OG ' ' B' ' 10' ' ' SER . 3.1 tt0 -74.09 -44.19 54.89 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.614 -175.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -68.73 -28.63 66.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.058 0.456 . . . . 0.0 109.924 175.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . 0.46 ' O ' ' HB2' ' B' ' 19' ' ' GLU . . . -64.78 -36.74 85.29 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.172 174.346 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.452 ' HA ' ' CB ' ' B' ' 19' ' ' GLU . 8.9 t-160 -76.3 -30.82 57.9 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.833 176.67 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.476 HD11 HG23 ' B' ' 50' ' ' ILE . 25.6 tp -63.58 -47.88 79.68 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 178.125 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . 0.778 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 10.5 ptm180 -70.97 -35.71 72.26 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 174.695 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . 0.46 ' HB2' ' O ' ' B' ' 15' ' ' ALA . 11.5 tp10 -49.1 -55.16 13.07 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.96 0.886 . . . . 0.0 110.589 -178.636 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.487 HD11 ' HB2' ' B' ' 39' ' ' HIS . 1.0 OUTLIER -66.54 -35.99 81.6 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.598 -1.183 . . . . 0.0 111.827 -178.885 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' TYR . . . . . 0.457 ' HA ' HD11 ' B' ' 36' ' ' ILE . 68.8 t80 -70.64 -39.41 73.69 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.617 -175.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.778 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 49.1 mt -64.63 -25.17 67.84 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.328 179.348 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.43 -56.68 3.61 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.975 178.521 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' ASN . . . . . 0.472 HD22 ' N ' ' B' ' 24' ' ' ASN . 0.9 OUTLIER -79.83 -1.57 39.56 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -170.946 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.08 -21.21 64.98 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 120.656 -0.417 . . . . 0.0 110.935 177.009 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -98.87 3.56 47.3 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.015 -179.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 50.0 t -97.86 107.23 19.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 176.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -101.48 148.54 25.07 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.173 -179.351 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.35 1.26 66.73 Favored Glycine 0 N--CA 1.445 -0.709 0 N-CA-C 110.256 -1.138 . . . . 0.0 110.256 -171.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . 0.406 ' HG2' ' N ' ' B' ' 31' ' ' ASP . 19.1 tt0 -129.6 149.33 51.41 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.948 -0.626 . . . . 0.0 109.614 177.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . 0.406 ' N ' ' HG2' ' B' ' 30' ' ' GLN . 9.6 t70 -70.34 129.27 38.87 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 172.564 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . 0.67 ' O ' HG12 ' B' ' 36' ' ' ILE . 2.2 p -79.49 -45.33 23.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 C-N-CA 119.832 -0.747 . . . . 0.0 111.032 -178.291 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . 0.69 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 14.4 p -70.34 -42.89 78.72 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.401 0 C-N-CA 120.985 -0.286 . . . . 0.0 110.397 -174.147 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.591 ' HA ' HD11 ' B' ' 37' ' ' LEU . 1.3 tm-20 -62.79 -40.17 96.49 Favored 'General case' 0 N--CA 1.444 -0.753 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 178.441 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . 0.52 ' O ' ' HD2' ' B' ' 39' ' ' HIS . . . -54.24 -51.17 65.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.017 175.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.67 HG12 ' O ' ' B' ' 32' ' ' VAL . 11.7 mm -57.25 -63.61 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.177 -178.083 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.69 ' HG ' ' O ' ' B' ' 33' ' ' VAL . 2.1 pp -65.43 -20.75 66.5 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.506 -175.426 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.63 -48.12 64.86 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.914 0.388 . . . . 0.0 111.211 176.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' HIS . . . . . 0.52 ' HD2' ' O ' ' B' ' 35' ' ' ALA . 50.2 m-70 -80.7 -21.47 41.22 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.678 -175.342 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.478 HD22 ' CD1' ' B' ' 20' ' ' LEU . 0.4 OUTLIER -76.8 81.16 3.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.878 0.371 . . . . 0.0 110.164 172.266 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 -87.28 35.0 0.69 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.708 0.766 . . . . 0.0 109.334 177.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 8.0 t -108.34 -20.5 13.11 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.817 -179.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . 0.469 HG21 ' CH2' ' B' ' 9' ' ' TRP . 6.8 m -134.77 117.25 12.87 Favored Pre-proline 0 C--O 1.234 0.246 0 CA-C-O 121.016 0.436 . . . . 0.0 112.073 -175.207 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo -76.02 89.94 1.2 Allowed 'Trans proline' 0 N--CA 1.463 -0.318 0 C-N-CA 122.813 2.342 . . . . 0.0 110.567 169.047 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . 0.42 ' CZ ' ' HE1' ' B' ' 9' ' ' TRP . 23.5 mtp180 -139.34 173.71 11.26 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.793 -174.021 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 15.2 t -96.99 168.21 10.61 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.835 -179.092 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . 0.545 ' HA ' ' CD2' ' B' ' 37' ' ' LEU . 0.3 OUTLIER -56.97 -44.13 82.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.45 -0.796 . . . . 0.0 111.538 -177.233 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 31.6 ttpt -53.85 -33.76 57.28 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.538 -0.755 . . . . 0.0 112.215 -176.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -74.82 -40.03 61.31 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.949 -171.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.505 HD13 ' HB3' ' B' ' 37' ' ' LEU . 2.5 mp -69.43 -45.27 79.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 177.112 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.649 HG22 HG12 ' B' ' 63' ' ' VAL . 81.1 mt -48.66 -47.23 15.52 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-O 121.563 0.697 . . . . 0.0 110.921 178.792 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' HIS . . . . . 0.469 ' HB3' ' NE2' ' B' ' 56' ' ' GLN . 3.0 m-70 -65.49 -53.39 43.23 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 114.919 -1.037 . . . . 0.0 112.894 -172.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 73.4 m-70 -58.38 -36.89 74.21 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 112.038 0.385 . . . . 0.0 112.038 -173.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . 0.601 HD22 HD11 ' B' ' 59' ' ' LEU . 79.5 mt -67.8 -43.33 79.93 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.219 -176.301 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . 0.454 HG11 ' C ' ' B' ' 62' ' ' SER . 13.3 m -78.84 -25.19 13.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.251 0.548 . . . . 0.0 109.984 178.014 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' GLN . . . . . 0.469 ' NE2' ' HB3' ' B' ' 52' ' ' HIS . 59.2 mt-30 -70.14 -32.73 70.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.752 175.518 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 73.6 mtm -82.23 3.23 28.24 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.982 177.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 67.95 10.17 58.26 Favored Glycine 0 N--CA 1.451 -0.345 0 CA-C-N 116.01 -0.541 . . . . 0.0 113.058 174.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.601 HD11 HD22 ' B' ' 54' ' ' LEU . 4.5 pp -91.69 -16.89 26.3 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.32 0.581 . . . . 0.0 109.701 179.476 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -118.97 153.95 33.82 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.279 175.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -64.64 -69.62 0.28 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.633 -176.187 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . 0.486 ' HB2' ' NZ ' ' B' ' 64' ' ' LYS . 25.2 m -158.69 175.21 13.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.685 -0.688 . . . . 0.0 109.746 -176.572 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 63' ' ' VAL . . . . . 0.649 HG12 HG22 ' B' ' 51' ' ' ILE . 16.3 m -69.23 -24.31 27.75 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.617 0 CA-C-O 121.357 0.599 . . . . 0.0 111.554 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . 0.486 ' NZ ' ' HB2' ' B' ' 62' ' ' SER . 15.6 mtmm -44.62 -50.36 9.79 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.51 -1.223 . . . . 0.0 110.853 174.68 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -71.51 -6.84 43.55 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 113.498 -1.683 . . . . 0.0 111.062 -171.372 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 . . . . . 0 N--CA 1.452 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.142 177.846 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 3.1 m . . . . . 0 N--CA 1.434 -1.269 0 N-CA-C 106.71 -1.589 . . . . 0.0 106.71 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.16 93.01 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 -171.535 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 76' ' ' TRP . . . . . 0.571 ' CZ3' ' HG2' ' B' ' 80' ' ' GLN . 60.2 m95 -92.5 108.97 20.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.271 0.557 . . . . 0.0 111.076 -174.647 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 56.9 p -106.9 166.49 10.56 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.421 176.097 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -55.66 -30.64 56.62 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.276 178.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -77.0 -46.66 23.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 122.923 -0.163 . . . . 0.0 111.013 177.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 80' ' ' GLN . . . . . 0.571 ' HG2' ' CZ3' ' B' ' 76' ' ' TRP . 29.6 tt0 -67.7 -36.66 81.06 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 120.504 -0.478 . . . . 0.0 111.01 -177.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -65.99 -37.28 85.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.928 0.394 . . . . 0.0 110.208 178.461 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 19.1 tp -70.51 -35.57 73.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.209 174.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . 0.484 ' CD ' HH21 ' B' ' 86' ' ' ARG . 6.1 tp10 -62.44 -39.21 92.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.105 179.729 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . 0.497 HD22 ' CH2' ' B' ' 76' ' ' TRP . 52.4 tp -63.79 -36.94 85.53 Favored 'General case' 0 C--O 1.225 -0.212 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.267 177.133 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . 0.492 ' O ' ' HG3' ' B' ' 89' ' ' GLU . 17.0 tt0 -62.3 -56.04 22.37 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.141 178.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 86' ' ' ARG . . . . . 0.484 HH21 ' CD ' ' B' ' 83' ' ' GLU . 20.1 mtm180 -56.63 -41.75 77.66 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.286 0.565 . . . . 0.0 110.831 179.613 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 87' ' ' LEU . . . . . 0.53 ' CD2' HG23 ' B' ' 101' ' ' ILE . 16.7 tp -64.91 -48.53 73.85 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.02 -179.761 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.554 ' CE1' HD21 ' B' ' 118' ' ' LEU . 2.1 t80 -62.58 -43.25 99.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.231 -177.148 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . 0.508 ' O ' ' HG2' ' B' ' 92' ' ' ARG . 52.5 mt-10 -62.16 -37.85 86.79 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.281 0.563 . . . . 0.0 111.039 -178.715 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -79.21 -33.23 43.97 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.398 -0.819 . . . . 0.0 112.285 -174.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -90.4 -8.41 50.7 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -177.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 92' ' ' ARG . . . . . 0.508 ' HG2' ' O ' ' B' ' 89' ' ' GLU . 12.9 ptm180 -75.98 -11.19 59.91 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.33 0.586 . . . . 0.0 109.993 177.06 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -79.44 -1.34 36.89 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.786 173.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 23.2 m -104.94 -164.23 1.02 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.504 178.087 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 20.2 p-10 -84.01 -49.83 8.57 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -175.332 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 96' ' ' ASP . . . . . 0.544 ' O ' ' HD2' ' B' ' 100' ' ' HIS . 11.0 t0 -124.28 98.95 5.99 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 176.697 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 97' ' ' VAL . . . . . 0.566 HG13 HD12 ' B' ' 98' ' ' LEU . 7.4 p -56.58 -43.69 79.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.786 -175.187 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . 0.642 ' O ' ' HG3' ' B' ' 102' ' ' MET . 5.8 mp -76.72 -41.21 46.01 Favored 'General case' 0 CA--C 1.516 -0.349 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -172.478 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 99' ' ' GLY . . . . . 0.404 ' O ' ' HG2' ' B' ' 103' ' ' LYS . . . -56.57 -39.06 84.32 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.628 -0.796 . . . . 0.0 111.749 177.222 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 100' ' ' HIS . . . . . 0.544 ' HD2' ' O ' ' B' ' 96' ' ' ASP . 45.6 m-70 -76.46 -33.91 58.71 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 -179.717 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 101' ' ' ILE . . . . . 0.53 ' O ' HG22 ' B' ' 105' ' ' ILE . 18.9 mt -56.05 -59.27 2.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.741 172.691 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 102' ' ' MET . . . . . 0.642 ' HG3' ' O ' ' B' ' 98' ' ' LEU . 59.6 mtp -60.17 -30.19 69.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.783 -170.459 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 103' ' ' LYS . . . . . 0.404 ' HG2' ' O ' ' B' ' 99' ' ' GLY . 74.5 mmtt -92.39 -27.1 17.73 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 121.033 -0.267 . . . . 0.0 111.516 -175.249 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -93.79 -23.18 18.27 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -174.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 105' ' ' ILE . . . . . 0.53 HG22 ' O ' ' B' ' 101' ' ' ILE . 10.8 tp -90.04 154.83 3.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 121.64 0.734 . . . . 0.0 111.153 -174.132 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 106' ' ' THR . . . . . 0.439 ' N ' HG13 ' B' ' 105' ' ' ILE . 12.6 t -55.49 -29.24 58.44 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.257 -1.338 . . . . 0.0 112.682 -177.21 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 107' ' ' ALA . . . . . 0.428 ' O ' HG23 ' B' ' 105' ' ' ILE . . . -112.73 128.79 56.51 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.331 -177.202 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 108' ' ' LYS . . . . . 0.497 ' N ' ' HE3' ' B' ' 108' ' ' LYS . 0.2 OUTLIER -75.89 101.55 5.2 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 174.043 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 109' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' B' ' 109' ' ' ARG . 44.7 mtt180 -112.07 137.68 49.77 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.845 -176.189 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 15.3 m -75.28 159.63 31.28 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.265 -175.451 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 10.2 mmt180 -57.98 -51.21 70.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.098 -177.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -64.55 -22.11 66.88 Favored 'General case' 0 C--O 1.224 -0.24 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.169 -179.377 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 113' ' ' ARG . . . . . 0.568 ' NE ' ' HE1' ' B' ' 76' ' ' TRP . 0.0 OUTLIER -80.41 -48.99 12.06 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.49 0.662 . . . . 0.0 109.796 179.59 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 114' ' ' ILE . . . . . 0.451 HG23 HD11 ' B' ' 84' ' ' LEU . 89.4 mt -59.59 -48.94 85.54 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.007 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.439 -177.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 115' ' ' VAL . . . . . 0.695 ' O ' HD23 ' B' ' 119' ' ' LEU . 9.8 m -65.08 -37.48 80.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.574 -178.156 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -59.18 -37.3 77.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.377 0.608 . . . . 0.0 110.526 177.653 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . 0.536 ' HB2' HH21 ' B' ' 113' ' ' ARG . 15.4 tppt? -77.98 -37.46 47.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.592 -179.57 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . 0.554 HD21 ' CE1' ' B' ' 88' ' ' PHE . 0.9 OUTLIER -58.85 -42.61 89.76 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.418 0.628 . . . . 0.0 110.208 175.59 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 119' ' ' LEU . . . . . 0.695 HD23 ' O ' ' B' ' 115' ' ' VAL . 3.7 mm? -67.0 -26.99 67.07 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.648 -1.16 . . . . 0.0 110.919 178.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -80.52 -36.45 33.18 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.671 -177.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 10.9 mp -69.76 -24.18 63.49 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-O 121.34 0.591 . . . . 0.0 109.971 170.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 72.8 34.96 58.87 Favored Glycine 0 N--CA 1.441 -1.019 0 CA-C-N 115.116 -0.947 . . . . 0.0 111.487 -175.018 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 76.7 mt -71.75 -28.42 63.64 Favored 'General case' 0 CA--C 1.512 -0.482 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 175.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 124' ' ' VAL . . . . . 0.542 HG21 ' CD2' ' B' ' 130' ' ' LEU . 25.3 m -140.8 173.77 8.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 114.147 -1.388 . . . . 0.0 109.502 177.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -115.51 -10.92 11.85 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.385 0.612 . . . . 0.0 110.313 178.255 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 126' ' ' GLU . . . . . 0.504 ' OE2' ' HB3' ' B' ' 128' ' ' ARG . 9.3 pt-20 -150.49 167.89 25.82 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.364 -0.835 . . . . 0.0 109.664 -179.406 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 127' ' ' ARG . . . . . 0.723 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 0.9 OUTLIER -78.23 -21.79 49.41 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.983 0.42 . . . . 0.0 110.328 177.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 128' ' ' ARG . . . . . 0.504 ' HB3' ' OE2' ' B' ' 126' ' ' GLU . 66.8 ttt180 -63.8 -23.51 67.39 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.937 -175.779 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 129' ' ' GLU . . . . . 0.457 ' HG3' ' CG ' ' B' ' 126' ' ' GLU . 40.4 mt-10 -78.93 -25.49 43.67 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.211 0.449 . . . . 0.0 112.211 -175.543 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 130' ' ' LEU . . . . . 0.723 ' HG ' ' O ' ' B' ' 127' ' ' ARG . 0.0 OUTLIER -82.76 13.91 3.54 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.73 0.776 . . . . 0.0 110.222 -176.864 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 131' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 . . . . . 0 C--N 1.313 -1.006 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 176.709 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 83.6 m95 . . . . . 0 N--CA 1.455 -0.222 0 CA-C-O 121.046 0.451 . . . . 0.0 111.922 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 37.6 t -76.61 149.41 80.98 Favored Pre-proline 0 C--N 1.322 -0.629 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 169.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -53.71 -29.86 53.52 Favored 'Trans proline' 0 CA--C 1.531 0.346 0 C-N-CA 122.495 2.13 . . . . 0.0 111.549 176.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -70.04 -31.05 68.5 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.627 177.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -84.66 -38.08 20.23 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.738 -176.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -64.9 -33.33 75.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.203 0.525 . . . . 0.0 110.283 177.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.88 -33.15 71.85 Favored 'General case' 0 C--O 1.221 -0.418 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.953 174.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.482 ' HA ' ' HB3' ' B' ' 19' ' ' GLU . 12.4 t-160 -71.55 -28.32 63.78 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.326 175.806 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.517 HD11 HG23 ' B' ' 50' ' ' ILE . 20.1 tp -66.42 -46.91 74.94 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.517 177.382 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . 0.736 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 13.8 ptp180 -73.65 -29.91 62.62 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 175.745 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . 0.482 ' HB3' ' HA ' ' B' ' 16' ' ' HIS . 16.0 tp10 -52.74 -55.38 23.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.417 0.627 . . . . 0.0 110.455 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.47 ' HB3' HG12 ' B' ' 36' ' ' ILE . 0.3 OUTLIER -68.16 -27.62 66.58 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.06 -0.973 . . . . 0.0 111.006 -178.561 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -73.29 -52.82 12.55 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.297 179.207 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.736 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 52.4 mt -60.9 -25.47 66.76 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.468 -178.089 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.42 -56.68 4.58 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.172 176.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' ASN . . . . . 0.588 ' O ' HG22 ' B' ' 27' ' ' VAL . 40.3 m-80 -97.54 20.23 12.12 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -171.115 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.589 ' HG3' ' OD1' ' B' ' 26' ' ' ASP . 12.8 ptmm? -79.93 -23.15 41.93 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 122.014 -0.428 . . . . 0.0 110.779 178.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' ASP . . . . . 0.589 ' OD1' ' HG3' ' B' ' 25' ' ' LYS . 1.4 m-20 -100.78 13.17 35.81 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.628 -174.616 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . 0.588 HG22 ' O ' ' B' ' 24' ' ' ASN . 22.1 m -90.94 141.21 14.75 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.791 0 CA-C-O 120.977 0.418 . . . . 0.0 110.079 177.512 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -120.91 136.61 54.91 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 -179.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.26 -0.83 69.1 Favored Glycine 0 N--CA 1.45 -0.387 0 N-CA-C 110.494 -1.042 . . . . 0.0 110.494 -172.342 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -136.81 148.79 47.38 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 114.633 -0.783 . . . . 0.0 109.577 179.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -86.17 136.1 33.33 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.176 173.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . 0.623 ' O ' HG13 ' B' ' 36' ' ' ILE . 13.4 p -67.12 -37.32 79.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 172.696 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . 0.754 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 0.2 OUTLIER -56.63 -57.1 10.57 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 CA-C-N 115.052 -0.976 . . . . 0.0 110.495 178.872 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -53.25 -38.04 62.65 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.404 -177.125 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.52 -53.12 59.52 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.591 176.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.623 HG13 ' O ' ' B' ' 32' ' ' VAL . 36.2 mt -62.61 -59.47 4.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.128 -177.252 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.754 ' HG ' ' O ' ' B' ' 33' ' ' VAL . 8.8 mt -49.04 -41.6 35.56 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 123.922 0.764 . . . . 0.0 111.553 -173.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.79 -34.84 16.94 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.437 -0.801 . . . . 0.0 113.069 -170.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 31.8 m-70 -78.11 -29.54 49.02 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -172.278 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' B' ' 36' ' ' ILE . 0.7 OUTLIER -93.32 81.07 4.42 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.893 0.854 . . . . 0.0 111.478 178.735 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 51.5 m-80 -81.41 42.94 0.7 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.704 177.49 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . 0.472 HG22 ' HB2' ' B' ' 40' ' ' LEU . 3.5 t -105.63 -18.6 14.03 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 114.798 -1.092 . . . . 0.0 109.882 -178.706 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . 0.454 ' HB ' HH11 ' B' ' 45' ' ' ARG . 3.4 m -133.18 107.08 12.33 Favored Pre-proline 0 N--CA 1.454 -0.259 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.969 -178.307 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_exo -65.88 99.98 0.41 Allowed 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 122.464 2.109 . . . . 0.0 111.048 169.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . 0.454 HH11 ' HB ' ' B' ' 43' ' ' VAL . 4.7 ptm180 -156.29 169.83 23.66 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-O 120.922 0.392 . . . . 0.0 110.983 179.777 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 14.7 t -75.8 162.23 28.35 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.907 175.478 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . 0.521 ' N ' ' HD3' ' B' ' 47' ' ' ARG . 0.3 OUTLIER -74.18 -25.35 59.66 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.327 -172.646 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -55.18 -35.25 64.61 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.207 175.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -64.78 -43.5 93.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.248 -176.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.517 HG23 HD11 ' B' ' 17' ' ' LEU . 3.0 mp -61.87 -51.7 69.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.389 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.43 HG23 ' CG ' ' B' ' 66' ' ' PHE . 68.7 mt -56.71 -42.36 76.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.653 179.181 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -63.59 -46.17 87.07 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.202 -0.908 . . . . 0.0 112.607 -174.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 85.6 m-70 -68.67 -27.33 65.89 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 120.299 -0.56 . . . . 0.0 111.559 -178.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . 0.498 HD22 HD11 ' B' ' 59' ' ' LEU . 70.0 mt -72.82 -46.02 55.32 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.235 0.541 . . . . 0.0 110.501 -176.326 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . 0.516 HG11 ' C ' ' B' ' 62' ' ' SER . 20.3 m -74.5 -24.78 18.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 121.416 0.627 . . . . 0.0 110.414 179.634 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -83.72 -17.84 39.91 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.098 178.377 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 7.1 ttp -90.55 5.51 47.5 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.455 0.645 . . . . 0.0 110.288 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 77.41 2.41 79.56 Favored Glycine 0 N--CA 1.453 -0.232 0 CA-C-N 115.859 -0.61 . . . . 0.0 113.651 172.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.498 HD11 HD22 ' B' ' 54' ' ' LEU . 4.4 pp -90.55 -13.32 34.78 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.113 0.482 . . . . 0.0 110.256 178.377 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -137.14 166.2 24.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.862 174.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -83.74 -67.62 0.78 Allowed 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -176.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . 0.516 ' C ' HG11 ' B' ' 55' ' ' VAL . 52.4 m -151.31 171.77 16.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.992 -173.307 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 38.7 t -58.02 -30.65 39.33 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.386 0 CA-C-O 121.484 0.659 . . . . 0.0 109.503 173.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . 0.427 ' H ' ' HG3' ' B' ' 64' ' ' LYS . 36.0 mttp -65.29 -21.76 66.76 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.77 -1.105 . . . . 0.0 111.025 -178.734 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -80.01 -31.09 39.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.38 0.61 . . . . 0.0 110.008 -179.628 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 66' ' ' PHE . . . . . 0.544 ' HD1' HG22 ' B' ' 33' ' ' VAL . 20.2 m-85 . . . . . 0 CA--C 1.511 -0.53 0 CA-C-O 122.132 0.968 . . . . 0.0 109.931 174.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.449 -0.513 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.54 ' O ' ' HG ' ' B' ' 75' ' ' LEU . 0.7 OUTLIER -49.02 108.15 0.17 Allowed 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 121.287 0.565 . . . . 0.0 111.15 -178.185 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 76' ' ' TRP . . . . . 0.549 ' CH2' HD22 ' B' ' 84' ' ' LEU . 64.4 m95 -101.64 112.32 24.86 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.298 -177.616 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 77' ' ' THR . . . . . 0.589 ' O ' ' HG3' ' B' ' 81' ' ' GLU . 73.9 p -97.99 153.93 18.04 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 172.34 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -53.39 -34.76 49.22 Favored Glycine 0 C--N 1.329 0.176 0 C-N-CA 121.004 -0.617 . . . . 0.0 112.247 -178.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -67.27 -50.11 61.74 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.497 -0.352 . . . . 0.0 110.746 176.386 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -65.66 -33.3 75.56 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.819 -178.291 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 81' ' ' GLU . . . . . 0.589 ' HG3' ' O ' ' B' ' 77' ' ' THR . 78.7 mt-10 -62.62 -40.43 96.93 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.079 0.466 . . . . 0.0 109.927 177.186 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 41.3 tp -66.73 -40.84 88.52 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.593 176.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -58.96 -36.52 74.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.48 177.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . 0.549 HD22 ' CH2' ' B' ' 76' ' ' TRP . 58.7 tp -64.56 -50.49 67.1 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.862 173.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -55.58 -53.52 55.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.837 -177.6 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 55.0 mtm180 -63.91 -40.33 96.23 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.731 -174.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 87' ' ' LEU . . . . . 0.492 ' O ' ' HB2' ' B' ' 90' ' ' GLU . 1.4 mp -73.13 -30.35 63.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.15 0.5 . . . . 0.0 110.613 178.346 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.608 ' O ' ' HB2' ' B' ' 92' ' ' ARG . 12.9 t80 -59.98 -36.2 76.65 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.257 174.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -80.14 -32.75 38.91 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.016 0.436 . . . . 0.0 110.695 177.331 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . 0.492 ' HB2' ' O ' ' B' ' 87' ' ' LEU . 12.5 mm-40 -49.39 -52.73 26.56 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.254 -0.884 . . . . 0.0 112.236 178.262 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -109.28 17.5 21.46 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.091 0.472 . . . . 0.0 111.13 -175.449 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 92' ' ' ARG . . . . . 0.608 ' HB2' ' O ' ' B' ' 88' ' ' PHE . 37.8 ttt85 -66.91 -27.63 67.65 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.354 -177.671 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -89.28 12.42 16.12 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.176 0.512 . . . . 0.0 110.816 -179.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 15.2 m -103.71 176.25 5.21 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 176.119 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -77.59 -26.95 51.13 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.591 -179.163 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 96' ' ' ASP . . . . . 0.47 ' HA ' ' HB2' ' B' ' 131' ' ' TYR . 21.2 t70 -135.91 105.94 6.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.042 0.448 . . . . 0.0 110.277 176.736 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 97' ' ' VAL . . . . . 0.616 ' O ' HG13 ' B' ' 101' ' ' ILE . 11.8 p -77.5 -40.18 28.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.388 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . 0.464 HD12 HG13 ' B' ' 97' ' ' VAL . 3.1 mp -68.81 -44.86 72.65 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 -167.73 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 99' ' ' GLY . . . . . 0.54 ' O ' ' HD3' ' B' ' 103' ' ' LYS . . . -62.63 -28.43 71.45 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.313 -0.946 . . . . 0.0 112.07 -178.074 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 55.7 m-70 -84.67 -27.54 27.02 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -178.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 101' ' ' ILE . . . . . 0.616 HG13 ' O ' ' B' ' 97' ' ' VAL . 78.2 mt -62.75 -54.12 37.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 171.811 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 102' ' ' MET . . . . . 0.416 ' HG3' ' O ' ' B' ' 98' ' ' LEU . 49.0 mtp -59.47 -37.08 77.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.858 -172.718 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 103' ' ' LYS . . . . . 0.54 ' HD3' ' O ' ' B' ' 99' ' ' GLY . 14.3 mptt -84.87 -16.56 40.84 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 -178.027 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -110.97 10.31 22.21 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -177.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 105' ' ' ILE . . . . . 0.456 HG23 ' O ' ' B' ' 107' ' ' ALA . 9.7 tp -113.7 154.16 15.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.158 0.504 . . . . 0.0 111.016 179.446 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 106' ' ' THR . . . . . 0.412 ' N ' HG13 ' B' ' 105' ' ' ILE . 13.4 t -61.35 -32.56 72.45 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.312 -0.858 . . . . 0.0 112.164 -176.579 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 107' ' ' ALA . . . . . 0.456 ' O ' HG23 ' B' ' 105' ' ' ILE . . . -111.54 127.0 55.58 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.998 -0.281 . . . . 0.0 110.432 179.308 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.65 101.44 11.52 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.33 0.586 . . . . 0.0 109.934 179.001 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 109' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' B' ' 109' ' ' ARG . 40.7 mtt180 -97.11 175.46 6.29 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.266 -176.14 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 46.9 t -100.9 155.97 17.64 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.441 177.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 22.2 mmt85 -58.76 -51.22 70.89 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.005 -178.06 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -64.82 -19.71 66.0 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.861 0.362 . . . . 0.0 111.923 -175.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -83.56 -36.26 24.11 Favored 'General case' 0 CA--C 1.511 -0.528 0 CA-C-O 121.188 0.518 . . . . 0.0 110.162 177.416 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 114' ' ' ILE . . . . . 0.452 HG21 ' HG ' ' B' ' 98' ' ' LEU . 74.0 mt -71.16 -49.03 51.43 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.779 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.659 -176.571 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 115' ' ' VAL . . . . . 0.546 ' O ' HD23 ' B' ' 119' ' ' LEU . 26.8 m -64.02 -38.77 83.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.686 179.587 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -58.56 -43.87 89.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.191 0.519 . . . . 0.0 110.48 177.356 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . 0.435 ' HD3' ' CD1' ' B' ' 76' ' ' TRP . 50.7 tptt -67.66 -40.2 84.5 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.882 179.754 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 2.6 mp -57.69 -47.31 82.7 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.847 0.356 . . . . 0.0 111.531 178.598 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 119' ' ' LEU . . . . . 0.546 HD23 ' O ' ' B' ' 115' ' ' VAL . 4.5 mm? -68.1 -26.2 65.7 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.765 -178.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -81.47 -38.2 26.74 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.321 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 96.6 mt -69.98 -24.18 63.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.364 175.089 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 78.56 34.9 34.11 Favored Glycine 0 N--CA 1.441 -0.988 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 -175.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 74.5 mt -79.19 -24.17 43.36 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.458 0.647 . . . . 0.0 109.383 177.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 124' ' ' VAL . . . . . 0.432 HG21 ' CD2' ' B' ' 130' ' ' LEU . 16.0 m -144.89 176.81 2.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 114.716 -1.129 . . . . 0.0 109.652 179.218 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -115.17 -18.16 11.21 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.198 0.523 . . . . 0.0 110.048 177.261 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 126' ' ' GLU . . . . . 0.433 ' CG ' ' HG3' ' B' ' 129' ' ' GLU . 14.4 pt-20 -147.32 170.43 17.33 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.206 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 127' ' ' ARG . . . . . 0.498 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 0.3 OUTLIER -77.84 -20.56 52.89 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 179.71 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 128' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' B' ' 128' ' ' ARG . 13.5 ttm-85 -61.02 -43.93 98.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.949 0.405 . . . . 0.0 112.043 -178.005 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 129' ' ' GLU . . . . . 0.433 ' HG3' ' CG ' ' B' ' 126' ' ' GLU . 40.2 mt-10 -60.3 -29.56 68.92 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 -169.408 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 130' ' ' LEU . . . . . 0.498 ' HG ' ' O ' ' B' ' 127' ' ' ARG . 0.1 OUTLIER -84.6 -40.49 17.44 Favored 'General case' 0 C--N 1.314 -0.945 0 C-N-CA 120.725 -0.39 . . . . 0.0 111.418 -173.597 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 131' ' ' TYR . . . . . 0.47 ' HB2' ' HA ' ' B' ' 96' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 C-N-CA 119.325 -0.95 . . . . 0.0 113.492 -174.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 66.8 m95 . . . . . 0 CA--C 1.518 -0.265 0 CA-C-O 121.284 0.564 . . . . 0.0 111.796 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 45.0 p -96.66 151.86 38.18 Favored Pre-proline 0 C--N 1.316 -0.879 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 168.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_exo -56.93 -28.98 80.43 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 121.92 1.747 . . . . 0.0 111.345 178.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -65.27 -42.87 92.8 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.361 176.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -75.72 -35.58 60.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.524 -178.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -67.15 -31.59 72.12 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.1 0.476 . . . . 0.0 110.204 176.259 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.41 -34.13 77.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.124 0.488 . . . . 0.0 110.158 173.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.52 ' HA ' ' CB ' ' B' ' 19' ' ' GLU . 12.0 t-160 -76.24 -27.84 56.92 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.349 176.371 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.529 HD11 HG23 ' B' ' 50' ' ' ILE . 27.4 tp -64.48 -47.93 77.14 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 176.379 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . 0.696 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 13.1 ptt180 -75.13 -27.57 59.83 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.001 175.692 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . 0.52 ' CB ' ' HA ' ' B' ' 16' ' ' HIS . 11.1 tp10 -50.37 -52.2 39.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.508 0.671 . . . . 0.0 110.038 176.428 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.447 ' HB3' HG12 ' B' ' 36' ' ' ILE . 0.3 OUTLIER -70.53 -32.72 70.29 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 114.889 -1.05 . . . . 0.0 111.437 -178.48 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 65.8 t80 -71.36 -51.55 23.54 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-O 120.823 0.344 . . . . 0.0 110.328 -178.596 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.696 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 49.1 mt -59.46 -28.54 67.07 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.4 -178.444 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.73 -46.26 38.6 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.731 179.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 -97.68 -2.32 41.65 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -171.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 14.6 ptmm? -71.71 -12.41 61.3 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.07 0.462 . . . . 0.0 110.961 -179.331 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -96.94 6.69 48.17 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.338 0.589 . . . . 0.0 110.488 -176.193 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 42.6 t -112.94 108.3 25.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.092 -176.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -80.28 141.21 35.74 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.841 -179.038 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 92.93 -19.34 52.51 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.521 178.165 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -91.88 144.13 25.79 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-O 120.959 0.409 . . . . 0.0 110.356 178.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -69.16 95.72 0.77 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.686 172.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . 0.574 ' O ' HG13 ' B' ' 36' ' ' ILE . 9.8 p -62.32 -39.06 82.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 C-N-CA 120.605 -0.438 . . . . 0.0 109.973 179.325 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . 0.851 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 1.8 m -65.01 -49.18 80.9 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.542 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.104 -179.578 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 47.5 tp10 -66.37 -32.5 73.92 Favored 'General case' 0 CA--C 1.521 -0.138 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 -178.169 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.35 -49.5 74.2 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.696 173.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.574 HG13 ' O ' ' B' ' 32' ' ' VAL . 48.1 mt -68.39 -57.45 9.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.839 -179.519 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.851 ' HG ' ' O ' ' B' ' 33' ' ' VAL . 14.9 mt -48.09 -40.14 22.42 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 123.557 0.536 . . . . 0.0 111.466 -175.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -89.06 -40.29 13.06 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 -171.496 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 39.6 m-70 -74.9 -24.98 58.61 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.726 -0.39 . . . . 0.0 111.904 -171.189 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' B' ' 36' ' ' ILE . 0.8 OUTLIER -99.04 80.64 2.49 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-O 121.948 0.88 . . . . 0.0 110.224 172.464 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -85.89 39.34 0.8 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 122.206 1.003 . . . . 0.0 108.876 -179.285 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 2.7 t -100.42 -17.26 17.28 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.226 -1.352 . . . . 0.0 109.756 -178.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . 0.515 ' HB ' HH11 ' B' ' 45' ' ' ARG . 2.8 m -131.56 105.69 14.39 Favored Pre-proline 0 N--CA 1.449 -0.503 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.521 -178.184 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_exo -73.19 101.31 1.33 Allowed 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.758 2.305 . . . . 0.0 110.531 172.046 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . 0.515 HH11 ' HB ' ' B' ' 43' ' ' VAL . 0.3 OUTLIER -155.97 176.76 12.23 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.173 0.511 . . . . 0.0 111.814 -174.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . 0.538 ' OG1' ' HG3' ' B' ' 49' ' ' GLN . 71.3 p -75.3 147.38 40.24 Favored 'General case' 0 N--CA 1.441 -0.925 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.545 178.457 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . 0.456 ' HB3' HD13 ' B' ' 37' ' ' LEU . 8.8 mmt180 -68.68 -29.45 67.91 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.144 0.497 . . . . 0.0 109.795 -173.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -51.36 -35.99 41.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.064 -0.971 . . . . 0.0 111.487 176.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.538 ' HG3' ' OG1' ' B' ' 46' ' ' THR . 52.9 mt-30 -64.59 -45.12 88.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.263 -175.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.529 HG23 HD11 ' B' ' 17' ' ' LEU . 1.8 mp -56.24 -51.73 59.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 O-C-N 123.175 0.297 . . . . 0.0 110.791 -179.377 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.497 HG23 ' CD1' ' B' ' 66' ' ' PHE . 2.9 mp -59.51 -43.99 91.98 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 CA-C-O 121.176 0.513 . . . . 0.0 110.282 179.285 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -64.38 -45.52 87.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.614 -176.034 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' HIS . . . . . 0.444 ' HB2' ' CD2' ' B' ' 17' ' ' LEU . 74.8 m-70 -67.31 -26.55 66.58 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 120.741 -0.384 . . . . 0.0 111.065 -176.567 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . 0.468 HD22 HD11 ' B' ' 59' ' ' LEU . 65.1 mt -74.43 -46.92 36.86 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.723 -179.357 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . 0.437 HG11 ' C ' ' B' ' 62' ' ' SER . 21.1 m -73.07 -19.73 18.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.284 0.564 . . . . 0.0 110.539 178.433 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -84.05 -18.62 36.4 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.912 175.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 6.1 ttp -94.01 10.9 31.67 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.333 0.587 . . . . 0.0 111.1 -175.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 68.84 21.63 75.19 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.978 -0.629 . . . . 0.0 113.452 173.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.468 HD11 HD22 ' B' ' 54' ' ' LEU . 3.8 pp -109.57 -16.11 14.03 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.428 0.632 . . . . 0.0 109.829 176.38 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -134.99 150.19 50.3 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.112 -0.949 . . . . 0.0 109.131 175.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -78.11 -56.57 4.37 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -175.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . 0.437 ' C ' HG11 ' B' ' 55' ' ' VAL . 13.2 m -149.21 172.07 15.44 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.797 -0.361 . . . . 0.0 111.548 -174.702 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 39.8 t -57.45 -28.16 30.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.933 179.541 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . 0.428 ' HG3' ' H ' ' B' ' 64' ' ' LYS . 28.8 mttm -61.54 -21.49 64.31 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.579 -176.619 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -66.9 -27.79 67.78 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.719 0.771 . . . . 0.0 109.995 178.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 66' ' ' PHE . . . . . 0.497 ' CD1' HG23 ' B' ' 51' ' ' ILE . 73.5 m-85 . . . . . 0 C--N 1.323 -0.56 0 CA-C-N 114.865 -1.061 . . . . 0.0 110.671 -177.05 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 27.9 m . . . . . 0 N--CA 1.438 -1.043 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -48.51 95.57 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.687 0.756 . . . . 0.0 111.37 -172.365 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 76' ' ' TRP . . . . . 0.488 ' HE1' ' HD2' ' B' ' 113' ' ' ARG . 18.2 m95 -91.35 108.71 20.07 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.205 -171.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 65.1 p -112.16 168.09 9.89 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.431 176.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.51 -38.41 80.41 Favored Glycine 0 CA--C 1.517 0.176 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.226 178.197 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . 0.446 ' O ' ' HG3' ' B' ' 83' ' ' GLU . 3.0 m-20 -63.05 -57.05 11.96 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.935 0.398 . . . . 0.0 110.632 178.284 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 80' ' ' GLN . . . . . 0.462 ' HG3' HH21 ' B' ' 109' ' ' ARG . 24.8 tt0 -61.11 -34.97 75.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.574 -177.076 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -66.93 -44.16 81.4 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.159 178.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 3.2 tt -61.42 -31.54 71.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.779 177.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . 0.446 ' HG3' ' O ' ' B' ' 79' ' ' ASP . 53.5 mt-10 -61.48 -56.41 20.46 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.885 0.374 . . . . 0.0 110.644 176.515 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 45.6 tp -59.11 -40.81 86.52 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.252 -173.031 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -55.64 -52.11 64.92 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 123.344 0.403 . . . . 0.0 110.889 179.198 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 86' ' ' ARG . . . . . 0.44 ' O ' ' HG2' ' B' ' 90' ' ' GLU . 50.0 mtm105 -60.55 -54.95 39.31 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.811 -175.635 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 87' ' ' LEU . . . . . 0.4 ' HB3' HG12 ' B' ' 101' ' ' ILE . 7.5 mp -61.89 -38.05 86.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.54 -176.419 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.639 ' CE1' ' HB3' ' B' ' 123' ' ' LEU . 11.5 t80 -54.79 -45.03 74.26 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.323 178.395 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -71.55 -35.17 70.54 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.596 -0.274 . . . . 0.0 111.498 -176.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' B' ' 86' ' ' ARG . 8.7 pt-20 -88.42 -19.58 26.37 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.649 -0.421 . . . . 0.0 111.951 -171.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -104.6 8.67 35.38 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.206 0.527 . . . . 0.0 110.27 173.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 92' ' ' ARG . . . . . 0.456 ' HB2' ' O ' ' B' ' 88' ' ' PHE . 53.3 ttt180 -67.89 -22.7 65.08 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.838 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -95.65 10.76 35.68 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.162 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 38.7 m -102.9 177.48 4.83 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.279 -177.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -67.68 -38.88 84.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.959 -174.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -143.84 108.3 4.83 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 173.094 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 97' ' ' VAL . . . . . 0.557 ' O ' HG13 ' B' ' 101' ' ' ILE . 3.5 p -63.31 -41.83 94.16 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.268 -175.223 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . 0.426 ' O ' ' HB ' ' B' ' 101' ' ' ILE . 4.7 mp -67.28 -43.14 82.54 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 111.706 0.261 . . . . 0.0 111.706 -175.647 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 99' ' ' GLY . . . . . 0.634 ' O ' ' HD3' ' B' ' 103' ' ' LYS . . . -63.26 -42.41 99.31 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 121.08 -0.581 . . . . 0.0 112.074 179.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 31.5 m-70 -71.2 -30.57 66.55 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 101' ' ' ILE . . . . . 0.557 HG13 ' O ' ' B' ' 97' ' ' VAL . 48.6 mt -57.64 -56.8 13.32 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.237 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.772 170.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 102' ' ' MET . . . . . 0.445 ' HE3' ' HG3' ' B' ' 111' ' ' ARG . 50.9 mtt -55.1 -40.95 71.02 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.094 -0.503 . . . . 0.0 112.349 -175.572 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 103' ' ' LYS . . . . . 0.634 ' HD3' ' O ' ' B' ' 99' ' ' GLY . 5.1 mptp? -69.94 -34.97 74.14 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.531 -178.676 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 48.6 m-80 -100.72 3.09 42.02 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -174.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 105' ' ' ILE . . . . . 0.49 HG13 ' H ' ' B' ' 107' ' ' ALA . 10.8 tp -104.09 148.09 9.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.156 0.503 . . . . 0.0 111.005 -178.159 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.0 -37.52 64.38 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.701 -178.723 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 107' ' ' ALA . . . . . 0.49 ' H ' HG13 ' B' ' 105' ' ' ILE . . . -86.88 128.71 35.05 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-O 120.789 0.328 . . . . 0.0 110.765 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.91 101.05 13.67 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 176.68 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 109' ' ' ARG . . . . . 0.462 HH21 ' HG3' ' B' ' 80' ' ' GLN . 33.2 mtt180 -111.82 166.01 11.57 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.438 -175.696 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 110' ' ' SER . . . . . 0.475 ' O ' HG13 ' B' ' 114' ' ' ILE . 42.8 t -98.68 154.58 17.85 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 176.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 111' ' ' ARG . . . . . 0.445 ' HG3' ' HE3' ' B' ' 102' ' ' MET . 73.6 mtt180 -63.75 -38.12 89.92 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -175.071 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -55.53 -38.4 69.19 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.362 0.601 . . . . 0.0 111.11 178.475 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 113' ' ' ARG . . . . . 0.694 ' O ' ' HD3' ' B' ' 113' ' ' ARG . 6.8 tpp180 -84.65 -24.12 29.19 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.506 -178.468 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 114' ' ' ILE . . . . . 0.475 HG13 ' O ' ' B' ' 110' ' ' SER . 87.2 mt -73.86 -49.78 32.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 122.036 -0.415 . . . . 0.0 110.837 175.312 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 115' ' ' VAL . . . . . 0.515 ' O ' HD23 ' B' ' 119' ' ' LEU . 30.1 m -62.28 -38.83 82.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.18 -175.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 116' ' ' ASP . . . . . 0.402 ' HB3' ' NH1' ' B' ' 113' ' ' ARG . 20.5 t70 -67.21 -34.8 78.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.209 0.528 . . . . 0.0 110.297 179.14 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . 0.409 ' HE3' HD11 ' B' ' 121' ' ' LEU . 52.3 tptt -70.03 -33.67 72.27 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.022 -176.577 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . 0.427 HD12 HD13 ' B' ' 130' ' ' LEU . 17.1 mt -60.63 -44.88 95.84 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 121.012 0.434 . . . . 0.0 110.289 176.662 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 119' ' ' LEU . . . . . 0.515 HD23 ' O ' ' B' ' 115' ' ' VAL . 4.4 mm? -60.89 -28.93 69.25 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.942 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.96 -38.93 52.34 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.031 -177.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 121' ' ' LEU . . . . . 0.409 HD11 ' HE3' ' B' ' 117' ' ' LYS . 11.0 mp -75.21 -25.34 58.09 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.764 175.658 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 80.55 32.8 32.92 Favored Glycine 0 N--CA 1.446 -0.682 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 -173.373 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . 0.639 ' HB3' ' CE1' ' B' ' 88' ' ' PHE . 78.4 mt -78.29 -24.41 46.74 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-O 121.748 0.785 . . . . 0.0 109.244 179.083 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 124' ' ' VAL . . . . . 0.487 HG11 HD22 ' B' ' 130' ' ' LEU . 29.0 m -137.13 168.01 22.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 114.229 -1.35 . . . . 0.0 109.839 175.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -99.48 -20.28 16.5 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 115.685 -0.688 . . . . 0.0 109.982 177.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 126' ' ' GLU . . . . . 0.457 ' OE2' ' HB3' ' B' ' 128' ' ' ARG . 16.5 pt-20 -160.21 177.99 10.1 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.05 -176.636 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 127' ' ' ARG . . . . . 0.658 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 0.3 OUTLIER -77.79 -25.65 49.12 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.741 0.305 . . . . 0.0 111.485 -179.337 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 128' ' ' ARG . . . . . 0.457 ' HB3' ' OE2' ' B' ' 126' ' ' GLU . 15.7 ttt180 -55.81 -35.54 66.44 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -178.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -69.1 -25.29 64.35 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.761 0.315 . . . . 0.0 111.657 -176.273 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 130' ' ' LEU . . . . . 0.658 ' HG ' ' O ' ' B' ' 127' ' ' ARG . 0.1 OUTLIER -99.93 14.44 30.46 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.343 0.592 . . . . 0.0 110.638 -178.482 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 131' ' ' TYR . . . . . 0.508 ' CE1' ' HB3' ' B' ' 127' ' ' ARG . 22.1 m-85 . . . . . 0 C--N 1.32 -0.714 0 N-CA-C 107.377 -1.342 . . . . 0.0 107.377 172.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' TRP . . . . . 0.506 ' CZ2' HG21 ' B' ' 43' ' ' VAL . 79.6 m95 . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.861 0.362 . . . . 0.0 110.605 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 14.6 m -68.83 151.33 97.31 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.336 173.309 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -47.73 -41.3 31.34 Favored 'Trans proline' 0 CA--C 1.53 0.319 0 C-N-CA 122.821 2.348 . . . . 0.0 113.01 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . 0.444 ' H ' ' CD ' ' B' ' 12' ' ' GLU . 1.7 mp0 -60.4 -42.71 96.5 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.095 0.474 . . . . 0.0 110.387 177.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -71.51 -32.7 68.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.216 -176.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . 0.413 ' O ' ' HB3' ' B' ' 17' ' ' LEU . 54.2 mt-10 -71.21 -34.4 70.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.057 0.456 . . . . 0.0 110.188 175.698 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.09 -28.6 67.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.234 0.54 . . . . 0.0 109.923 174.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.533 ' O ' ' HB3' ' B' ' 19' ' ' GLU . 11.5 t-160 -79.02 -31.42 44.67 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.1 175.43 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.543 HD11 HG23 ' B' ' 50' ' ' ILE . 27.6 tp -58.61 -53.47 57.96 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.626 174.27 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . 0.752 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 14.9 ptm180 -71.32 -28.39 64.06 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.547 177.155 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . 0.533 ' HB3' ' O ' ' B' ' 16' ' ' HIS . 8.6 tp10 -51.8 -50.03 61.56 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 121.66 0.743 . . . . 0.0 110.373 176.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.472 HD11 ' CB ' ' B' ' 39' ' ' HIS . 0.4 OUTLIER -73.62 -31.81 63.73 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.888 -1.051 . . . . 0.0 110.494 -177.894 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' TYR . . . . . 0.405 ' O ' ' HB3' ' B' ' 25' ' ' LYS . 71.3 t80 -68.94 -52.02 33.56 Favored 'General case' 0 C--O 1.222 -0.345 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.97 -179.729 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.752 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 49.1 mt -65.02 -22.42 66.99 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.84 -176.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.85 -37.26 62.26 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.772 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 -119.69 15.09 12.71 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -174.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.405 ' HB3' ' O ' ' B' ' 21' ' ' TYR . 14.9 ptmm? -72.47 -22.98 60.99 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.001 0.429 . . . . 0.0 111.426 -175.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -95.18 4.68 53.33 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.268 -175.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 37.8 t -90.48 108.01 19.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 178.575 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -89.22 135.53 33.52 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.594 -177.021 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.95 19.65 39.17 Favored Glycine 0 N--CA 1.447 -0.586 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -176.453 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -132.54 145.31 51.04 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.279 -0.46 . . . . 0.0 110.429 -177.661 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -77.59 95.27 4.52 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 173.001 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . 0.471 ' O ' HG13 ' B' ' 36' ' ' ILE . 4.3 p -63.44 -27.92 43.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 178.256 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . 0.783 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 1.7 t -62.73 -60.61 2.48 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.126 178.273 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.449 ' HA ' HD12 ' B' ' 37' ' ' LEU . 7.1 tp10 -61.0 -33.68 73.63 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.513 -177.235 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.46 -47.16 69.99 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.41 0.624 . . . . 0.0 109.599 175.316 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.479 ' O ' ' HG ' ' B' ' 40' ' ' LEU . 51.3 mt -74.14 -57.74 6.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.821 179.358 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.783 ' HG ' ' O ' ' B' ' 33' ' ' VAL . 13.1 mt -46.62 -45.14 18.86 Favored 'General case' 0 N--CA 1.474 0.775 0 O-C-N 123.825 0.703 . . . . 0.0 111.494 -175.248 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.85 -25.89 21.93 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.214 -0.903 . . . . 0.0 113.405 -169.246 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' HIS . . . . . 0.472 ' CB ' HD11 ' B' ' 20' ' ' LEU . 24.2 m-70 -85.98 -26.19 25.6 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.512 0.56 . . . . 0.0 112.512 -174.519 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' B' ' 36' ' ' ILE . 0.6 OUTLIER -97.81 83.28 3.15 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.917 0.865 . . . . 0.0 111.459 176.91 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 52.8 m-80 -83.41 39.7 0.68 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.64 0.733 . . . . 0.0 110.065 178.447 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 3.0 t -99.41 -10.98 21.56 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 114.73 -1.123 . . . . 0.0 109.198 175.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . 0.506 HG21 ' CZ2' ' B' ' 9' ' ' TRP . 2.0 m -140.37 103.14 6.6 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 115.136 -0.938 . . . . 0.0 111.508 -177.633 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -77.53 95.46 1.07 Allowed 'Trans proline' 0 CA--C 1.532 0.375 0 C-N-CA 122.072 1.848 . . . . 0.0 111.42 172.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . 0.48 ' CD ' ' HB ' ' B' ' 43' ' ' VAL . 6.0 ptm180 -153.05 168.86 24.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.075 0.464 . . . . 0.0 111.72 -176.622 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 11.6 t -65.88 160.81 22.53 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.747 -177.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . 0.448 ' HB3' HD13 ' B' ' 37' ' ' LEU . 9.7 mmm180 -72.81 -27.3 61.88 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.904 -171.688 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 30.3 ttpt -55.89 -37.14 68.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.141 -0.936 . . . . 0.0 111.47 176.436 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 69.9 mm-40 -58.89 -53.03 63.02 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.517 -175.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.543 HG23 HD11 ' B' ' 17' ' ' LEU . 3.0 mp -57.73 -49.07 82.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.849 -178.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.486 HG23 ' CG ' ' B' ' 66' ' ' PHE . 77.3 mt -56.02 -47.35 80.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 121.462 0.649 . . . . 0.0 110.584 178.366 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' HIS . . . . . 0.527 ' O ' ' HB2' ' B' ' 56' ' ' GLN . 0.1 OUTLIER -54.49 -50.26 68.21 Favored 'General case' 0 C--O 1.22 -0.499 0 CA-C-N 114.906 -1.043 . . . . 0.0 111.644 -178.521 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -73.23 -22.07 60.5 Favored 'General case' 0 C--N 1.314 -0.965 0 C-N-CA 120.961 -0.296 . . . . 0.0 111.542 -170.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . 0.447 ' CD2' HD11 ' B' ' 59' ' ' LEU . 79.7 mt -69.42 -50.47 45.51 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.806 0.336 . . . . 0.0 110.449 173.336 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 32.7 m -76.39 -31.16 20.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 C-N-CA 120.843 -0.343 . . . . 0.0 111.335 -178.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' GLN . . . . . 0.527 ' HB2' ' O ' ' B' ' 52' ' ' HIS . 0.0 OUTLIER -61.4 -29.77 70.14 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-O 121.021 0.438 . . . . 0.0 110.635 174.185 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 19.4 ttm -85.84 -0.64 55.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.957 -176.375 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 68.61 17.79 71.28 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 121.163 -0.541 . . . . 0.0 112.431 178.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.447 HD11 ' CD2' ' B' ' 54' ' ' LEU . 4.5 pp -99.09 -19.49 17.18 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.401 0.62 . . . . 0.0 109.889 178.495 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -115.99 168.27 10.23 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.172 -0.922 . . . . 0.0 109.791 175.203 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -81.35 -68.32 0.7 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.952 0.406 . . . . 0.0 111.764 -175.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 19.6 m -154.15 165.69 35.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.65 -173.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 63' ' ' VAL . . . . . 0.419 HG22 HG22 ' B' ' 51' ' ' ILE . 49.3 t -68.82 -24.93 29.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.327 177.268 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 46.4 mtpt -61.22 -34.39 75.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.428 -0.806 . . . . 0.0 111.215 -179.374 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -66.3 -31.48 72.31 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.055 -179.247 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 66' ' ' PHE . . . . . 0.486 ' CG ' HG23 ' B' ' 51' ' ' ILE . 19.9 m-85 . . . . . 0 C--N 1.325 -0.495 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.464 -176.045 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . 0.42 HG13 ' HD3' ' B' ' 113' ' ' ARG . 26.9 m . . . . . 0 N--CA 1.442 -0.863 0 N-CA-C 109.994 -0.372 . . . . 0.0 109.994 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -50.14 89.8 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.464 0.65 . . . . 0.0 111.862 179.741 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 76' ' ' TRP . . . . . 0.485 ' CH2' HD22 ' B' ' 84' ' ' LEU . 17.6 m95 -81.85 109.24 16.04 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 121.412 0.625 . . . . 0.0 110.018 -179.754 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 77' ' ' THR . . . . . 0.512 ' O ' ' HG3' ' B' ' 81' ' ' GLU . 70.9 p -114.35 163.25 15.55 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.374 179.745 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -54.83 -36.01 59.22 Favored Glycine 0 N--CA 1.453 -0.195 0 C-N-CA 120.512 -0.851 . . . . 0.0 111.924 177.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -72.26 -40.78 67.4 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.532 0.206 . . . . 0.0 110.749 178.531 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 80' ' ' GLN . . . . . 0.419 ' HG2' ' CZ3' ' B' ' 76' ' ' TRP . 25.5 tt0 -68.3 -36.52 79.47 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 121.052 -0.259 . . . . 0.0 110.796 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 81' ' ' GLU . . . . . 0.512 ' HG3' ' O ' ' B' ' 77' ' ' THR . 52.7 mt-10 -64.33 -35.14 79.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.957 0.408 . . . . 0.0 110.019 177.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 51.7 tp -68.43 -42.23 79.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.626 175.167 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -63.13 -27.56 69.46 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.667 177.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . 0.664 HD11 HG23 ' B' ' 114' ' ' ILE . 67.0 tp -72.37 -50.73 24.48 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 171.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -48.07 -61.36 2.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.936 179.101 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 72.8 mtt180 -56.86 -52.75 63.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.983 -174.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 7.3 mp -66.77 -32.82 74.35 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 111.871 0.323 . . . . 0.0 111.871 -176.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.508 ' CE1' ' HB3' ' B' ' 123' ' ' LEU . 13.8 t80 -55.34 -50.41 69.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.576 -0.283 . . . . 0.0 110.753 178.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -72.72 -38.02 67.6 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.841 0.353 . . . . 0.0 110.796 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -60.55 -28.33 68.35 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.547 -176.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -121.21 12.7 11.06 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.479 -179.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 92' ' ' ARG . . . . . 0.423 ' HB2' ' O ' ' B' ' 88' ' ' PHE . 53.9 ttt180 -66.64 -30.12 70.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.979 0.419 . . . . 0.0 111.094 -178.019 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -92.09 17.79 8.98 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.221 0.534 . . . . 0.0 111.013 -176.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 83.3 p -103.75 -178.87 3.79 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 176.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -66.48 -49.03 67.98 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.976 0.417 . . . . 0.0 110.884 -174.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -135.41 107.03 6.93 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.192 0.52 . . . . 0.0 109.825 177.192 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 97' ' ' VAL . . . . . 0.511 ' O ' HG13 ' B' ' 101' ' ' ILE . 2.9 p -65.32 -38.79 83.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.465 -0.789 . . . . 0.0 112.163 -175.055 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . 0.826 HD22 HG21 ' B' ' 114' ' ' ILE . 8.1 mt -69.82 -36.28 75.5 Favored 'General case' 0 N--CA 1.463 0.209 0 C-N-CA 120.501 -0.479 . . . . 0.0 111.26 -174.604 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 99' ' ' GLY . . . . . 0.704 ' O ' ' HD3' ' B' ' 103' ' ' LYS . . . -59.84 -44.46 97.04 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.625 -0.798 . . . . 0.0 111.416 175.753 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -68.77 -29.08 67.39 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 179.065 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 101' ' ' ILE . . . . . 0.607 ' O ' HG22 ' B' ' 105' ' ' ILE . 32.3 mt -60.41 -58.72 6.09 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.113 173.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 61.3 mtt -57.69 -37.59 73.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.666 0.269 . . . . 0.0 111.535 -176.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 103' ' ' LYS . . . . . 0.704 ' HD3' ' O ' ' B' ' 99' ' ' GLY . 4.6 mptp? -69.51 -34.01 73.66 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.491 -177.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -99.11 -25.88 14.39 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 -174.14 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 105' ' ' ILE . . . . . 0.607 HG22 ' O ' ' B' ' 101' ' ' ILE . 11.0 tp -91.5 149.86 3.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.579 0.704 . . . . 0.0 111.246 -177.113 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 8.1 t -69.72 -37.57 76.58 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-N 114.719 -1.128 . . . . 0.0 111.468 -177.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 107' ' ' ALA . . . . . 0.435 ' O ' HG23 ' B' ' 105' ' ' ILE . . . -84.86 128.62 34.7 Favored 'General case' 0 CA--C 1.513 -0.476 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -81.3 102.1 10.19 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 108.166 -1.049 . . . . 0.0 108.166 176.229 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 109' ' ' ARG . . . . . 0.542 ' HA ' HH11 ' B' ' 113' ' ' ARG . 47.8 mtt180 -107.26 118.59 37.1 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.394 -176.393 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 110' ' ' SER . . . . . 0.696 ' H ' ' NH1' ' B' ' 113' ' ' ARG . 27.1 t -64.45 158.31 24.2 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.037 178.638 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 111' ' ' ARG . . . . . 0.545 HH21 ' HB2' ' B' ' 98' ' ' LEU . 39.8 mtp180 -71.84 -35.44 69.88 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.132 -0.486 . . . . 0.0 112.203 -166.104 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 112' ' ' ALA . . . . . 0.443 ' O ' ' HB2' ' B' ' 116' ' ' ASP . . . -62.64 -29.57 70.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.966 0.412 . . . . 0.0 110.432 176.521 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 113' ' ' ARG . . . . . 0.696 ' NH1' ' H ' ' B' ' 110' ' ' SER . 55.4 mtt180 -71.06 -41.53 70.61 Favored 'General case' 0 CA--C 1.515 -0.383 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 179.204 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 114' ' ' ILE . . . . . 0.826 HG21 HD22 ' B' ' 98' ' ' LEU . 71.8 mt -70.66 -58.16 6.03 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.687 0 CA-C-N 114.652 -1.158 . . . . 0.0 111.833 -176.641 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 115' ' ' VAL . . . . . 0.601 ' O ' HD23 ' B' ' 119' ' ' LEU . 16.8 m -62.36 -34.04 62.26 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.642 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.64 -170.432 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 116' ' ' ASP . . . . . 0.443 ' HB2' ' O ' ' B' ' 112' ' ' ALA . 0.1 OUTLIER -73.62 -32.7 64.2 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.509 178.25 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . 0.473 ' HA ' ' HD2' ' B' ' 117' ' ' LYS . 11.7 tptm -79.29 -26.52 42.27 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 120.23 -0.588 . . . . 0.0 110.502 -177.022 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . 0.446 ' HB3' HG22 ' B' ' 124' ' ' VAL . 10.2 mt -60.82 -49.09 78.89 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-O 120.913 0.387 . . . . 0.0 110.74 174.303 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 119' ' ' LEU . . . . . 0.601 HD23 ' O ' ' B' ' 115' ' ' VAL . 4.6 mm? -59.51 -31.57 69.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.501 178.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -73.01 -46.13 53.81 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.968 -178.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 121' ' ' LEU . . . . . 0.456 HD13 ' O ' ' B' ' 117' ' ' LYS . 10.8 mp -66.04 -24.71 66.79 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.119 176.096 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 80.74 31.31 36.55 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.662 -0.78 . . . . 0.0 111.321 -174.309 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . 0.508 ' HB3' ' CE1' ' B' ' 88' ' ' PHE . 51.3 mt -80.39 -24.02 40.0 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-O 121.766 0.793 . . . . 0.0 109.364 179.129 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 124' ' ' VAL . . . . . 0.446 HG22 ' HB3' ' B' ' 118' ' ' LEU . 19.6 m -139.55 172.78 12.32 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-N 114.551 -1.204 . . . . 0.0 110.014 176.003 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -112.77 -17.94 12.42 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.312 178.004 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -149.27 168.25 23.84 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.642 178.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 127' ' ' ARG . . . . . 0.763 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 94.6 mtt180 -78.08 -20.93 51.31 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 121.103 -0.239 . . . . 0.0 111.25 178.543 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 128' ' ' ARG . . . . . . . . . . . . . 5.6 ttm180 -55.37 -39.52 70.19 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.813 0.339 . . . . 0.0 111.718 -178.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -62.07 -27.8 69.16 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.813 -175.344 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 130' ' ' LEU . . . . . 0.763 ' HG ' ' O ' ' B' ' 127' ' ' ARG . 0.1 OUTLIER -92.83 4.53 53.67 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.277 0.561 . . . . 0.0 110.959 -177.233 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 131' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 . . . . . 0 C--N 1.319 -0.747 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 171.059 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' TRP . . . . . 0.416 ' HB3' ' HG3' ' B' ' 14' ' ' GLU . 25.6 m95 . . . . . 0 C--O 1.234 0.237 0 CA-C-O 121.142 0.496 . . . . 0.0 111.945 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 18.8 m -75.05 150.14 85.52 Favored Pre-proline 0 N--CA 1.446 -0.664 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 171.568 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_exo -50.72 -40.4 56.28 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.631 2.221 . . . . 0.0 112.65 -178.079 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -59.02 -39.99 83.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.294 179.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -71.71 -37.67 70.63 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.303 -176.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . 0.416 ' HG3' ' HB3' ' B' ' 9' ' ' TRP . 32.1 mt-10 -74.86 -27.06 60.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.934 0.397 . . . . 0.0 110.516 177.292 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . 0.532 ' O ' ' HB2' ' B' ' 19' ' ' GLU . . . -68.5 -22.2 64.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.215 0.531 . . . . 0.0 109.691 172.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.492 ' HA ' ' CB ' ' B' ' 19' ' ' GLU . 17.8 t-160 -90.77 -28.28 18.35 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.355 176.134 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.43 ' CD2' ' HB2' ' B' ' 53' ' ' HIS . 32.2 tp -65.52 -46.28 80.23 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.489 174.433 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . 0.754 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 30.4 ptt180 -71.59 -30.94 66.39 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 175.593 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . 0.532 ' HB2' ' O ' ' B' ' 15' ' ' ALA . 10.2 tp10 -53.52 -50.51 65.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.236 -179.174 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.43 -26.17 59.9 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.923 -1.035 . . . . 0.0 110.899 -178.159 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' TYR . . . . . 0.457 ' HA ' HD11 ' B' ' 36' ' ' ILE . 82.9 t80 -71.81 -51.96 19.92 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-O 121.107 0.48 . . . . 0.0 110.038 178.314 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.754 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 27.6 mt -62.86 -18.93 63.62 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.972 -178.224 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.79 -38.54 32.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.093 178.304 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 49.4 m-80 -114.73 12.84 17.18 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -174.056 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.446 ' HD2' ' HA ' ' B' ' 22' ' ' LEU . 22.1 ptmt -68.73 -26.5 65.29 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -174.562 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -106.83 12.12 29.31 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.116 0.484 . . . . 0.0 110.66 -175.31 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 60.9 t -93.55 107.87 19.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.23 179.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -86.68 148.04 25.63 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.165 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 92.45 -3.93 76.05 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.703 -0.76 . . . . 0.0 111.516 -177.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . 0.443 ' HG2' ' N ' ' B' ' 31' ' ' ASP . 13.7 tt0 -130.77 147.82 52.47 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.875 0.369 . . . . 0.0 110.314 179.809 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . 0.443 ' N ' ' HG2' ' B' ' 30' ' ' GLN . 6.3 m-20 -76.29 109.29 9.86 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.655 170.701 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . 0.411 ' O ' HG13 ' B' ' 36' ' ' ILE . 7.8 p -58.94 -35.45 56.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 170.348 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . 0.668 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 3.8 t -53.51 -59.97 1.57 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.542 0 CA-C-N 114.191 -1.368 . . . . 0.0 110.524 178.334 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.531 ' HA ' ' CD1' ' B' ' 37' ' ' LEU . 38.9 tt0 -67.99 -34.66 76.97 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.795 -175.806 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.33 -42.16 73.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.664 0.745 . . . . 0.0 109.92 177.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.463 HD13 HD11 ' B' ' 54' ' ' LEU . 76.9 mt -72.98 -61.99 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 114.878 -1.055 . . . . 0.0 111.252 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.668 ' HG ' ' O ' ' B' ' 33' ' ' VAL . 3.3 pp -63.36 -18.99 64.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.605 -0.725 . . . . 0.0 112.678 -172.128 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . 0.42 ' N ' HD12 ' B' ' 37' ' ' LEU . . . -81.72 -50.38 9.35 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.712 0.291 . . . . 0.0 111.521 179.002 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 49.5 m-70 -75.47 -29.35 59.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.824 0.345 . . . . 0.0 110.894 -173.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 1.4 mt -88.03 79.29 8.02 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.343 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -111.0 36.83 3.01 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 122.096 0.95 . . . . 0.0 109.025 172.363 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -82.31 -30.43 30.49 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 113.883 -1.508 . . . . 0.0 109.019 172.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -111.34 117.93 48.46 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 114.781 -1.1 . . . . 0.0 108.886 173.662 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -79.93 103.7 1.59 Allowed 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 122.161 1.907 . . . . 0.0 111.551 177.507 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . 0.472 HH11 ' HB2' ' B' ' 45' ' ' ARG . 0.0 OUTLIER -152.05 178.04 9.86 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.473 -175.908 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 11.5 t -78.34 162.41 26.5 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 173.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . 0.448 ' CG ' HD22 ' B' ' 37' ' ' LEU . 0.6 OUTLIER -66.93 -29.88 69.87 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.869 0.366 . . . . 0.0 110.654 -178.191 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -49.05 -31.45 7.78 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.982 176.14 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.462 ' HG3' ' CB ' ' B' ' 45' ' ' ARG . 46.8 mm-40 -59.33 -52.85 63.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.557 178.344 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.41 HG23 HD11 ' B' ' 17' ' ' LEU . 2.8 mp -53.69 -52.83 30.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.905 -177.631 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.432 HG22 HG22 ' B' ' 63' ' ' VAL . 3.6 mp -63.04 -43.21 98.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.215 -175.204 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -61.33 -46.59 89.62 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.879 -177.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' HIS . . . . . 0.43 ' HB2' ' CD2' ' B' ' 17' ' ' LEU . 76.2 m-70 -65.58 -36.89 85.07 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.611 -0.436 . . . . 0.0 111.606 -177.47 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . 0.463 HD11 HD13 ' B' ' 36' ' ' ILE . 80.3 mt -64.33 -45.94 85.65 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.084 0.468 . . . . 0.0 110.939 -176.452 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . 0.468 HG11 ' C ' ' B' ' 62' ' ' SER . 12.3 m -78.52 -23.62 13.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.308 0.575 . . . . 0.0 110.429 -178.761 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -78.36 -24.7 46.3 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.54 -0.754 . . . . 0.0 111.286 178.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 70.9 mtm -84.43 -2.09 56.64 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.955 0.407 . . . . 0.0 110.733 176.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 75.18 3.13 68.71 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 121.061 -0.59 . . . . 0.0 112.843 176.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.462 HD11 ' CD2' ' B' ' 54' ' ' LEU . 4.2 pp -85.94 -19.11 30.96 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.429 0.633 . . . . 0.0 110.008 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -116.3 170.4 8.56 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.518 173.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -83.25 -68.17 0.73 Allowed 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.726 -0.39 . . . . 0.0 111.695 -177.158 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . 0.468 ' C ' HG11 ' B' ' 55' ' ' VAL . 31.7 m -158.0 165.63 34.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.718 -173.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 63' ' ' VAL . . . . . 0.432 HG22 HG22 ' B' ' 51' ' ' ILE . 69.1 t -61.99 -27.02 41.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.049 175.24 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 46.9 mtmt -57.94 -31.71 67.11 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.88 -1.054 . . . . 0.0 112.002 -178.354 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -82.49 -26.32 32.68 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.11 0.481 . . . . 0.0 110.864 -177.069 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 66' ' ' PHE . . . . . 0.45 ' CD1' HG22 ' B' ' 33' ' ' VAL . 17.1 m-85 . . . . . 0 C--N 1.327 -0.401 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.943 -176.352 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.439 -1.024 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 46.7 tp -52.36 89.94 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 -168.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 76' ' ' TRP . . . . . 0.544 ' CH2' HD22 ' B' ' 84' ' ' LEU . 96.3 m95 -89.66 109.1 20.1 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.977 0.418 . . . . 0.0 110.629 178.582 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 77' ' ' THR . . . . . 0.417 ' O ' ' HG3' ' B' ' 81' ' ' GLU . 42.8 p -111.43 167.34 10.39 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 108.72 -0.845 . . . . 0.0 108.72 173.364 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -53.95 -32.73 49.38 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.551 -0.833 . . . . 0.0 111.566 176.215 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -65.75 -55.31 17.96 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.47 -0.365 . . . . 0.0 110.616 176.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -66.39 -35.42 80.27 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.421 -177.133 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 81' ' ' GLU . . . . . 0.417 ' HG3' ' O ' ' B' ' 77' ' ' THR . 55.1 mt-10 -61.63 -39.63 91.98 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 176.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . 0.485 ' O ' ' HG3' ' B' ' 86' ' ' ARG . 30.7 tp -66.88 -43.52 83.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.499 176.569 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . 0.452 ' CD ' HH21 ' B' ' 86' ' ' ARG . 8.4 mm-40 -59.93 -41.58 92.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.717 179.529 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . 0.544 HD22 ' CH2' ' B' ' 76' ' ' TRP . 60.8 tp -63.05 -48.03 80.42 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 174.437 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . 0.446 ' O ' ' HG3' ' B' ' 89' ' ' GLU . 1.0 OUTLIER -54.07 -53.19 56.61 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.862 -179.102 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 86' ' ' ARG . . . . . 0.485 ' HG3' ' O ' ' B' ' 82' ' ' LEU . 40.2 mtm180 -61.05 -50.23 74.17 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.962 0.411 . . . . 0.0 111.451 -179.004 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 87' ' ' LEU . . . . . 0.413 HD11 HD22 ' B' ' 104' ' ' ASN . 7.7 tp -66.81 -39.44 87.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.04 -173.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.636 ' CE2' ' HB3' ' B' ' 123' ' ' LEU . 1.0 OUTLIER -56.55 -41.45 76.85 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.726 179.518 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . 0.446 ' HG3' ' O ' ' B' ' 85' ' ' GLN . 33.1 mt-10 -69.24 -41.16 77.36 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.079 0.466 . . . . 0.0 110.388 178.446 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -65.83 -33.74 76.54 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.357 -0.838 . . . . 0.0 112.062 -172.011 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -112.75 17.06 19.37 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.952 -0.299 . . . . 0.0 111.059 -179.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 92' ' ' ARG . . . . . 0.609 ' HB2' ' O ' ' B' ' 88' ' ' PHE . 18.9 ttt180 -73.78 -16.34 61.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.697 0.76 . . . . 0.0 109.664 177.192 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -71.66 -1.41 13.64 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.794 -1.093 . . . . 0.0 110.59 174.008 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 19.2 m -103.85 157.35 17.14 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.03 178.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -79.01 -5.87 54.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.422 -177.695 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -147.98 79.42 1.46 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.089 0.471 . . . . 0.0 109.743 173.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 97' ' ' VAL . . . . . 0.558 ' O ' HG13 ' B' ' 101' ' ' ILE . 2.6 p -64.12 -34.66 70.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.387 -175.473 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . 0.517 HD12 HG13 ' B' ' 97' ' ' VAL . 7.3 mp -63.24 -33.25 75.09 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 121.052 -0.259 . . . . 0.0 111.362 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -69.0 -31.0 72.09 Favored Glycine 0 CA--C 1.509 -0.291 0 C-N-CA 120.707 -0.759 . . . . 0.0 111.571 176.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 35.2 m-70 -79.3 -30.17 42.79 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 177.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 101' ' ' ILE . . . . . 0.558 HG13 ' O ' ' B' ' 97' ' ' VAL . 71.8 mt -62.03 -61.19 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.393 174.565 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 58.4 mtt -52.35 -43.54 64.69 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -175.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -74.71 -25.21 58.98 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.353 -0.385 . . . . 0.0 112.01 -176.243 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 104' ' ' ASN . . . . . 0.413 HD22 HD11 ' B' ' 87' ' ' LEU . 64.8 t30 -104.02 -20.17 13.95 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -174.653 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 105' ' ' ILE . . . . . 0.446 HG22 ' O ' ' B' ' 101' ' ' ILE . 11.2 tp -91.24 158.58 2.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.45 0.643 . . . . 0.0 111.381 -175.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 106' ' ' THR . . . . . 0.446 ' N ' HG13 ' B' ' 105' ' ' ILE . 7.4 t -77.87 -16.46 58.25 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.839 -175.197 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -111.73 128.73 56.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.643 0.259 . . . . 0.0 111.31 -177.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.31 102.46 14.01 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 176.013 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 35.8 mtt180 -108.87 179.44 4.18 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.077 -176.108 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 4.3 m -99.32 152.2 20.2 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.266 179.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 10.1 mmt180 -58.48 -50.72 72.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.016 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -60.73 -30.5 70.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.187 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 113' ' ' ARG . . . . . 0.538 ' HA ' ' HE ' ' B' ' 113' ' ' ARG . 0.0 OUTLIER -74.25 -33.06 63.19 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.439 -178.862 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 78.4 mt -78.96 -44.35 24.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.232 179.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 115' ' ' VAL . . . . . 0.417 HG22 ' CD1' ' B' ' 130' ' ' LEU . 49.5 t -55.94 -54.02 31.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.889 176.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -58.04 -36.95 73.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.64 -178.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . 0.428 ' HE3' HD11 ' B' ' 121' ' ' LEU . 40.8 tptt -68.28 -39.71 82.03 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.045 -176.593 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . 0.437 HD12 HD22 ' B' ' 130' ' ' LEU . 20.5 mt -60.81 -50.23 74.29 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 120.94 0.4 . . . . 0.0 110.349 177.318 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -58.54 -35.4 72.25 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.8 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -74.25 -42.37 59.78 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.245 -177.063 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 121' ' ' LEU . . . . . 0.428 HD11 ' HE3' ' B' ' 117' ' ' LYS . 8.8 mp -70.98 -25.72 62.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.131 0.491 . . . . 0.0 111.093 176.553 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 82.68 33.4 24.84 Favored Glycine 0 N--CA 1.442 -0.911 0 C-N-CA 120.508 -0.853 . . . . 0.0 111.088 -173.199 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . 0.636 ' HB3' ' CE2' ' B' ' 88' ' ' PHE . 55.0 mt -80.03 -27.75 39.43 Favored 'General case' 0 CA--C 1.511 -0.544 0 N-CA-C 108.204 -1.035 . . . . 0.0 108.204 177.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 124' ' ' VAL . . . . . 0.441 HG21 ' CD2' ' B' ' 130' ' ' LEU . 35.8 m -136.57 165.5 28.48 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 113.43 -1.714 . . . . 0.0 108.372 172.213 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -105.99 -14.75 15.09 Favored 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 176.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 126' ' ' GLU . . . . . 0.425 ' O ' HD21 ' B' ' 130' ' ' LEU . 17.3 pt-20 -156.83 172.48 18.57 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.904 -176.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 127' ' ' ARG . . . . . 0.807 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 93.3 mtt180 -80.07 -20.33 45.43 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -176.09 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 128' ' ' ARG . . . . . . . . . . . . . 29.8 mtt180 -47.7 -49.39 28.05 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 121.133 0.492 . . . . 0.0 110.971 179.691 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -68.83 -12.52 61.62 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.348 -0.842 . . . . 0.0 112.824 -170.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 130' ' ' LEU . . . . . 0.807 ' HG ' ' O ' ' B' ' 127' ' ' ARG . 0.0 OUTLIER -88.89 -6.47 57.29 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.456 -177.745 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 131' ' ' TYR . . . . . . . . . . . . . 4.6 p90 . . . . . 0 C--N 1.327 -0.409 0 CA-C-O 121.515 0.674 . . . . 0.0 110.607 174.386 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . 0.65 ' OD2' ' HB2' ' B' ' 4' ' ' ARG . 6.5 p-10 . . . . . 0 N--CA 1.484 1.229 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_exo -43.25 -69.74 0.08 OUTLIER 'Trans proline' 0 C--N 1.354 0.857 0 C-N-CA 124.155 3.237 . . . . 0.0 116.248 -163.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 23.0 p -138.64 43.68 2.11 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.478 0.656 . . . . 0.0 111.555 -171.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . 0.65 ' HB2' ' OD2' ' B' ' 1' ' ' ASP . 17.0 mtp85 -121.24 -163.41 1.04 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.345 -178.641 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' B' ' 5' ' ' ARG . 0.2 OUTLIER -68.49 63.48 0.1 Allowed 'General case' 0 CA--C 1.543 0.684 0 CA-C-O 122.184 0.992 . . . . 0.0 111.276 176.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.568 ' HB3' ' O ' ' B' ' 44' ' ' PRO . . . -95.41 125.68 48.86 Favored Pre-proline 0 C--N 1.319 -0.747 0 O-C-N 121.716 -0.615 . . . . 0.0 111.711 -176.391 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' B' ' 6' ' ' ALA . 6.3 Cg_exo -84.19 119.6 2.45 Favored 'Trans proline' 0 N--CA 1.444 -1.39 0 C-N-CA 122.139 1.893 . . . . 0.0 113.518 169.24 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 14.1 m -136.53 92.35 2.75 Favored 'General case' 0 C--N 1.306 -1.316 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 158.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 75.9 m95 -137.5 166.39 23.98 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.579 0.704 . . . . 0.0 111.307 -169.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . 0.515 ' H ' ' HB3' ' B' ' 13' ' ' GLU . 51.8 p -146.45 167.07 14.76 Favored Pre-proline 0 C--N 1.312 -1.029 0 N-CA-C 107.515 -1.291 . . . . 0.0 107.515 174.517 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -53.31 -32.77 62.79 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 121.749 1.633 . . . . 0.0 110.903 174.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 59.9 tt0 -73.6 -44.79 56.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.849 -1.069 . . . . 0.0 110.973 177.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.515 ' HB3' ' H ' ' B' ' 10' ' ' SER . 7.5 tp10 -66.13 -39.44 89.88 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.62 0.248 . . . . 0.0 111.119 -177.33 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -76.72 -21.91 54.61 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.443 -0.503 . . . . 0.0 110.443 178.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.43 -24.39 61.21 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.662 0.744 . . . . 0.0 109.366 169.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.53 ' O ' ' HB3' ' B' ' 19' ' ' GLU . 12.6 t-160 -82.88 -23.59 33.57 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.659 -1.155 . . . . 0.0 109.467 174.557 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.524 HD11 HG13 ' B' ' 50' ' ' ILE . 38.1 tp -73.69 -46.94 43.27 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 176.126 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . 0.816 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 9.4 ptm180 -67.1 -33.49 75.58 Favored 'General case' 0 N--CA 1.443 -0.785 0 N-CA-C 108.585 -0.895 . . . . 0.0 108.585 173.572 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . 0.53 ' HB3' ' O ' ' B' ' 16' ' ' HIS . 13.1 tp10 -49.87 -56.68 9.55 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.261 0.553 . . . . 0.0 110.481 177.268 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.96 -33.93 76.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.599 -179.221 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' TYR . . . . . 0.42 ' CD1' HD22 ' B' ' 54' ' ' LEU . 5.6 t80 -68.23 -49.23 62.11 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 -178.303 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.816 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 29.3 mt -63.9 -31.41 72.58 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.722 -179.328 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.64 -34.81 53.11 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.766 -178.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 22.7 m-80 -107.67 8.16 28.89 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -174.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 14.9 ptmm? -86.26 -13.2 47.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.38 0.609 . . . . 0.0 109.642 171.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -73.34 -32.87 64.81 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.657 -176.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 4.9 p -75.48 140.58 17.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.65 -0.704 . . . . 0.0 109.451 175.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -106.73 139.36 41.28 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.979 0.419 . . . . 0.0 111.622 -171.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.86 21.36 79.34 Favored Glycine 0 N--CA 1.451 -0.326 0 CA-C-N 115.78 -0.645 . . . . 0.0 112.903 176.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . 0.478 ' HG2' ' N ' ' B' ' 31' ' ' ASP . 0.0 OUTLIER -110.16 163.2 13.84 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 120.536 0.207 . . . . 0.0 110.496 -179.08 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . 0.478 ' N ' ' HG2' ' B' ' 30' ' ' GLN . 9.6 m-20 -80.36 94.96 6.24 Favored 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 173.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.434 ' O ' HG13 ' B' ' 36' ' ' ILE . 9.9 p -68.28 -30.73 48.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.406 -176.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . 0.411 HG21 ' HB3' ' B' ' 67' ' ' GLN . 1.1 t -62.81 -53.6 44.72 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.294 -178.361 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.413 ' HA ' ' HB2' ' B' ' 37' ' ' LEU . 39.7 mt-10 -63.36 -34.67 78.23 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.52 179.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . 0.552 ' O ' ' HD2' ' B' ' 39' ' ' HIS . . . -55.7 -49.61 72.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.642 0.734 . . . . 0.0 109.564 176.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.528 HD13 HD11 ' B' ' 54' ' ' LEU . 40.5 mt -67.15 -63.05 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.919 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.992 177.057 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.741 HD23 HD13 ' B' ' 50' ' ' ILE . 11.1 mt -41.4 -44.62 2.87 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.002 0.921 . . . . 0.0 113.097 -177.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -86.89 -22.9 25.43 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 -169.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' HIS . . . . . 0.552 ' HD2' ' O ' ' B' ' 35' ' ' ALA . 75.8 m-70 -91.72 -30.05 16.49 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 119.673 -0.811 . . . . 0.0 112.997 -174.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.693 ' HG ' ' O ' ' B' ' 40' ' ' LEU . 2.1 pt? -95.57 81.85 3.58 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 118.834 -1.147 . . . . 0.0 110.521 177.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -84.13 38.83 0.68 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.707 0.765 . . . . 0.0 109.951 -178.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . 0.44 HG21 ' CD ' ' B' ' 13' ' ' GLU . 7.3 t -91.73 -28.54 17.35 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.814 -1.085 . . . . 0.0 110.274 -177.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . 0.421 HG12 HG23 ' B' ' 42' ' ' THR . 4.4 p -136.18 128.61 17.54 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.656 -175.365 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . 0.568 ' O ' ' HB3' ' B' ' 6' ' ' ALA . 71.6 Cg_endo -78.24 97.75 1.16 Allowed 'Trans proline' 0 N--CA 1.46 -0.465 0 C-N-CA 122.763 2.309 . . . . 0.0 111.815 176.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.494 ' HB3' ' O ' ' B' ' 6' ' ' ALA . 0.0 OUTLIER -145.76 145.88 31.0 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.079 -177.502 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 11.0 t -69.55 174.38 5.04 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 115.665 -0.698 . . . . 0.0 112.544 -173.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . 0.574 ' HA ' HD21 ' B' ' 37' ' ' LEU . 1.0 OUTLIER -56.76 -38.83 73.0 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.156 -0.929 . . . . 0.0 111.024 179.364 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.473 ' O ' ' HB2' ' B' ' 52' ' ' HIS . 8.2 tttt -60.45 -25.64 66.15 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.559 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -75.32 -38.28 60.34 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.219 0.452 . . . . 0.0 112.219 -172.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.741 HD13 HD23 ' B' ' 37' ' ' LEU . 1.5 mp -63.8 -49.21 82.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 174.659 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.566 HG12 ' CD2' ' B' ' 66' ' ' PHE . 59.4 mt -58.81 -48.2 86.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.217 0.532 . . . . 0.0 110.219 179.227 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' HIS . . . . . 0.473 ' HB2' ' O ' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -52.49 -61.24 2.4 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.936 -1.029 . . . . 0.0 112.134 -176.795 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' HIS . . . . . 0.524 ' HB2' ' CD2' ' B' ' 17' ' ' LEU . 9.8 m-70 -69.08 -24.64 64.17 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.709 0.29 . . . . 0.0 111.602 -171.131 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . 0.528 HD11 HD13 ' B' ' 36' ' ' ILE . 78.5 mt -76.99 -47.0 21.97 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.778 0.323 . . . . 0.0 111.187 -177.359 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 23.9 m -74.89 -20.75 16.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 C-N-CA 120.236 -0.586 . . . . 0.0 110.019 177.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -79.27 -30.13 42.9 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.752 176.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.524 ' HB2' ' CD2' ' B' ' 59' ' ' LEU . 72.3 mtm -83.53 2.35 37.45 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.652 177.58 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 68.75 21.45 74.93 Favored Glycine 0 N--CA 1.45 -0.425 0 CA-C-N 115.888 -0.596 . . . . 0.0 113.321 173.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.524 ' CD2' ' HB2' ' B' ' 57' ' ' MET . 1.9 pt? -106.11 -8.5 17.42 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 176.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -118.47 165.75 13.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.383 173.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -83.46 -67.38 0.79 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.989 0.423 . . . . 0.0 112.034 -175.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 47.5 m -157.82 166.52 32.48 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.001 -172.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 55.7 t -61.53 -34.91 63.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.669 0.747 . . . . 0.0 110.19 174.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . 0.509 ' HG2' ' H ' ' B' ' 71' ' ' THR . 5.8 mtmp? -54.86 -49.17 71.79 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.69 -1.141 . . . . 0.0 111.252 -179.389 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -64.71 -19.72 65.92 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.971 -1.013 . . . . 0.0 111.682 -172.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' PHE . . . . . 0.566 ' CD2' HG12 ' B' ' 51' ' ' ILE . 3.2 m-85 -79.49 -52.63 7.79 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 -168.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' GLN . . . . . 0.411 ' HB3' HG21 ' B' ' 33' ' ' VAL . 5.3 pt20 -164.24 0.14 0.03 OUTLIER 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 115.218 1.562 . . . . 0.0 115.218 -171.522 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -131.87 173.37 11.24 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 119.23 -0.988 . . . . 0.0 112.622 -170.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -61.49 131.82 51.4 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 114.879 -1.055 . . . . 0.0 110.118 177.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -51.54 115.3 3.68 Favored Glycine 0 N--CA 1.451 -0.363 0 CA-C-N 115.44 -0.8 . . . . 0.0 113.863 -176.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . 0.509 ' H ' ' HG2' ' B' ' 64' ' ' LYS . 9.6 p -120.0 108.93 14.9 Favored 'General case' 0 N--CA 1.446 -0.65 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 172.107 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 3.2 p80 -66.1 0.44 1.95 Allowed 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 122.418 0.287 . . . . 0.0 111.144 -178.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . 0.497 ' H ' ' C ' ' B' ' 71' ' ' THR . 1.4 mm -11.56 115.62 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 N-CA-C 115.911 1.819 . . . . 0.0 115.911 -158.038 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . 0.617 HG22 HE22 ' B' ' 80' ' ' GLN . 0.5 OUTLIER -54.13 126.39 10.67 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.737 0 CA-C-N 112.885 -1.961 . . . . 0.0 108.834 166.807 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -48.01 97.97 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.143 0.902 . . . . 0.0 111.698 -176.009 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' TRP . . . . . 0.451 ' NE1' ' HG3' ' B' ' 117' ' ' LYS . 48.1 m95 -86.39 110.19 19.54 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.955 -175.412 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' THR . . . . . 0.406 ' O ' ' HG3' ' B' ' 81' ' ' GLU . 74.0 p -106.99 167.98 9.52 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.67 176.567 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -55.15 -44.52 83.81 Favored Glycine 0 N--CA 1.454 -0.158 0 C-N-CA 121.211 -0.519 . . . . 0.0 113.016 -177.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -66.42 -40.06 89.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.854 0.359 . . . . 0.0 110.908 179.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' GLN . . . . . 0.617 HE22 HG22 ' B' ' 74' ' ' VAL . 21.8 tt0 -68.27 -39.72 82.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.585 -177.212 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' GLU . . . . . 0.406 ' HG3' ' O ' ' B' ' 77' ' ' THR . 59.8 mt-10 -61.47 -34.06 74.82 Favored 'General case' 0 CA--C 1.518 -0.27 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 175.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 20.3 tp -66.2 -35.34 80.19 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.933 -178.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -54.37 -57.4 11.42 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 122.011 0.91 . . . . 0.0 108.683 176.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . 0.4 HD11 HG23 ' B' ' 114' ' ' ILE . 25.5 tp -63.66 -44.33 94.11 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 114.026 -1.443 . . . . 0.0 110.871 -177.273 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . 0.462 HE21 ' N ' ' B' ' 86' ' ' ARG . 0.0 OUTLIER -57.97 -55.05 39.92 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.049 -177.78 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' ARG . . . . . 0.462 ' N ' HE21 ' B' ' 85' ' ' GLN . 95.3 mtt180 -66.22 -52.89 43.44 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 111.741 0.274 . . . . 0.0 111.741 -176.26 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 6.9 mp -58.33 -41.11 83.88 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 111.628 0.232 . . . . 0.0 111.628 -176.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.702 ' CE1' ' HB3' ' B' ' 123' ' ' LEU . 24.9 t80 -54.01 -49.05 69.75 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.665 178.706 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -80.28 -16.46 54.62 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 120.667 -0.413 . . . . 0.0 111.246 -175.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -87.02 -25.34 24.29 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.227 -178.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 91' ' ' PHE . . . . . 0.426 ' O ' ' HB ' ' B' ' 97' ' ' VAL . 86.3 m-85 -119.81 19.76 12.39 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.979 0.418 . . . . 0.0 110.451 177.485 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 92' ' ' ARG . . . . . 0.476 ' HB2' ' O ' ' B' ' 88' ' ' PHE . 53.6 ttt180 -69.7 -30.64 68.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.328 0.585 . . . . 0.0 109.826 -179.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -86.75 37.33 0.75 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.491 177.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 50.5 m -119.88 178.53 4.56 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.18 178.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -77.91 -16.62 58.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.577 -177.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -168.24 99.15 0.43 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 175.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 97' ' ' VAL . . . . . 0.537 ' O ' HG13 ' B' ' 101' ' ' ILE . 2.2 p -68.75 -36.88 76.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.556 -175.205 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . 0.453 HD12 HG13 ' B' ' 97' ' ' VAL . 8.1 mp -65.73 -34.07 77.34 Favored 'General case' 0 CA--C 1.518 -0.285 0 C-N-CA 120.903 -0.319 . . . . 0.0 111.464 -179.084 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 99' ' ' GLY . . . . . 0.653 ' O ' ' HG2' ' B' ' 103' ' ' LYS . . . -54.87 -41.7 77.06 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.676 -0.773 . . . . 0.0 111.328 172.378 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -74.48 -36.52 63.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.677 0.275 . . . . 0.0 110.53 178.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' ILE . . . . . 0.864 ' O ' ' HB ' ' B' ' 105' ' ' ILE . 71.3 mt -56.03 -37.22 47.7 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.454 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.485 -178.614 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' MET . . . . . 0.547 ' HE2' ' O ' ' B' ' 109' ' ' ARG . 49.6 mtt -82.57 -33.41 28.1 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 179.521 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' LYS . . . . . 0.653 ' HG2' ' O ' ' B' ' 99' ' ' GLY . 73.4 mmtt -75.87 -37.14 59.19 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.807 0.337 . . . . 0.0 111.381 -175.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -102.98 18.88 20.6 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.165 -172.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 105' ' ' ILE . . . . . 0.864 ' HB ' ' O ' ' B' ' 101' ' ' ILE . 9.5 tp -104.56 166.92 2.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.925 0.869 . . . . 0.0 112.782 -171.06 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 106' ' ' THR . . . . . 0.534 ' N ' HG13 ' B' ' 105' ' ' ILE . 3.0 m -87.09 -44.52 11.48 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-N 114.068 -1.424 . . . . 0.0 110.925 170.481 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . 0.523 ' H ' HG13 ' B' ' 105' ' ' ILE . . . -99.74 129.1 45.83 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -175.078 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 108' ' ' LYS . . . . . 0.404 ' HA ' ' HE2' ' B' ' 108' ' ' LYS . 7.9 mmpt? -82.66 103.12 11.94 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.03 177.305 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 109' ' ' ARG . . . . . 0.547 ' O ' ' HE2' ' B' ' 102' ' ' MET . 43.6 mtm-85 -115.86 177.69 4.58 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.996 -177.667 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 47.7 t -99.59 159.47 15.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.897 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 44.7 mmm-85 -60.87 -50.65 72.57 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.349 178.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 112' ' ' ALA . . . . . 0.417 ' HA ' HG22 ' B' ' 115' ' ' VAL . . . -60.78 -33.97 73.77 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 121.351 0.596 . . . . 0.0 110.968 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . 0.566 ' HA ' ' CZ ' ' B' ' 113' ' ' ARG . 1.2 tpp180 -70.44 -36.73 74.13 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.713 -179.463 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 114' ' ' ILE . . . . . 0.4 HG23 HD11 ' B' ' 84' ' ' LEU . 94.6 mt -75.63 -45.8 38.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.509 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 115' ' ' VAL . . . . . 0.581 ' O ' HD23 ' B' ' 119' ' ' LEU . 25.6 m -63.31 -37.55 79.78 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.132 0 CA-C-O 120.6 0.238 . . . . 0.0 111.321 -176.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -62.92 -40.75 98.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.332 0.587 . . . . 0.0 110.573 176.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . 0.515 ' O ' HD13 ' B' ' 121' ' ' LEU . 2.4 mmtm -72.98 -29.26 62.92 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.76 -177.29 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . 0.443 HD22 HD12 ' B' ' 123' ' ' LEU . 16.5 mt -60.86 -49.16 78.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.065 0.459 . . . . 0.0 110.301 174.052 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 119' ' ' LEU . . . . . 0.581 HD23 ' O ' ' B' ' 115' ' ' VAL . 4.6 mm? -60.17 -35.49 75.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.684 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -70.3 -39.71 74.69 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.265 -178.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 121' ' ' LEU . . . . . 0.515 HD13 ' O ' ' B' ' 117' ' ' LYS . 10.6 mp -72.56 -25.52 61.39 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 121.072 0.463 . . . . 0.0 110.906 175.419 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 83.87 31.17 27.13 Favored Glycine 0 N--CA 1.443 -0.853 0 N-CA-C 111.285 -0.726 . . . . 0.0 111.285 -174.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . 0.702 ' HB3' ' CE1' ' B' ' 88' ' ' PHE . 69.3 mt -78.57 -27.55 45.74 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-O 121.513 0.673 . . . . 0.0 109.237 179.604 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 124' ' ' VAL . . . . . 0.47 HG11 ' CD2' ' B' ' 130' ' ' LEU . 20.1 m -140.69 176.51 4.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 114.723 -1.126 . . . . 0.0 110.042 175.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -113.82 -9.38 13.11 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.72 177.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -164.94 174.6 10.34 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.05 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 127' ' ' ARG . . . . . 0.704 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 0.6 OUTLIER -79.24 -22.31 44.97 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 -177.097 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 128' ' ' ARG . . . . . . . . . . . . . 3.7 ptp180 -71.29 -26.19 62.76 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.202 -0.599 . . . . 0.0 111.665 -174.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -66.07 -26.62 67.57 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 120.903 0.382 . . . . 0.0 110.971 -177.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 130' ' ' LEU . . . . . 0.704 ' HG ' ' O ' ' B' ' 127' ' ' ARG . 0.1 OUTLIER -94.51 1.6 55.7 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.725 -178.412 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 131' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -126.4 46.15 2.51 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.035 178.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 16.9 mmtp -111.45 -174.32 2.44 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.243 -177.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 84.1 mttt -91.37 172.21 8.68 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.791 178.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 134' ' ' ARG . . . . . 0.562 ' O ' ' HG2' ' B' ' 134' ' ' ARG . 0.0 OUTLIER -63.04 80.94 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 122.456 1.122 . . . . 0.0 111.499 177.201 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 29.7 pt20 -98.87 152.77 19.39 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.272 176.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 136' ' ' LYS . . . . . 0.401 ' HD3' ' HA ' ' B' ' 136' ' ' LYS . 16.2 mmtp -132.59 70.88 1.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 122.042 0.925 . . . . 0.0 110.467 171.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt -138.67 152.93 48.48 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.148 -1.387 . . . . 0.0 107.763 176.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 97.1 mt -46.36 105.42 0.06 Allowed 'General case' 0 C--N 1.327 -0.393 0 O-C-N 123.508 0.505 . . . . 0.0 110.256 176.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . -80.64 81.04 6.99 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.313 0.578 . . . . 0.0 111.166 -174.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 19.1 m -131.25 88.92 2.65 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.774 174.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 141' ' ' SER . . . . . . . . . . . . . 19.6 t . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.463 -0.779 . . . . 0.0 109.741 179.392 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . 0.434 ' HB2' ' HB2' ' B' ' 4' ' ' ARG . 3.6 m-20 . . . . . 0 N--CA 1.482 1.149 0 N-CA-C 110.527 -0.175 . . . . 0.0 110.527 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -59.93 -55.2 1.76 Allowed 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.614 2.209 . . . . 0.0 112.952 -179.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 4.5 m -92.93 -32.06 14.7 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.835 0.35 . . . . 0.0 110.877 -178.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . 0.434 ' HB2' ' HB2' ' B' ' 1' ' ' ASP . 70.9 mtt180 -88.97 95.84 10.48 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.34 0.591 . . . . 0.0 110.368 -175.248 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . 0.453 ' O ' ' HA ' ' B' ' 45' ' ' ARG . 1.6 mmm180 -104.75 150.36 24.83 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.34 175.13 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -114.23 103.85 54.94 Favored Pre-proline 0 C--N 1.316 -0.887 0 C-N-CA 119.879 -0.728 . . . . 0.0 111.422 172.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_endo -103.31 173.98 0.18 Allowed 'Trans proline' 0 N--CA 1.442 -1.555 0 C-N-CA 123.151 2.567 . . . . 0.0 112.667 174.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 2.7 p -88.04 125.31 34.49 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 120.982 0.42 . . . . 0.0 110.075 173.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' TRP . . . . . 0.476 ' CZ2' ' HD3' ' B' ' 45' ' ' ARG . 14.9 m95 -74.63 147.2 41.78 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.317 -174.712 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 15.0 m -79.67 149.19 70.82 Favored Pre-proline 0 C--N 1.32 -0.714 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 170.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo -47.38 -44.8 24.09 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.979 2.453 . . . . 0.0 113.003 -177.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -68.01 -26.02 65.68 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.509 -178.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -79.25 -34.51 42.59 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.991 -0.284 . . . . 0.0 110.422 -176.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -75.37 -28.61 59.59 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.998 0.428 . . . . 0.0 110.513 175.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.84 -37.4 81.84 Favored 'General case' 0 C--O 1.221 -0.417 0 CA-C-O 121.375 0.607 . . . . 0.0 109.384 171.1 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.508 ' O ' ' HB3' ' B' ' 19' ' ' GLU . 18.3 t-160 -70.39 -27.31 64.21 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.056 -0.975 . . . . 0.0 110.173 175.486 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.468 HD21 ' HB2' ' B' ' 53' ' ' HIS . 46.9 tp -65.58 -48.91 70.74 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.799 177.258 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . 0.728 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 17.4 ptt180 -73.47 -29.96 62.86 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 175.478 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . 0.508 ' HB3' ' O ' ' B' ' 16' ' ' HIS . 16.4 tp10 -49.19 -49.61 41.91 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.672 0.749 . . . . 0.0 110.096 175.779 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.508 ' HB3' HG12 ' B' ' 36' ' ' ILE . 0.4 OUTLIER -70.47 -37.41 74.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.105 -0.952 . . . . 0.0 111.351 -179.652 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' TYR . . . . . 0.458 ' O ' ' HB3' ' B' ' 25' ' ' LYS . 86.0 t80 -69.54 -47.6 63.15 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-O 120.855 0.359 . . . . 0.0 110.596 -176.548 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.728 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 62.1 mt -60.3 -31.23 70.07 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.526 -178.095 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.5 -41.96 30.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.492 -178.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -107.18 19.32 20.54 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 112.378 0.511 . . . . 0.0 112.378 -171.1 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.458 ' HB3' ' O ' ' B' ' 21' ' ' TYR . 22.1 pttm -82.73 -13.38 56.43 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.857 0.36 . . . . 0.0 111.496 -177.051 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -103.03 14.43 31.93 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.149 0.499 . . . . 0.0 111.108 -172.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 37.6 t -110.93 108.44 25.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.139 179.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -91.17 155.46 18.59 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.397 178.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.75 7.32 86.06 Favored Glycine 0 N--CA 1.451 -0.336 0 N-CA-C 110.657 -0.977 . . . . 0.0 110.657 -174.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.21 152.89 47.53 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 114.683 -0.758 . . . . 0.0 109.589 -178.03 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -82.23 102.62 11.26 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 172.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.459 ' O ' HG13 ' B' ' 36' ' ' ILE . 9.9 p -57.01 -35.38 47.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.227 0.537 . . . . 0.0 109.846 178.684 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . 0.75 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 0.9 OUTLIER -64.31 -50.24 77.37 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.615 0 CA-C-N 115.298 -0.865 . . . . 0.0 109.546 -179.356 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.661 ' HA ' HD11 ' B' ' 37' ' ' LEU . 6.3 tm-20 -65.81 -31.76 72.9 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 114.671 -1.15 . . . . 0.0 110.204 -174.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.51 -47.81 82.89 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.608 0.718 . . . . 0.0 109.96 173.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.511 ' O ' ' HG ' ' B' ' 40' ' ' LEU . 47.1 mt -67.08 -64.44 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.98 -179.148 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.75 ' HG ' ' O ' ' B' ' 33' ' ' VAL . 2.1 pp -66.34 -19.89 65.93 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 -167.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . 0.479 ' N ' HD12 ' B' ' 37' ' ' LEU . . . -88.53 -33.89 17.59 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 120.941 -0.304 . . . . 0.0 111.464 -179.691 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 -76.37 -29.85 57.33 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.024 -177.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' B' ' 36' ' ' ILE . 0.8 OUTLIER -107.11 80.58 1.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.663 0.744 . . . . 0.0 111.449 175.901 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 24.8 p-10 -88.9 38.15 0.87 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.977 0.894 . . . . 0.0 109.444 176.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -80.09 -25.2 40.12 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.342 -1.299 . . . . 0.0 109.684 177.629 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -127.09 123.71 23.58 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 115.219 -0.901 . . . . 0.0 109.778 178.603 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -79.25 101.29 1.41 Allowed 'Trans proline' 0 C--O 1.226 -0.107 0 C-N-CA 122.802 2.334 . . . . 0.0 111.349 175.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.595 ' HB3' ' HG3' ' B' ' 49' ' ' GLN . 0.0 OUTLIER -137.27 176.05 9.05 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.572 0.701 . . . . 0.0 111.81 -174.124 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 6.5 t -84.3 170.32 13.78 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 114.76 -1.109 . . . . 0.0 109.236 170.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . 0.494 ' NH1' HD13 ' B' ' 37' ' ' LEU . 24.9 mmt180 -72.41 -27.59 62.44 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 -179.216 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.04 -33.68 67.45 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 114.922 -1.035 . . . . 0.0 111.756 178.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.595 ' HG3' ' HB3' ' B' ' 45' ' ' ARG . 28.9 mm-40 -62.95 -49.2 75.69 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-O 121.432 0.634 . . . . 0.0 110.01 -177.596 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.614 HG13 ' HB3' ' B' ' 37' ' ' LEU . 7.8 mm -60.49 -55.09 26.7 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.899 0 CA-C-N 114.398 -1.274 . . . . 0.0 110.856 -172.653 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 64.1 mt -56.48 -48.36 80.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 114.752 -1.113 . . . . 0.0 110.578 -178.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -64.86 -51.29 62.86 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 115.059 -0.973 . . . . 0.0 111.99 -173.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' HIS . . . . . 0.468 ' HB2' HD21 ' B' ' 17' ' ' LEU . 7.7 m-70 -61.25 -24.55 66.46 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 120.811 0.338 . . . . 0.0 111.391 -176.033 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . 0.494 HD22 HD11 ' B' ' 59' ' ' LEU . 35.7 mt -83.78 -50.28 8.27 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.988 -177.606 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 19.6 m -69.6 -32.88 54.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 120.956 0.408 . . . . 0.0 110.412 179.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -70.63 -26.54 63.52 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.745 177.012 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 6.6 ttp -78.96 0.24 28.33 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.297 0.57 . . . . 0.0 110.71 179.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 73.4 13.49 79.88 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.916 -0.659 . . . . 0.0 113.045 173.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.494 HD11 HD22 ' B' ' 54' ' ' LEU . 4.4 pp -97.26 -21.36 17.31 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.236 0.541 . . . . 0.0 109.735 175.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -121.95 168.43 11.92 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.234 176.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -80.31 -67.75 0.74 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.263 -0.426 . . . . 0.0 112.088 -175.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 61.6 m -164.81 178.41 7.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.725 -170.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 54.3 t -57.81 -28.85 33.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 121.698 0.761 . . . . 0.0 109.385 171.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . 0.414 ' HA ' ' HB2' ' B' ' 68' ' ' ARG . 31.2 mtmm -61.81 -19.18 62.26 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 114.738 -1.119 . . . . 0.0 111.289 176.03 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -90.02 -20.91 22.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.949 0.404 . . . . 0.0 110.876 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' PHE . . . . . 0.404 ' HD1' HG22 ' B' ' 33' ' ' VAL . 15.9 m-85 -107.08 -47.59 3.66 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 -173.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -127.23 -33.32 2.4 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 -166.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' ARG . . . . . 0.414 ' HB2' ' HA ' ' B' ' 64' ' ' LYS . 97.7 mtt180 -98.53 105.38 17.51 Favored 'General case' 0 C--N 1.308 -1.222 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.549 -176.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -64.32 -13.88 52.77 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 176.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -74.24 72.86 1.37 Allowed Glycine 0 N--CA 1.443 -0.849 0 N-CA-C 111.274 -0.73 . . . . 0.0 111.274 173.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 4.3 p -52.62 149.74 5.72 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 176.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 65.4 t60 -59.0 -37.56 77.17 Favored 'General case' 0 CA--C 1.504 -0.793 0 CA-C-O 121.378 0.608 . . . . 0.0 109.759 -179.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . 0.525 HD13 ' HA ' ' B' ' 73' ' ' ILE . 3.7 mm -91.75 109.71 21.65 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.782 0 CA-C-O 122.921 1.343 . . . . 0.0 111.767 -176.331 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . 0.461 ' CG2' ' HD3' ' B' ' 113' ' ' ARG . 44.4 t -55.08 151.17 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.091 0 CA-C-N 111.828 -2.442 . . . . 0.0 108.798 168.543 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.17 80.29 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 121.547 0.689 . . . . 0.0 111.384 -179.254 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' TRP . . . . . 0.515 ' HA ' ' NE2' ' B' ' 80' ' ' GLN . 85.6 m95 -85.03 109.15 18.0 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.937 -175.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 17.9 p -104.85 172.34 6.84 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.262 173.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -53.73 -36.63 55.3 Favored Glycine 0 CA--C 1.518 0.223 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.456 -179.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . 0.609 ' O ' ' HG3' ' B' ' 83' ' ' GLU . 6.9 p-10 -72.66 -40.91 65.95 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.875 -0.163 . . . . 0.0 111.305 178.129 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' GLN . . . . . 0.515 ' NE2' ' HA ' ' B' ' 76' ' ' TRP . 0.1 OUTLIER -65.73 -39.4 91.1 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 120.926 0.393 . . . . 0.0 110.525 -178.388 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -64.64 -34.88 79.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.805 176.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -68.13 -41.8 81.13 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.609 179.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . 0.609 ' HG3' ' O ' ' B' ' 79' ' ' ASP . 67.2 mt-10 -53.47 -59.31 4.74 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-O 121.771 0.796 . . . . 0.0 110.666 179.114 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . 0.423 HD21 HG23 ' B' ' 114' ' ' ILE . 0.6 OUTLIER -72.04 -32.69 67.35 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 114.712 -1.131 . . . . 0.0 111.144 -171.758 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . 0.457 ' O ' ' HG3' ' B' ' 89' ' ' GLU . 0.0 OUTLIER -57.12 -49.81 74.76 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.771 0.319 . . . . 0.0 110.461 178.898 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 86' ' ' ARG . . . . . 0.434 ' N ' HE21 ' B' ' 85' ' ' GLN . 78.3 mtm180 -66.91 -47.69 70.97 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.246 -179.712 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 5.7 tp -62.5 -39.24 92.86 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.289 -174.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.476 ' O ' ' HB2' ' B' ' 92' ' ' ARG . 2.8 t80 -58.8 -44.93 90.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.065 178.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.457 ' HG3' ' O ' ' B' ' 85' ' ' GLN . 35.7 mt-10 -68.12 -31.04 70.35 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.253 0.549 . . . . 0.0 110.52 179.117 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -70.87 -35.2 72.26 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.302 -174.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -112.56 15.06 20.22 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.729 0.3 . . . . 0.0 111.05 -178.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 92' ' ' ARG . . . . . 0.476 ' HB2' ' O ' ' B' ' 88' ' ' PHE . 70.0 ttt180 -68.09 -31.75 71.59 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.524 -175.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -92.85 24.73 3.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.32 0.581 . . . . 0.0 110.618 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 9.6 t -103.28 -176.43 3.08 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 177.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -82.53 -20.64 36.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.947 0.403 . . . . 0.0 110.385 -178.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -152.76 108.66 3.34 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.669 173.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 97' ' ' VAL . . . . . 0.523 ' O ' HG13 ' B' ' 101' ' ' ILE . 2.5 p -75.69 -42.5 41.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.855 -0.612 . . . . 0.0 111.657 -176.177 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . 0.473 HD12 HG13 ' B' ' 97' ' ' VAL . 8.7 mp -76.57 -31.15 57.36 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -172.679 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -63.7 -32.29 83.65 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.485 -0.864 . . . . 0.0 111.515 174.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -82.63 -29.99 29.71 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 101' ' ' ILE . . . . . 0.523 HG13 ' O ' ' B' ' 97' ' ' VAL . 51.6 mt -59.39 -55.19 25.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.055 174.091 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 102' ' ' MET . . . . . 0.432 ' O ' ' HE2' ' B' ' 108' ' ' LYS . 38.7 mtt -55.22 -44.09 75.09 Favored 'General case' 0 C--N 1.331 -0.228 0 O-C-N 123.354 0.409 . . . . 0.0 112.077 -177.695 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -72.35 -24.13 61.24 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -177.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -112.46 18.61 18.31 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.05 0.453 . . . . 0.0 111.426 -175.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 105' ' ' ILE . . . . . 0.453 HG13 ' N ' ' B' ' 106' ' ' THR . 11.2 tp -118.72 162.2 17.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.289 0.566 . . . . 0.0 111.135 -179.264 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 106' ' ' THR . . . . . 0.453 ' N ' HG13 ' B' ' 105' ' ' ILE . 9.3 t -81.71 -35.78 29.41 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.493 -176.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . 0.486 ' HB3' ' NH1' ' B' ' 109' ' ' ARG . . . -110.61 128.33 55.63 Favored 'General case' 0 CA--C 1.514 -0.442 0 C-N-CA 121.202 -0.199 . . . . 0.0 110.493 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 108' ' ' LYS . . . . . 0.432 ' HE2' ' O ' ' B' ' 102' ' ' MET . 1.0 OUTLIER -83.19 101.78 11.44 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 175.33 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 109' ' ' ARG . . . . . 0.486 ' NH1' ' HB3' ' B' ' 107' ' ' ALA . 8.4 ptt-85 -118.46 144.02 46.29 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.14 -178.408 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 110' ' ' SER . . . . . 0.452 ' O ' HG13 ' B' ' 114' ' ' ILE . 34.2 t -64.62 148.43 50.92 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.221 -171.227 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -66.86 -38.55 86.56 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.398 -176.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -60.83 -29.62 69.6 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.46 0.648 . . . . 0.0 109.862 176.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . 0.461 ' HD3' ' CG2' ' B' ' 74' ' ' VAL . 33.5 mtt180 -77.39 -42.48 36.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.209 176.129 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 114' ' ' ILE . . . . . 0.452 HG13 ' O ' ' B' ' 110' ' ' SER . 92.3 mt -60.77 -55.04 27.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.487 -0.778 . . . . 0.0 111.124 -178.713 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 115' ' ' VAL . . . . . 0.63 ' O ' HD23 ' B' ' 119' ' ' LEU . 20.0 m -62.36 -35.1 67.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.641 -177.372 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -66.13 -35.11 79.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.263 0.554 . . . . 0.0 110.428 177.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.27 -39.62 78.29 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.361 177.183 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . 0.414 HD21 ' CD1' ' B' ' 88' ' ' PHE . 5.4 mp -54.21 -45.91 72.34 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 121.239 0.543 . . . . 0.0 110.785 175.628 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 119' ' ' LEU . . . . . 0.63 HD23 ' O ' ' B' ' 115' ' ' VAL . 4.1 mm? -64.24 -28.61 69.85 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.012 -0.994 . . . . 0.0 111.102 -179.776 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -84.29 -33.05 24.06 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.69 -177.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 96.0 mt -74.74 -24.75 58.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.268 176.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 82.39 34.0 24.14 Favored Glycine 0 N--CA 1.441 -0.987 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.464 -176.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . 0.408 HD12 ' HG ' ' B' ' 118' ' ' LEU . 87.0 mt -80.09 -28.17 39.13 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-O 121.548 0.69 . . . . 0.0 109.241 178.474 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 124' ' ' VAL . . . . . 0.525 HG21 ' CD2' ' B' ' 130' ' ' LEU . 19.2 m -145.96 174.14 2.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 114.516 -1.22 . . . . 0.0 109.215 178.3 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . 0.504 ' HB2' ' HB3' ' B' ' 140' ' ' SER . . . -110.05 -8.07 14.86 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 121.13 0.49 . . . . 0.0 110.406 177.692 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 126' ' ' GLU . . . . . 0.551 ' CD ' ' HB3' ' B' ' 128' ' ' ARG . 17.2 pt-20 -162.73 172.56 15.08 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.153 -178.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 127' ' ' ARG . . . . . 0.742 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 12.0 mpt_? -76.08 -22.33 55.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.748 0.309 . . . . 0.0 111.229 178.641 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 128' ' ' ARG . . . . . 0.551 ' HB3' ' CD ' ' B' ' 126' ' ' GLU . 26.7 ttt-85 -59.51 -33.95 72.0 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -179.304 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -71.91 -9.29 58.14 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -175.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 130' ' ' LEU . . . . . 0.742 ' HG ' ' O ' ' B' ' 127' ' ' ARG . 0.1 OUTLIER -111.42 8.08 21.08 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.063 0.459 . . . . 0.0 110.948 179.022 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 131' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -123.63 126.22 46.22 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 172.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 27.7 mmtp -51.66 107.0 0.16 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.715 0.769 . . . . 0.0 112.811 -173.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -123.08 166.67 14.76 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.371 -1.286 . . . . 0.0 108.199 172.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 134' ' ' ARG . . . . . . . . . . . . . 27.8 mmt180 -90.59 80.76 5.95 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 175.03 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -90.52 150.33 21.82 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.007 -176.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.5 177.31 5.21 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.293 -0.867 . . . . 0.0 108.902 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 137' ' ' LYS . . . . . 0.505 ' HG2' ' O ' ' B' ' 137' ' ' LYS . 0.0 OUTLIER -69.17 90.5 0.48 Allowed 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 122.334 1.064 . . . . 0.0 110.402 178.878 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 138' ' ' LEU . . . . . 0.553 HD23 ' N ' ' B' ' 139' ' ' ALA . 7.1 tt -137.49 151.53 48.55 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.239 -0.891 . . . . 0.0 109.137 -176.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 139' ' ' ALA . . . . . 0.553 ' N ' HD23 ' B' ' 138' ' ' LEU . . . -72.15 -156.12 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.609 0.242 . . . . 0.0 110.848 178.598 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 140' ' ' SER . . . . . 0.504 ' HB3' ' HB2' ' B' ' 125' ' ' ALA . 60.9 m -60.03 114.71 2.98 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 175.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 141' ' ' SER . . . . . . . . . . . . . 58.9 m . . . . . 0 C--O 1.253 1.272 0 CA-C-O 118.363 -0.827 . . . . 0.0 110.878 -178.089 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 7.3 t70 . . . . . 0 N--CA 1.48 1.068 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -69.92 -46.58 1.11 Allowed 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.816 2.344 . . . . 0.0 113.773 -172.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 38.2 t -147.7 -54.98 0.22 Allowed 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 -178.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' B' ' 4' ' ' ARG . 51.0 mtt180 -138.8 -175.79 4.26 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.92 -1.037 . . . . 0.0 108.512 172.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -64.27 115.78 5.38 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 176.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.38 145.3 82.23 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.114 0.483 . . . . 0.0 111.149 -177.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -79.68 167.67 20.4 Favored 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 122.982 2.455 . . . . 0.0 113.075 -175.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -80.57 148.65 30.25 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.87 177.451 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' TRP . . . . . 0.497 ' CH2' HD13 ' B' ' 17' ' ' LEU . 52.4 m95 -77.35 135.78 38.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.156 0.503 . . . . 0.0 111.874 -174.227 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . 0.543 ' OG ' ' HB2' ' B' ' 13' ' ' GLU . 16.3 p -87.24 160.97 47.57 Favored Pre-proline 0 C--N 1.32 -0.698 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.645 173.69 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_exo -53.46 -39.94 80.29 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.778 2.319 . . . . 0.0 112.802 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -76.38 -15.71 59.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.019 -179.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.543 ' HB2' ' OG ' ' B' ' 10' ' ' SER . 24.2 tt0 -84.85 -49.71 8.17 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.074 -175.706 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . 0.485 ' O ' ' HB3' ' B' ' 17' ' ' LEU . 45.7 mt-10 -58.83 -37.21 75.93 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.371 177.451 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . 0.408 ' O ' ' HB2' ' B' ' 19' ' ' GLU . . . -68.13 -40.64 82.43 Favored 'General case' 0 C--O 1.216 -0.687 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.899 178.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.444 ' HA ' ' HB3' ' B' ' 19' ' ' GLU . 5.8 t-160 -64.98 -31.59 72.91 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 178.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.497 HD13 ' CH2' ' B' ' 9' ' ' TRP . 30.7 tp -57.26 -56.13 25.79 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.005 177.03 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . 0.764 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 12.4 ptt180 -74.02 -31.14 62.79 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.93 178.51 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . 0.444 ' HB3' ' HA ' ' B' ' 16' ' ' HIS . 12.2 tp10 -51.37 -48.94 62.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.687 0.756 . . . . 0.0 110.207 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.576 HD13 ' HA ' ' B' ' 36' ' ' ILE . 0.7 OUTLIER -75.08 -28.38 60.28 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.706 -1.134 . . . . 0.0 111.274 -178.434 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -69.73 -50.13 46.47 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.133 0.492 . . . . 0.0 109.873 178.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.764 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 34.7 mt -64.33 -23.46 67.3 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.66 -176.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.07 -35.46 56.59 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.923 178.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -116.95 13.41 14.9 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -171.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.426 ' HD2' ' HA ' ' B' ' 22' ' ' LEU . 21.8 ptmt -73.01 -13.74 61.29 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.812 0.339 . . . . 0.0 111.496 -178.274 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -118.38 9.02 12.29 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.037 0.446 . . . . 0.0 110.302 178.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 63.0 t -100.08 108.72 23.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.452 -178.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -99.1 157.59 16.25 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.124 178.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.07 -0.79 69.55 Favored Glycine 0 N--CA 1.451 -0.339 0 N-CA-C 110.29 -1.124 . . . . 0.0 110.29 -172.091 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . 0.563 ' NE2' ' HB2' ' B' ' 35' ' ' ALA . 6.7 tt0 -147.04 143.94 28.74 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.075 -1.063 . . . . 0.0 108.294 177.662 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -75.3 126.63 31.42 Favored 'General case' 0 C--N 1.317 -0.809 0 C-N-CA 120.335 -0.546 . . . . 0.0 109.8 174.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.52 ' O ' HG13 ' B' ' 36' ' ' ILE . 9.8 p -60.48 -36.59 70.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 173.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . 0.8 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 1.6 t -58.81 -59.59 3.52 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 CA-C-N 115.262 -0.881 . . . . 0.0 109.768 177.347 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -54.54 -38.28 66.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.261 -0.882 . . . . 0.0 110.912 -177.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . 0.563 ' HB2' ' NE2' ' B' ' 30' ' ' GLN . . . -58.01 -49.79 75.63 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.151 0.501 . . . . 0.0 110.459 177.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.576 ' HA ' HD13 ' B' ' 20' ' ' LEU . 39.6 mt -67.42 -53.75 29.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.588 -179.511 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.8 ' HG ' ' O ' ' B' ' 33' ' ' VAL . 14.8 mt -51.4 -40.53 59.46 Favored 'General case' 0 N--CA 1.468 0.442 0 O-C-N 123.624 0.578 . . . . 0.0 111.2 -176.201 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -89.38 -44.69 10.02 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 113.45 0.907 . . . . 0.0 113.45 -171.118 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' HIS . . . . . 0.523 ' HB2' HD11 ' B' ' 20' ' ' LEU . 84.9 m-70 -75.66 -11.48 60.01 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.581 0.585 . . . . 0.0 112.581 -168.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.569 ' HG ' ' O ' ' B' ' 36' ' ' ILE . 0.8 OUTLIER -104.16 80.64 1.74 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 122.081 0.943 . . . . 0.0 110.183 169.651 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 28.5 p-10 -83.0 42.04 0.78 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.241 -0.891 . . . . 0.0 110.323 -178.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 11.9 t -104.41 1.2 29.85 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.512 -177.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . 0.829 HG21 ' CZ ' ' B' ' 45' ' ' ARG . 7.2 p -157.22 129.96 4.34 Favored Pre-proline 0 N--CA 1.449 -0.477 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 -171.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -85.78 89.85 0.74 Allowed 'Trans proline' 0 N--CA 1.454 -0.809 0 C-N-CA 122.816 2.344 . . . . 0.0 111.446 166.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.829 ' CZ ' HG21 ' B' ' 43' ' ' VAL . 0.6 OUTLIER -132.22 160.63 35.59 Favored 'General case' 0 CA--C 1.512 -0.504 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 177.39 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 5.1 t -69.4 148.84 49.07 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 177.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . 0.457 ' HD2' ' HB3' ' B' ' 37' ' ' LEU . 13.4 mmt180 -61.37 -24.93 66.82 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.334 0.588 . . . . 0.0 110.415 -176.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -59.88 -33.63 72.08 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.792 -1.095 . . . . 0.0 111.421 179.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -64.79 -49.81 69.23 Favored 'General case' 0 CA--C 1.52 -0.191 0 C-N-CA 121.025 -0.27 . . . . 0.0 111.039 -177.146 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 2.0 mp -53.33 -52.84 27.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 O-C-N 123.313 0.383 . . . . 0.0 110.867 -178.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.5 HG23 ' CG ' ' B' ' 66' ' ' PHE . 82.6 mt -54.91 -49.62 68.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.378 0.609 . . . . 0.0 111.124 179.267 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' HIS . . . . . 0.403 ' HB3' ' NE2' ' B' ' 56' ' ' GLN . 2.3 m-70 -60.3 -43.81 95.98 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.96 -176.603 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' HIS . . . . . 0.443 ' HB2' HD21 ' B' ' 17' ' ' LEU . 51.1 m-70 -72.0 -25.09 61.69 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.904 -0.318 . . . . 0.0 111.362 -175.275 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . 0.506 HD11 HD13 ' B' ' 36' ' ' ILE . 51.1 mt -71.46 -52.64 17.34 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.946 0.879 . . . . 0.0 110.016 176.363 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . 0.52 ' HA ' ' HB3' ' B' ' 60' ' ' ALA . 2.4 t -65.44 -35.04 74.36 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.214 0 CA-C-N 114.275 -1.33 . . . . 0.0 110.562 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' GLN . . . . . 0.403 ' NE2' ' HB3' ' B' ' 52' ' ' HIS . 22.9 mt-30 -73.16 -19.3 61.15 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.685 177.546 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.524 ' SD ' ' HD3' ' B' ' 18' ' ' ARG . 31.5 ttm -88.0 -1.53 58.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.078 0.466 . . . . 0.0 110.609 -178.037 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 85.11 -2.91 88.0 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 121.043 -0.599 . . . . 0.0 112.798 177.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.444 HD11 ' CD2' ' B' ' 54' ' ' LEU . 4.3 pp -89.8 -10.61 44.81 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.391 0.615 . . . . 0.0 110.213 -179.595 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . 0.52 ' HB3' ' HA ' ' B' ' 55' ' ' VAL . . . -134.02 154.6 51.03 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.313 174.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -82.34 -57.0 3.56 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -174.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 21.2 t -163.71 167.41 21.07 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.781 0.324 . . . . 0.0 110.738 -176.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 61.7 t -64.56 -17.08 20.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.566 175.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . 0.622 ' HA ' ' O ' ' B' ' 68' ' ' ARG . 12.0 pttm -54.69 -36.29 64.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 122.109 0.957 . . . . 0.0 110.677 177.19 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -86.59 -16.56 36.41 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 113.804 -1.544 . . . . 0.0 110.182 -172.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' PHE . . . . . 0.5 ' CG ' HG23 ' B' ' 51' ' ' ILE . 37.8 m-85 -99.65 -48.11 4.85 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.811 -178.305 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -137.15 -80.05 0.38 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.092 0.472 . . . . 0.0 112.148 -172.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' ARG . . . . . 0.622 ' O ' ' HA ' ' B' ' 64' ' ' LYS . 75.6 mtp180 -107.08 130.22 54.71 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.466 -173.088 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . 0.493 ' HA ' ' HA ' ' B' ' 64' ' ' LYS . 14.8 pttm -67.71 95.44 0.5 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.667 0.746 . . . . 0.0 112.092 -177.398 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -127.63 129.28 6.36 Favored Glycine 0 N--CA 1.442 -0.954 0 CA-C-N 114.776 -1.102 . . . . 0.0 110.724 172.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 13.1 p -82.39 121.76 27.13 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.802 0.334 . . . . 0.0 111.243 -179.006 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . 0.549 ' CG ' ' N ' ' B' ' 73' ' ' ILE . 6.8 p80 -63.29 -100.75 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 106.705 -1.591 . . . . 0.0 106.705 168.216 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . 0.64 HD12 ' CD1' ' B' ' 76' ' ' TRP . 0.3 OUTLIER -179.94 148.83 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.745 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 139.247 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . 0.495 ' O ' HG23 ' B' ' 73' ' ' ILE . 0.2 OUTLIER -76.28 124.83 35.25 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.976 0 N-CA-C 107.899 -1.149 . . . . 0.0 107.899 166.576 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.48 ' O ' ' HG ' ' B' ' 75' ' ' LEU . 0.6 OUTLIER -48.22 102.78 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.615 0.721 . . . . 0.0 112.047 -171.072 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' TRP . . . . . 0.64 ' CD1' HD12 ' B' ' 73' ' ' ILE . 60.1 m95 -97.42 115.74 28.31 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.486 -176.542 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 43.4 p -102.53 172.43 6.87 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.32 -0.855 . . . . 0.0 108.999 171.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -64.11 -30.93 79.16 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.486 -0.864 . . . . 0.0 111.6 176.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -76.1 -46.2 30.13 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.775 -0.212 . . . . 0.0 111.127 -178.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -68.45 -25.14 64.86 Favored 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 120.347 -0.541 . . . . 0.0 109.614 178.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -61.34 -47.55 85.37 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.64 174.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 24.7 tp -64.4 -41.04 96.86 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.511 177.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.64 -55.71 23.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.243 177.215 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . 0.426 HD23 ' NH2' ' B' ' 109' ' ' ARG . 3.1 tm? -62.68 -39.36 93.71 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.07 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -57.77 -55.52 33.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.809 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 23.2 mtp180 -66.39 -45.81 78.77 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.688 0.28 . . . . 0.0 111.613 -179.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 8.3 tp -60.04 -44.18 94.83 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.622 -175.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.621 ' O ' ' HG3' ' B' ' 92' ' ' ARG . 6.6 t80 -52.25 -51.15 60.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.019 177.368 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -60.88 -46.29 91.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.052 0.453 . . . . 0.0 111.191 -179.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -70.89 -19.96 62.55 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.419 -171.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -107.1 6.47 28.91 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 177.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 92' ' ' ARG . . . . . 0.621 ' HG3' ' O ' ' B' ' 88' ' ' PHE . 53.0 mtm180 -68.04 -19.05 64.85 Favored 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 169.493 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -80.97 -1.26 43.02 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 113.723 -1.581 . . . . 0.0 110.647 -178.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 27.2 m -104.85 -175.56 2.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.793 -179.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -81.35 -21.35 39.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.078 0.466 . . . . 0.0 111.119 -178.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -154.01 108.33 3.04 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 175.045 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 97' ' ' VAL . . . . . 0.68 ' O ' HG13 ' B' ' 101' ' ' ILE . 1.3 p -62.72 -43.33 98.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.23 -177.235 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . 0.587 HD12 HG13 ' B' ' 97' ' ' VAL . 8.4 mp -76.93 -36.86 56.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.633 0.254 . . . . 0.0 111.202 -176.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 99' ' ' GLY . . . . . 0.625 ' O ' ' HD3' ' B' ' 103' ' ' LYS . . . -61.47 -33.07 83.41 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.743 -0.741 . . . . 0.0 111.296 175.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -84.78 -26.31 27.62 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 178.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 101' ' ' ILE . . . . . 0.68 HG13 ' O ' ' B' ' 97' ' ' VAL . 39.7 mt -58.76 -55.07 25.47 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.303 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 172.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 102' ' ' MET . . . . . 0.402 ' CE ' ' HA ' ' B' ' 110' ' ' SER . 26.5 mtt -56.68 -50.3 72.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.107 -0.497 . . . . 0.0 112.134 -177.333 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 103' ' ' LYS . . . . . 0.625 ' HD3' ' O ' ' B' ' 99' ' ' GLY . 0.8 OUTLIER -70.07 -18.76 63.29 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.629 -173.9 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 46.9 m-80 -117.48 15.64 14.68 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.884 -179.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 105' ' ' ILE . . . . . 0.604 HG13 ' H ' ' B' ' 107' ' ' ALA . 9.0 tp -110.45 159.29 10.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.423 0.63 . . . . 0.0 111.539 -177.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 2.0 t -94.24 -19.18 20.96 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.859 -1.064 . . . . 0.0 110.346 -179.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . 0.604 ' H ' HG13 ' B' ' 105' ' ' ILE . . . -92.24 144.52 25.32 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.719 -176.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 108' ' ' LYS . . . . . 0.441 ' HA ' ' HE2' ' B' ' 108' ' ' LYS . 7.5 mmpt? -80.12 100.79 8.4 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 169.05 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 109' ' ' ARG . . . . . 0.426 ' NH2' HD23 ' B' ' 84' ' ' LEU . 5.4 ttp180 -130.83 121.25 24.97 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.597 -0.728 . . . . 0.0 109.69 -173.031 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 110' ' ' SER . . . . . 0.41 ' H ' ' NE ' ' B' ' 113' ' ' ARG . 99.1 p -94.22 164.53 13.01 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.371 -176.558 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 111' ' ' ARG . . . . . 0.486 ' O ' HG13 ' B' ' 115' ' ' VAL . 21.8 mmm-85 -56.54 -48.99 76.1 Favored 'General case' 0 N--CA 1.464 0.23 0 O-C-N 123.333 0.395 . . . . 0.0 111.471 -172.186 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -58.93 -36.88 75.49 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 -174.138 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . 0.494 HH11 ' HB ' ' B' ' 74' ' ' VAL . 11.0 ptt180 -86.87 -20.19 27.81 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.488 -0.485 . . . . 0.0 111.559 -177.163 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 88.4 mt -74.62 -45.41 45.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.07 0.462 . . . . 0.0 109.982 174.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 115' ' ' VAL . . . . . 0.591 ' O ' HD23 ' B' ' 119' ' ' LEU . 15.0 m -66.64 -34.54 70.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.799 -178.014 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -66.85 -31.08 71.46 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.231 -0.441 . . . . 0.0 109.921 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 53.6 tptt -70.48 -40.98 73.32 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.88 177.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . 0.403 HD12 HD13 ' B' ' 130' ' ' LEU . 21.1 mt -57.23 -48.59 78.43 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-O 121.35 0.595 . . . . 0.0 110.477 178.262 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 119' ' ' LEU . . . . . 0.591 HD23 ' O ' ' B' ' 115' ' ' VAL . 4.4 mm? -61.33 -30.87 70.77 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.684 -1.144 . . . . 0.0 110.839 -178.615 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -72.31 -39.53 68.17 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.76 -179.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 10.2 mp -75.5 -25.28 57.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.946 175.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 84.42 31.65 24.41 Favored Glycine 0 N--CA 1.444 -0.797 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.438 -174.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . 0.5 HD13 ' CD2' ' B' ' 88' ' ' PHE . 92.9 mt -76.72 -28.82 55.97 Favored 'General case' 0 CA--C 1.512 -0.493 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 179.588 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 124' ' ' VAL . . . . . 0.62 HG21 ' CD2' ' B' ' 130' ' ' LEU . 20.3 m -144.16 171.89 6.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 114.373 -1.285 . . . . 0.0 109.704 175.147 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -112.78 -11.06 13.54 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.938 179.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 126' ' ' GLU . . . . . 0.416 ' O ' HD21 ' B' ' 130' ' ' LEU . 11.6 pt-20 -153.9 167.03 31.09 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.159 -179.468 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 127' ' ' ARG . . . . . 0.734 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 1.2 mpp_? -80.02 -26.52 39.78 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -175.504 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 128' ' ' ARG . . . . . . . . . . . . . 15.1 ttp180 -60.47 -38.95 85.84 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 -176.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 129' ' ' GLU . . . . . 0.51 ' OE2' ' HA ' ' B' ' 140' ' ' SER . 56.8 mm-40 -70.74 -7.27 43.65 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 -170.613 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 130' ' ' LEU . . . . . 0.734 ' HG ' ' O ' ' B' ' 127' ' ' ARG . 0.0 OUTLIER -104.49 16.11 26.77 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.158 0.504 . . . . 0.0 110.642 177.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 131' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -122.43 118.9 29.46 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 173.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -76.41 97.54 4.3 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.917 0.389 . . . . 0.0 110.53 -178.424 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -137.38 170.84 15.4 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.979 -179.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 134' ' ' ARG . . . . . . . . . . . . . 23.6 mmt180 -80.91 86.8 6.0 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.461 -0.941 . . . . 0.0 108.461 173.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -112.4 143.8 42.91 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.18 -172.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.3 94.97 5.51 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.913 0.864 . . . . 0.0 108.856 175.764 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 52.5 tptt -148.42 151.47 35.31 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 114.473 -1.24 . . . . 0.0 109.388 -172.086 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 138' ' ' LEU . . . . . 0.518 ' HG ' ' N ' ' B' ' 139' ' ' ALA . 14.0 tp -45.86 163.34 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 123.616 0.572 . . . . 0.0 109.802 165.663 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 139' ' ' ALA . . . . . 0.518 ' N ' ' HG ' ' B' ' 138' ' ' LEU . . . -59.82 144.35 48.75 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 -179.257 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 140' ' ' SER . . . . . 0.51 ' HA ' ' OE2' ' B' ' 129' ' ' GLU . 73.7 m -47.49 116.27 1.38 Allowed 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.792 0.806 . . . . 0.0 112.946 -166.225 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 141' ' ' SER . . . . . . . . . . . . . 10.3 t . . . . . 0 C--O 1.246 0.877 0 CA-C-N 114.516 -1.22 . . . . 0.0 109.784 -176.143 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 19.5 t70 . . . . . 0 N--CA 1.479 0.986 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -78.31 -29.25 4.06 Favored 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.561 2.174 . . . . 0.0 112.201 178.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 15.0 p -87.07 45.35 1.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.652 -175.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -86.03 -165.92 1.39 Allowed 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.84 -178.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -46.56 118.3 1.94 Allowed 'General case' 0 C--O 1.234 0.243 0 O-C-N 123.387 0.43 . . . . 0.0 110.185 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.424 ' HA ' ' HD3' ' B' ' 7' ' ' PRO . . . -51.35 130.28 33.28 Favored Pre-proline 0 C--N 1.332 -0.171 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.224 -176.623 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' B' ' 6' ' ' ALA . 37.8 Cg_exo -62.65 174.92 2.53 Favored 'Trans proline' 0 CA--C 1.528 0.195 0 C-N-CA 123.014 2.476 . . . . 0.0 112.837 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.19 158.04 15.63 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.955 174.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' TRP . . . . . 0.427 ' CH2' HD13 ' B' ' 17' ' ' LEU . 93.1 m95 -92.14 166.0 12.86 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.24 0.543 . . . . 0.0 110.756 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 34.8 p -138.74 151.42 68.57 Favored Pre-proline 0 C--N 1.317 -0.809 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 175.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -42.02 -42.7 7.07 Favored 'Trans proline' 0 CA--C 1.531 0.369 0 C-N-CA 123.388 2.726 . . . . 0.0 113.471 178.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' B' ' 13' ' ' GLU . 8.8 pt-20 -66.35 -41.89 88.86 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.277 -179.728 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.409 ' N ' ' HG3' ' B' ' 12' ' ' GLU . 8.9 tp10 -77.45 -31.78 54.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.801 0.334 . . . . 0.0 110.589 -176.251 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -67.48 -37.4 82.84 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.021 0.438 . . . . 0.0 110.004 176.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.28 -28.88 69.64 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.033 174.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.51 ' HA ' ' CB ' ' B' ' 19' ' ' GLU . 11.9 t-160 -77.99 -29.36 49.58 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.387 177.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.49 HD11 HG23 ' B' ' 50' ' ' ILE . 38.9 tp -63.22 -47.67 81.53 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 176.4 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . 0.756 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 13.4 ptt180 -77.79 -24.86 48.74 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.698 176.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . 0.51 ' CB ' ' HA ' ' B' ' 16' ' ' HIS . 10.2 tp10 -52.45 -53.09 50.11 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.664 0.745 . . . . 0.0 109.98 177.678 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.453 HD13 ' HA ' ' B' ' 36' ' ' ILE . 0.3 OUTLIER -71.73 -29.0 64.06 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.965 -1.016 . . . . 0.0 111.044 -178.933 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' TYR . . . . . 0.413 ' CD2' HD13 ' B' ' 59' ' ' LEU . 90.7 t80 -67.6 -54.25 21.33 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-O 121.292 0.568 . . . . 0.0 109.559 178.379 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.756 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 39.4 mt -62.17 -24.52 67.23 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.067 -0.969 . . . . 0.0 110.854 -177.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.19 -27.63 42.61 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -178.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 49.4 m-80 -124.0 12.13 8.99 Favored 'General case' 0 N--CA 1.461 0.121 0 N-CA-C 112.289 0.477 . . . . 0.0 112.289 -175.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 13.3 ptmm? -79.16 -14.51 59.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.022 0.439 . . . . 0.0 110.838 -179.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -99.52 6.69 45.8 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.542 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 42.6 t -102.56 107.65 22.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -80.7 142.65 33.68 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.324 -178.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.88 21.51 63.27 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.714 -0.755 . . . . 0.0 111.856 -178.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . 0.541 ' OE1' ' HB2' ' B' ' 35' ' ' ALA . 0.9 OUTLIER -138.48 132.04 30.63 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 178.026 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -73.02 95.12 1.97 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.213 178.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.495 ' O ' HG13 ' B' ' 36' ' ' ILE . 9.4 p -56.69 -30.84 33.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 109.452 -0.574 . . . . 0.0 109.452 177.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . 0.665 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 3.3 t -54.37 -59.43 2.17 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 CA-C-N 115.087 -0.961 . . . . 0.0 109.952 177.168 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.534 ' HA ' ' CD1' ' B' ' 37' ' ' LEU . 45.1 mt-10 -72.46 -27.51 62.35 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.695 -178.587 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . 0.541 ' HB2' ' OE1' ' B' ' 30' ' ' GLN . . . -53.82 -45.43 70.84 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.42 0.629 . . . . 0.0 109.384 173.014 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.571 ' O ' ' HG ' ' B' ' 40' ' ' LEU . 48.5 mt -73.2 -64.96 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.794 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.863 -178.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.665 ' HG ' ' O ' ' B' ' 33' ' ' VAL . 3.0 pp -65.5 -20.32 66.3 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 -169.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . 0.47 ' HB3' ' O ' ' B' ' 34' ' ' GLU . . . -89.77 -27.48 19.99 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 178.531 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 19.4 m-70 -87.48 -29.69 21.2 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.393 -0.523 . . . . 0.0 112.214 -176.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.571 ' HG ' ' O ' ' B' ' 36' ' ' ILE . 0.6 OUTLIER -97.35 87.83 4.25 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 119.731 -0.788 . . . . 0.0 111.845 179.301 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -83.96 40.39 0.75 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.899 0.856 . . . . 0.0 109.187 178.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . 0.526 HG22 ' HB2' ' B' ' 40' ' ' LEU . 4.7 t -97.64 -12.57 22.28 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.315 177.508 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . 0.4 ' HB ' ' HG3' ' B' ' 45' ' ' ARG . 4.1 m -144.13 112.7 5.23 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.262 -177.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -71.07 94.69 0.65 Allowed 'Trans proline' 0 C--O 1.233 0.273 0 C-N-CA 122.285 1.99 . . . . 0.0 111.082 173.194 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.4 ' HG3' ' HB ' ' B' ' 43' ' ' VAL . 91.3 mtt-85 -133.96 177.57 7.63 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-O 121.165 0.507 . . . . 0.0 112.262 -171.763 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 12.6 t -108.29 166.53 10.69 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.345 -178.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . 0.406 ' HA ' HD22 ' B' ' 37' ' ' LEU . 9.9 mpt_? -54.95 -54.53 41.64 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 120.773 0.321 . . . . 0.0 111.372 -177.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 24.8 ttpt -51.17 -32.52 23.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.694 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -69.34 -54.87 12.36 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.801 -172.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.49 HG23 HD11 ' B' ' 17' ' ' LEU . 1.7 mp -59.82 -48.98 85.58 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 CA-C-O 120.603 0.239 . . . . 0.0 110.412 178.706 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.503 HG23 ' CG ' ' B' ' 66' ' ' PHE . 78.6 mt -52.96 -48.17 52.18 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.142 -178.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -59.33 -43.13 92.75 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.321 -0.854 . . . . 0.0 112.537 -174.176 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' HIS . . . . . 0.528 ' O ' ' HB2' ' B' ' 57' ' ' MET . 9.6 m-70 -73.12 -23.05 60.45 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.985 0.421 . . . . 0.0 110.88 -174.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . 0.471 ' HB3' HD11 ' B' ' 59' ' ' LEU . 48.5 mt -76.89 -50.59 12.98 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.559 -178.241 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . 0.488 ' HA ' ' HB3' ' B' ' 60' ' ' ALA . 10.7 m -68.49 -26.77 34.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.159 0.504 . . . . 0.0 110.301 179.193 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -79.85 -17.29 53.61 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.962 176.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.528 ' HB2' ' O ' ' B' ' 53' ' ' HIS . 26.2 ttm -87.24 -2.83 58.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.114 0.483 . . . . 0.0 110.728 -179.478 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 85.13 -2.39 88.26 Favored Glycine 0 CA--C 1.511 -0.197 0 C-N-CA 121.06 -0.59 . . . . 0.0 112.517 174.302 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.471 HD11 ' HB3' ' B' ' 54' ' ' LEU . 3.5 pp -85.23 -15.34 43.86 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.07 0.462 . . . . 0.0 110.57 -179.375 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . 0.488 ' HB3' ' HA ' ' B' ' 55' ' ' VAL . . . -127.19 167.41 16.1 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.019 173.41 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -81.94 -65.84 0.96 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.899 0.38 . . . . 0.0 110.477 177.03 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . 0.491 ' OG ' ' HB2' ' B' ' 72' ' ' HIS . 41.5 m -148.71 170.95 17.03 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.433 -174.232 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' VAL . . . . . 0.477 HG13 HG21 ' B' ' 51' ' ' ILE . 78.4 t -60.39 -25.53 34.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.549 176.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . 0.418 ' HD3' ' HB3' ' B' ' 72' ' ' HIS . 18.3 pttm -53.13 -37.68 62.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.635 -0.712 . . . . 0.0 111.497 -179.47 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -66.38 -24.22 66.45 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.077 -0.965 . . . . 0.0 111.507 -178.08 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' PHE . . . . . 0.536 ' CD1' HG22 ' B' ' 33' ' ' VAL . 2.2 m-85 -100.3 -48.56 4.55 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.515 0.674 . . . . 0.0 109.803 178.608 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -150.23 100.23 2.88 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.611 -1.177 . . . . 0.0 109.805 -176.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 41.8 ttt180 -70.17 83.67 0.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.391 0.615 . . . . 0.0 111.125 177.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -112.63 -49.61 2.94 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 170.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -108.61 114.1 3.98 Favored Glycine 0 N--CA 1.444 -0.783 0 N-CA-C 110.401 -1.08 . . . . 0.0 110.401 171.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 3.8 p -77.64 134.39 38.19 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -175.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . 0.491 ' HB2' ' OG ' ' B' ' 62' ' ' SER . 2.9 t60 -58.51 119.73 7.55 Favored 'General case' 0 N--CA 1.441 -0.897 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 164.342 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -130.77 120.97 49.12 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.337 0 CA-C-O 121.708 0.766 . . . . 0.0 111.526 -178.532 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 29.5 m -71.08 145.57 12.51 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.0 0 CA-C-N 114.251 -1.34 . . . . 0.0 107.896 171.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.92 88.58 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 113.018 0.747 . . . . 0.0 113.018 -171.192 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' TRP . . . . . 0.585 ' CZ3' ' HG2' ' B' ' 80' ' ' GLN . 52.5 m95 -85.55 108.79 18.11 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.349 0.595 . . . . 0.0 111.086 -177.626 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 53.1 p -114.71 177.12 4.76 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.32 175.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -61.39 -31.6 77.96 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.499 -0.858 . . . . 0.0 111.303 173.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -70.56 -53.99 13.88 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.66 -0.27 . . . . 0.0 110.307 178.015 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' GLN . . . . . 0.592 ' HG3' ' NH2' ' B' ' 109' ' ' ARG . 29.0 tt0 -66.85 -32.57 73.94 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.148 -176.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -60.04 -41.28 91.93 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 176.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.508 ' O ' ' HG3' ' B' ' 86' ' ' ARG . 25.1 tp -67.78 -43.27 80.15 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.433 176.569 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -51.43 -47.78 62.9 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.047 0.451 . . . . 0.0 110.471 178.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . 0.42 HD11 HG23 ' B' ' 114' ' ' ILE . 50.0 tp -59.93 -52.47 65.27 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.561 178.671 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . 0.455 ' O ' ' HG3' ' B' ' 89' ' ' GLU . 28.9 tt0 -56.96 -50.62 72.08 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 123.767 0.667 . . . . 0.0 111.693 -175.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 86' ' ' ARG . . . . . 0.508 ' HG3' ' O ' ' B' ' 82' ' ' LEU . 76.5 mtp180 -55.56 -53.05 61.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.467 -177.349 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . 0.433 HD21 HD22 ' B' ' 104' ' ' ASN . 9.6 mp -63.8 -39.46 94.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.771 0.32 . . . . 0.0 110.879 179.261 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.625 ' O ' ' HB2' ' B' ' 92' ' ' ARG . 11.9 t80 -54.45 -48.34 71.85 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.774 176.371 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.455 ' HG3' ' O ' ' B' ' 85' ' ' GLN . 48.2 mt-10 -66.04 -39.72 90.39 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.25 0.547 . . . . 0.0 110.996 179.078 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -71.79 -35.62 70.06 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.749 -0.659 . . . . 0.0 112.473 -170.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -112.3 18.04 18.91 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.922 0.391 . . . . 0.0 111.03 -177.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 92' ' ' ARG . . . . . 0.625 ' HB2' ' O ' ' B' ' 88' ' ' PHE . 45.8 ttp180 -68.92 -33.52 73.87 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.654 -174.45 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -77.18 18.37 0.39 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.462 -0.79 . . . . 0.0 112.264 -177.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 89.2 p -104.59 177.88 4.72 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 176.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -74.1 -27.64 60.97 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.17 0.51 . . . . 0.0 110.321 -179.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -143.32 101.07 3.74 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.853 179.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 97' ' ' VAL . . . . . 0.483 ' O ' HG13 ' B' ' 101' ' ' ILE . 7.8 p -75.14 -34.44 31.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.475 -176.773 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . 0.426 ' O ' ' HG2' ' B' ' 102' ' ' MET . 5.9 mp -65.88 -38.02 87.67 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.543 0.571 . . . . 0.0 112.543 -172.469 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -60.74 -34.52 87.06 Favored Glycine 0 C--O 1.226 -0.399 0 C-N-CA 120.727 -0.749 . . . . 0.0 111.852 179.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -75.28 -25.87 58.31 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.938 0.399 . . . . 0.0 109.96 179.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 101' ' ' ILE . . . . . 0.483 HG13 ' O ' ' B' ' 97' ' ' VAL . 71.7 mt -69.91 -64.46 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.774 178.674 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 102' ' ' MET . . . . . 0.426 ' HG2' ' O ' ' B' ' 98' ' ' LEU . 5.9 ptp -63.89 -21.57 66.52 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.103 -0.499 . . . . 0.0 112.183 -174.213 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 5.9 mptp? -86.07 -33.27 21.01 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 104' ' ' ASN . . . . . 0.433 HD22 HD21 ' B' ' 87' ' ' LEU . 8.5 t30 -93.23 -19.5 21.35 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.607 -175.436 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 105' ' ' ILE . . . . . 0.548 HG12 ' NH2' ' B' ' 109' ' ' ARG . 11.1 tp -91.17 152.08 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.179 0.514 . . . . 0.0 110.829 -179.083 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 7.1 t -72.31 -31.04 65.34 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.196 -0.911 . . . . 0.0 111.567 -175.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . 0.417 ' O ' HG23 ' B' ' 105' ' ' ILE . . . -86.93 127.52 35.06 Favored 'General case' 0 CA--C 1.515 -0.37 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.052 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 108' ' ' LYS . . . . . 0.43 ' HA ' ' HE2' ' B' ' 108' ' ' LYS . 11.1 mmpt? -82.15 100.74 10.0 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.483 0.659 . . . . 0.0 109.311 178.728 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 109' ' ' ARG . . . . . 0.592 ' NH2' ' HG3' ' B' ' 80' ' ' GLN . 33.9 mtt180 -110.84 132.4 54.23 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.223 -0.899 . . . . 0.0 108.79 -178.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 32.6 t -85.59 167.09 15.69 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.967 -174.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 111' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' B' ' 111' ' ' ARG . 10.1 mmt180 -57.71 -53.58 56.62 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 -173.162 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.03 -26.44 64.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.124 0.488 . . . . 0.0 111.335 -178.022 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . 0.543 ' HD2' ' HE1' ' B' ' 76' ' ' TRP . 6.6 tpp180 -85.88 -35.63 20.46 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.913 -177.651 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 114' ' ' ILE . . . . . 0.42 HG23 HD11 ' B' ' 84' ' ' LEU . 86.1 mt -72.42 -47.34 52.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.421 177.069 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 115' ' ' VAL . . . . . 0.55 ' O ' HD23 ' B' ' 119' ' ' LEU . 36.0 m -61.72 -40.6 87.39 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-O 120.921 0.391 . . . . 0.0 110.884 -178.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -64.24 -36.2 83.32 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.631 -178.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 55.3 tptt -71.7 -38.07 70.58 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.074 -177.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . 0.625 HD22 HD12 ' B' ' 123' ' ' LEU . 18.1 mt -57.42 -47.37 81.94 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-O 121.189 0.519 . . . . 0.0 110.398 175.603 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 119' ' ' LEU . . . . . 0.55 HD23 ' O ' ' B' ' 115' ' ' VAL . 4.5 mm? -63.19 -32.76 74.23 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.102 -0.953 . . . . 0.0 111.069 -178.749 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -84.12 -24.1 30.42 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.148 -177.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 48.8 tp -92.76 -13.13 29.68 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.457 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 78.11 34.92 35.93 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.555 178.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . 0.625 HD12 HD22 ' B' ' 118' ' ' LEU . 42.5 mt -84.79 -24.03 28.89 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.261 0.553 . . . . 0.0 110.023 177.481 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 124' ' ' VAL . . . . . 0.542 HG21 HD21 ' B' ' 130' ' ' LEU . 14.0 m -146.46 -176.32 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.215 -179.215 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -116.16 -6.79 11.89 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.266 179.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -175.36 171.98 2.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.019 -174.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 127' ' ' ARG . . . . . 0.736 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 8.9 mpt_? -78.17 -20.46 51.92 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.7 0.286 . . . . 0.0 111.262 178.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 128' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' B' ' 128' ' ' ARG . 4.5 ttm180 -59.32 -36.3 75.38 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.305 0.574 . . . . 0.0 110.916 -178.337 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -78.63 -7.57 57.76 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.298 -0.864 . . . . 0.0 112.3 -171.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 130' ' ' LEU . . . . . 0.736 ' HG ' ' O ' ' B' ' 127' ' ' ARG . 0.4 OUTLIER -83.48 -10.06 58.59 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.662 0.744 . . . . 0.0 109.914 -176.014 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 131' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -123.73 130.53 52.78 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.1 -0.955 . . . . 0.0 109.011 -175.227 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . 0.453 ' HG2' HH11 ' B' ' 134' ' ' ARG . 40.2 ttmt -45.2 131.87 7.61 Favored 'General case' 0 N--CA 1.465 0.306 0 O-C-N 123.542 0.526 . . . . 0.0 111.498 -177.038 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . 0.512 ' HG3' ' NE2' ' B' ' 135' ' ' GLN . 0.0 OUTLIER -138.63 146.32 41.55 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.658 -171.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 134' ' ' ARG . . . . . 0.478 ' HD3' ' C ' ' B' ' 133' ' ' LYS . 0.5 OUTLIER -120.01 88.39 2.93 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 169.755 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 135' ' ' GLN . . . . . 0.512 ' NE2' ' HG3' ' B' ' 133' ' ' LYS . 29.6 pt20 -130.41 164.8 23.95 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.649 -171.577 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -103.48 53.05 0.76 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.912 0.863 . . . . 0.0 108.949 174.131 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 137' ' ' LYS . . . . . 0.455 ' HD3' ' O ' ' B' ' 138' ' ' LEU . 12.6 tmtt? -148.43 149.22 31.33 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.642 -172.594 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 138' ' ' LEU . . . . . 0.455 ' O ' ' HD3' ' B' ' 137' ' ' LYS . 58.2 mt -45.56 124.07 4.73 Favored 'General case' 0 N--CA 1.467 0.391 0 O-C-N 124.065 0.853 . . . . 0.0 112.23 -177.571 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . -68.61 -167.31 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.479 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 14.8 m -50.23 101.14 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.209 0 CA-C-O 121.154 0.502 . . . . 0.0 111.446 -179.083 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 141' ' ' SER . . . . . . . . . . . . . 20.5 m . . . . . 0 C--O 1.248 0.981 0 CA-C-O 118.324 -0.846 . . . . 0.0 109.969 179.773 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . 0.485 ' HB2' ' HD3' ' B' ' 2' ' ' PRO . 3.8 m-20 . . . . . 0 N--CA 1.483 1.188 0 CA-C-O 119.575 -0.25 . . . . 0.0 111.33 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . 0.485 ' HD3' ' HB2' ' B' ' 1' ' ' ASP . 98.0 Cg_endo -83.3 0.66 9.42 Favored 'Trans proline' 0 C--N 1.353 0.81 0 C-N-CA 121.145 1.23 . . . . 0.0 111.744 175.431 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 3.9 p -79.92 36.77 0.35 Allowed 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.83 -175.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 17.8 mtm180 -89.2 -161.83 0.81 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.133 -0.939 . . . . 0.0 108.866 175.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -40.53 124.01 1.92 Allowed 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.702 0.287 . . . . 0.0 110.64 171.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.14 135.46 94.94 Favored Pre-proline 0 N--CA 1.452 -0.364 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.537 -177.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -62.17 160.93 28.46 Favored 'Trans proline' 0 N--CA 1.461 -0.405 0 C-N-CA 123.042 2.495 . . . . 0.0 112.344 175.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 1.6 p -87.42 139.11 30.88 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.207 -0.452 . . . . 0.0 109.789 173.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' TRP . . . . . 0.555 ' CE3' ' HG2' ' B' ' 13' ' ' GLU . 81.6 m95 -64.35 118.37 8.6 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.402 0.62 . . . . 0.0 111.936 -175.478 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 12.2 m -79.18 156.37 76.55 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.773 176.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -50.77 -47.01 27.11 Favored 'Trans proline' 0 CA--C 1.531 0.364 0 C-N-CA 122.694 2.263 . . . . 0.0 112.663 178.03 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -67.12 -29.29 68.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.941 0.4 . . . . 0.0 110.567 178.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.555 ' HG2' ' CE3' ' B' ' 9' ' ' TRP . 22.9 tt0 -72.88 -40.37 65.65 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.354 -174.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -71.82 -32.19 67.32 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 120.829 0.347 . . . . 0.0 110.727 175.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . 0.415 ' O ' ' HG2' ' B' ' 18' ' ' ARG . . . -68.4 -45.14 73.47 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.831 0.348 . . . . 0.0 110.14 175.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.473 ' HA ' ' HB3' ' B' ' 19' ' ' GLU . 21.8 t-160 -60.56 -27.08 67.41 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 123.351 0.66 . . . . 0.0 110.426 173.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.554 HD11 HG23 ' B' ' 50' ' ' ILE . 15.5 tp -67.9 -46.04 72.72 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 -179.683 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . 0.739 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 33.6 ptt180 -78.06 -29.42 49.25 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 176.194 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . 0.473 ' HB3' ' HA ' ' B' ' 16' ' ' HIS . 15.7 tp10 -50.57 -52.36 39.68 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.746 0.784 . . . . 0.0 110.155 177.398 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.96 -32.26 69.07 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.751 -1.113 . . . . 0.0 111.164 -179.013 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' TYR . . . . . 0.423 ' HA ' HD11 ' B' ' 36' ' ' ILE . 87.2 t80 -70.18 -50.8 36.53 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.218 -177.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.739 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 63.1 mt -58.18 -30.28 66.3 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.693 -177.683 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.36 -47.07 36.48 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.695 -0.684 . . . . 0.0 112.183 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 46.8 m-80 -108.04 16.05 23.75 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -172.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 14.6 ptmm? -75.46 -20.46 58.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.79 0.329 . . . . 0.0 111.321 -178.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -101.19 10.04 41.26 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.145 0.497 . . . . 0.0 110.751 -176.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 41.8 t -92.67 107.91 19.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.858 179.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -92.86 150.13 20.81 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.169 -178.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.71 21.21 60.14 Favored Glycine 0 N--CA 1.449 -0.446 0 N-CA-C 110.18 -1.168 . . . . 0.0 110.18 -172.21 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -142.81 151.02 40.73 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 114.795 -0.703 . . . . 0.0 110.217 -174.559 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . 0.502 ' HB2' ' HB3' ' B' ' 34' ' ' GLU . 9.8 m-20 -88.98 102.61 15.25 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 173.655 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.612 ' O ' HG12 ' B' ' 36' ' ' ILE . 9.8 p -58.67 -43.85 88.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.803 -176.022 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . 0.821 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 13.5 p -68.38 -35.43 70.75 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.594 0 C-N-CA 121.094 -0.242 . . . . 0.0 110.462 -176.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.502 ' HB3' ' HB2' ' B' ' 31' ' ' ASP . 35.0 tt0 -58.79 -46.11 88.32 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 175.249 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.75 -36.9 70.31 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.697 176.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.612 HG12 ' O ' ' B' ' 32' ' ' VAL . 7.0 mm -71.6 -63.69 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.037 179.691 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.821 ' HG ' ' O ' ' B' ' 33' ' ' VAL . 6.0 mt -48.37 -42.18 30.97 Favored 'General case' 0 N--CA 1.477 0.878 0 O-C-N 124.001 0.813 . . . . 0.0 111.902 -174.338 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.59 -25.16 22.62 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 -168.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 44.8 m-70 -86.09 -29.9 23.0 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 119.997 -0.681 . . . . 0.0 111.399 -176.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.405 ' C ' ' H ' ' B' ' 42' ' ' THR . 0.5 OUTLIER -99.12 84.07 2.98 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.754 0.787 . . . . 0.0 111.032 175.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 -81.35 38.36 0.48 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.517 0.675 . . . . 0.0 110.473 -177.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . 0.405 ' H ' ' C ' ' B' ' 40' ' ' LEU . 4.9 t -91.93 -22.67 19.91 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.263 -0.881 . . . . 0.0 109.477 176.621 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 2.3 m -121.81 115.19 30.82 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.5 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo -71.23 88.16 0.72 Allowed 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 121.943 1.762 . . . . 0.0 109.561 167.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 23.4 mtt85 -140.8 176.37 8.85 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.372 0.606 . . . . 0.0 112.381 -170.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 72.9 p -105.19 -172.45 2.1 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.831 -1.077 . . . . 0.0 110.562 -178.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . 0.499 ' O ' HG13 ' B' ' 51' ' ' ILE . 3.9 mmt180 -71.19 -50.78 29.57 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.0 0.428 . . . . 0.0 109.916 -175.315 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.509 ' HE2' ' OE1' ' B' ' 49' ' ' GLN . 21.2 ttpt -53.99 -36.42 62.91 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 115.224 -0.898 . . . . 0.0 112.264 -174.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.509 ' OE1' ' HE2' ' B' ' 48' ' ' LYS . 0.2 OUTLIER -55.83 -60.94 2.75 Favored 'General case' 0 C--O 1.239 0.532 0 CA-C-O 121.443 0.64 . . . . 0.0 111.381 -179.736 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.554 HG23 HD11 ' B' ' 17' ' ' LEU . 1.9 mp -61.51 -42.48 94.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.885 -177.676 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.499 HG13 ' O ' ' B' ' 47' ' ' ARG . 79.5 mt -52.98 -47.2 54.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.793 179.465 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -54.79 -51.38 65.96 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-N 115.267 -0.879 . . . . 0.0 112.199 -176.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' HIS . . . . . 0.43 ' HB2' ' CD2' ' B' ' 17' ' ' LEU . 96.7 m-70 -62.57 -35.17 78.65 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 120.595 -0.442 . . . . 0.0 111.801 -176.582 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . 0.502 HD22 HD11 ' B' ' 59' ' ' LEU . 91.8 mt -69.35 -48.28 61.8 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.789 0.328 . . . . 0.0 110.928 -176.08 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 21.8 m -72.28 -21.97 20.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.064 0.459 . . . . 0.0 110.593 179.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -78.0 -28.96 49.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.234 177.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 67.1 mtm -83.84 0.95 45.44 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.995 -0.282 . . . . 0.0 111.304 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 75.06 5.31 75.5 Favored Glycine 0 CA--C 1.511 -0.162 0 C-N-CA 120.977 -0.63 . . . . 0.0 112.645 175.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.502 HD11 HD22 ' B' ' 54' ' ' LEU . 4.1 pp -88.32 -13.55 40.47 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.489 0.662 . . . . 0.0 109.584 178.438 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -129.26 157.73 41.03 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.045 -0.979 . . . . 0.0 109.562 173.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -78.33 -66.6 0.83 Allowed 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -175.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 24.8 m -149.51 164.27 35.51 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.757 0.313 . . . . 0.0 111.246 -172.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' VAL . . . . . 0.405 HG22 HG22 ' B' ' 51' ' ' ILE . 46.3 t -66.34 -32.06 56.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.997 -179.459 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . 0.448 ' HA ' ' O ' ' B' ' 67' ' ' GLN . 9.6 mtpm? -55.89 -30.08 60.99 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.737 -0.665 . . . . 0.0 112.431 -178.561 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -73.77 -18.47 60.97 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.111 0.481 . . . . 0.0 110.52 -176.179 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' PHE . . . . . 0.423 ' CG ' HG23 ' B' ' 51' ' ' ILE . 0.2 OUTLIER -104.56 -48.73 3.72 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.175 -179.479 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' GLN . . . . . 0.448 ' O ' ' HA ' ' B' ' 64' ' ' LYS . 78.8 mm-40 -152.01 -177.47 6.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.228 -173.309 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -128.92 101.81 6.24 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.544 0.688 . . . . 0.0 110.355 -179.305 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 15.5 tppt? -144.64 -63.05 0.36 Allowed 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 175.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -80.28 138.54 19.97 Favored Glycine 0 N--CA 1.443 -0.861 0 N-CA-C 110.07 -1.212 . . . . 0.0 110.07 170.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 1.4 p -88.37 -179.46 6.11 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 121.532 0.682 . . . . 0.0 112.195 -176.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -80.82 17.96 1.08 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.885 -1.052 . . . . 0.0 109.687 172.745 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . 0.484 ' CD1' ' HE2' ' B' ' 117' ' ' LYS . 6.0 mm -78.42 111.71 15.58 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.843 0 CA-C-O 122.772 1.272 . . . . 0.0 112.939 -167.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . 0.49 HG11 ' HG2' ' B' ' 109' ' ' ARG . 0.2 OUTLIER -53.69 143.74 5.35 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 CA-C-N 112.049 -2.342 . . . . 0.0 109.394 167.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.93 102.7 0.06 Allowed 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.398 0.618 . . . . 0.0 111.434 -178.659 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' TRP . . . . . 0.611 ' CH2' HD23 ' B' ' 84' ' ' LEU . 20.7 m95 -90.33 113.13 24.93 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.264 177.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 24.9 p -124.53 175.11 7.37 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.562 178.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -53.98 -47.56 65.84 Favored Glycine 0 C--O 1.229 -0.205 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.465 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . 0.484 ' O ' ' HG3' ' B' ' 83' ' ' GLU . 8.8 m-20 -59.86 -56.56 20.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.812 0.339 . . . . 0.0 110.659 177.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' GLN . . . . . 0.456 ' NE2' ' HA ' ' B' ' 76' ' ' TRP . 0.1 OUTLIER -58.72 -40.64 84.29 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.022 -175.696 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -65.08 -48.69 72.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.374 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.415 HD13 ' C ' ' B' ' 82' ' ' LEU . 2.4 tm? -63.79 -42.5 97.72 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.976 -179.299 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . 0.484 ' HG3' ' O ' ' B' ' 79' ' ' ASP . 63.8 mt-10 -61.31 -44.63 96.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.696 0.284 . . . . 0.0 111.211 -179.397 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . 0.611 HD23 ' CH2' ' B' ' 76' ' ' TRP . 15.5 tp -72.45 -36.26 68.48 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.934 -0.306 . . . . 0.0 110.555 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -55.13 -61.55 2.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.229 178.319 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 86' ' ' ARG . . . . . 0.447 ' O ' ' HG2' ' B' ' 90' ' ' GLU . 55.6 mtp180 -60.5 -42.73 96.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.591 -175.179 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . 0.453 HD21 HD22 ' B' ' 104' ' ' ASN . 4.5 mp -60.6 -46.01 91.87 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.721 -179.212 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.655 ' O ' ' HB2' ' B' ' 92' ' ' ARG . 1.6 t80 -56.26 -35.75 67.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.791 178.69 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -76.99 -42.04 40.39 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 179.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . 0.447 ' HG2' ' O ' ' B' ' 86' ' ' ARG . 11.6 pt-20 -89.79 -25.33 21.15 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -167.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 91' ' ' PHE . . . . . 0.443 ' CE2' ' HG ' ' B' ' 87' ' ' LEU . 78.5 m-85 -95.33 12.74 28.07 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.599 0.714 . . . . 0.0 109.933 175.735 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 92' ' ' ARG . . . . . 0.655 ' HB2' ' O ' ' B' ' 88' ' ' PHE . 51.1 ttt180 -81.11 -12.09 59.34 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.243 -0.889 . . . . 0.0 111.625 -173.676 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -86.46 5.56 34.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.806 0.336 . . . . 0.0 111.066 -179.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 61.9 p -104.78 172.04 7.0 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 175.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 95' ' ' ASP . . . . . 0.535 ' HA ' ' HB3' ' B' ' 132' ' ' LYS . 28.9 m-20 -66.15 -27.58 68.13 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 -171.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -144.51 105.03 4.13 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.994 0.426 . . . . 0.0 110.499 179.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 97' ' ' VAL . . . . . 0.594 HG22 ' HA ' ' B' ' 92' ' ' ARG . 2.6 t -62.08 -54.56 32.77 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.362 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.636 -175.296 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . 0.526 ' H ' HD12 ' B' ' 98' ' ' LEU . 4.5 mp -63.22 -25.9 68.55 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.088 -0.96 . . . . 0.0 111.673 -170.633 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 99' ' ' GLY . . . . . 0.56 ' O ' ' HD3' ' B' ' 103' ' ' LYS . . . -66.87 -46.19 76.59 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.887 -0.673 . . . . 0.0 111.874 177.571 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 73.5 m-70 -74.37 -28.58 61.17 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 178.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 101' ' ' ILE . . . . . 0.474 ' HB ' ' HA ' ' B' ' 98' ' ' LEU . 29.8 mt -57.37 -56.4 15.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.375 -0.829 . . . . 0.0 110.499 173.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 102' ' ' MET . . . . . 0.425 ' HG3' ' O ' ' B' ' 98' ' ' LEU . 60.4 mtt -60.43 -36.92 79.32 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.808 -177.661 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 103' ' ' LYS . . . . . 0.56 ' HD3' ' O ' ' B' ' 99' ' ' GLY . 5.3 mptp? -77.06 -18.73 57.86 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.667 -177.045 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 104' ' ' ASN . . . . . 0.453 HD22 HD21 ' B' ' 87' ' ' LEU . 6.2 t30 -101.88 -27.17 13.14 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.914 -0.314 . . . . 0.0 111.612 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 105' ' ' ILE . . . . . 0.499 HG12 ' NH2' ' B' ' 109' ' ' ARG . 5.7 tp -90.36 149.01 4.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 121.7 0.762 . . . . 0.0 111.855 -170.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 106' ' ' THR . . . . . 0.425 ' N ' HG13 ' B' ' 105' ' ' ILE . 1.7 t -72.78 -28.15 62.43 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 114.861 -1.063 . . . . 0.0 111.227 -178.162 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . 0.403 ' H ' HG13 ' B' ' 105' ' ' ILE . . . -90.82 128.07 36.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.777 0.322 . . . . 0.0 110.92 -178.441 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 108' ' ' LYS . . . . . 0.419 ' HA ' ' HE3' ' B' ' 108' ' ' LYS . 0.0 OUTLIER -89.58 102.35 15.03 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.748 0.785 . . . . 0.0 109.631 176.511 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 109' ' ' ARG . . . . . 0.499 ' NH2' HG12 ' B' ' 105' ' ' ILE . 31.9 mtm180 -117.7 145.85 44.13 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.721 -1.127 . . . . 0.0 109.375 -177.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 37.6 t -84.91 160.91 20.03 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 179.294 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 111' ' ' ARG . . . . . 0.507 ' CZ ' ' HB2' ' B' ' 98' ' ' LEU . 10.6 mmt180 -55.96 -41.82 75.3 Favored 'General case' 0 C--N 1.33 -0.271 0 O-C-N 123.299 0.374 . . . . 0.0 110.433 179.659 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -58.87 -37.35 76.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.412 -179.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 62.4 mtt180 -74.11 -39.96 63.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.813 0.34 . . . . 0.0 110.667 -178.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 114' ' ' ILE . . . . . 0.553 HG23 HD21 ' B' ' 84' ' ' LEU . 84.5 mt -74.11 -51.69 22.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.57 -173.741 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 115' ' ' VAL . . . . . 0.582 ' O ' HD23 ' B' ' 119' ' ' LEU . 20.1 m -63.24 -36.34 75.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-O 120.704 0.287 . . . . 0.0 110.6 -176.488 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -58.63 -42.14 87.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.51 0.672 . . . . 0.0 110.592 176.125 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . 0.505 ' O ' HD13 ' B' ' 121' ' ' LEU . 6.6 mmtm -79.68 -30.25 41.04 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.889 -175.118 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . 0.449 HD22 HD12 ' B' ' 123' ' ' LEU . 6.5 mt -62.59 -41.81 99.18 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.388 -0.525 . . . . 0.0 110.782 176.154 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 119' ' ' LEU . . . . . 0.582 HD23 ' O ' ' B' ' 115' ' ' VAL . 4.6 mm? -68.69 -26.53 65.34 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.587 178.365 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -83.77 -44.97 13.85 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.129 -177.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 121' ' ' LEU . . . . . 0.505 HD13 ' O ' ' B' ' 117' ' ' LYS . 10.0 mp -64.69 -24.98 67.75 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 121.102 0.477 . . . . 0.0 110.723 176.022 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 78.13 33.14 41.48 Favored Glycine 0 N--CA 1.442 -0.915 0 C-N-CA 120.735 -0.745 . . . . 0.0 111.306 -173.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . 0.449 HD12 HD22 ' B' ' 118' ' ' LEU . 40.8 mt -82.96 -17.75 42.42 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-O 121.638 0.732 . . . . 0.0 109.058 177.381 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 124' ' ' VAL . . . . . 0.669 HG22 ' H ' ' B' ' 125' ' ' ALA . 2.5 p -148.54 179.15 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.436 -1.165 0 CA-C-N 114.964 -1.016 . . . . 0.0 109.824 175.539 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . 0.669 ' H ' HG22 ' B' ' 124' ' ' VAL . . . -117.93 -7.23 10.93 Favored 'General case' 0 C--N 1.303 -1.418 0 CA-C-N 114.542 -1.208 . . . . 0.0 110.706 -179.143 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 126' ' ' GLU . . . . . 0.522 ' HG3' ' HG2' ' B' ' 129' ' ' GLU . 5.6 pt-20 -172.94 147.9 1.71 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.964 -168.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 127' ' ' ARG . . . . . 0.732 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 71.6 mtm-85 -69.92 -30.14 67.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.715 0.293 . . . . 0.0 111.627 -175.536 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 128' ' ' ARG . . . . . 0.517 ' HB3' ' O ' ' B' ' 141' ' ' SER . 9.6 ptt-85 -65.07 -6.94 10.07 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -178.317 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 129' ' ' GLU . . . . . 0.553 ' HB3' ' NH2' ' B' ' 92' ' ' ARG . 7.4 mm-40 -90.37 -23.74 21.01 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.077 0.465 . . . . 0.0 111.12 177.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 130' ' ' LEU . . . . . 0.732 ' HG ' ' O ' ' B' ' 127' ' ' ARG . 0.0 OUTLIER -96.19 10.92 36.24 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.575 176.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 131' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -131.33 111.65 12.05 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.12 -0.945 . . . . 0.0 108.918 172.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . 0.535 ' HB3' ' HA ' ' B' ' 95' ' ' ASP . 52.0 tttm -66.75 96.38 0.4 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.453 0.644 . . . . 0.0 109.417 177.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 36.9 tptt -130.49 157.13 43.5 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.107 -170.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 134' ' ' ARG . . . . . . . . . . . . . 18.8 mmt180 -96.32 91.97 6.12 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.015 0.436 . . . . 0.0 109.849 176.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -75.82 142.44 42.24 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.312 -178.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 28.2 mmtt -87.29 -145.38 0.13 Allowed 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 179.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 137' ' ' LYS . . . . . 0.517 ' HD3' ' N ' ' B' ' 138' ' ' LEU . 4.0 tmtm? -56.44 145.11 28.58 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 106.96 -1.496 . . . . 0.0 106.96 164.01 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 138' ' ' LEU . . . . . 0.517 ' N ' ' HD3' ' B' ' 137' ' ' LYS . 55.3 tp -44.66 104.39 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.411 0.624 . . . . 0.0 112.489 -170.286 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . -124.28 171.91 9.5 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.885 -1.052 . . . . 0.0 109.418 179.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 55.4 p -84.94 82.16 8.57 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 120.246 -0.582 . . . . 0.0 110.199 177.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 141' ' ' SER . . . . . 0.517 ' O ' ' HB3' ' B' ' 128' ' ' ARG . 22.7 t . . . . . 0 C--O 1.254 1.324 0 CA-C-O 117.972 -1.014 . . . . 0.0 109.063 173.001 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 2.1 p30 . . . . . 0 N--CA 1.477 0.912 0 N-CA-C 110.366 -0.235 . . . . 0.0 110.366 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -66.89 -41.86 9.54 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.408 2.072 . . . . 0.0 111.944 178.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 34.3 t -136.56 -54.23 0.73 Allowed 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 177.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -148.07 163.53 36.64 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 170.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 6.3 ppt_? -64.72 157.77 26.48 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.976 -0.29 . . . . 0.0 110.599 -179.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.493 ' HA ' ' O ' ' B' ' 44' ' ' PRO . . . -78.94 125.35 84.09 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-O 121.027 0.442 . . . . 0.0 111.952 -174.197 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -71.52 -176.31 1.93 Allowed 'Trans proline' 0 C--O 1.237 0.435 0 C-N-CA 123.56 2.84 . . . . 0.0 111.637 167.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 7.4 m -91.04 131.19 36.78 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 174.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 32.3 m95 -68.53 144.93 54.43 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.731 0.301 . . . . 0.0 110.998 -178.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 18.1 m -86.75 151.75 53.02 Favored Pre-proline 0 C--N 1.322 -0.598 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 175.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -49.73 -48.01 20.88 Favored 'Trans proline' 0 N--CA 1.477 0.533 0 C-N-CA 122.866 2.378 . . . . 0.0 112.813 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -64.86 -34.35 78.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.634 0.731 . . . . 0.0 110.594 178.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -72.44 -37.28 68.61 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.986 -1.006 . . . . 0.0 110.397 -176.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -70.14 -27.93 64.95 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.135 0.493 . . . . 0.0 110.156 175.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . 0.456 ' O ' ' HB2' ' B' ' 19' ' ' GLU . . . -68.69 -27.36 65.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.01 174.348 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.546 ' HA ' ' CB ' ' B' ' 19' ' ' GLU . 23.1 t-160 -83.36 -26.57 30.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.452 -0.794 . . . . 0.0 109.698 176.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -63.9 -51.03 66.39 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 175.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . 0.741 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 15.0 ptm180 -70.67 -32.34 69.57 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.994 174.349 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . 0.546 ' CB ' ' HA ' ' B' ' 16' ' ' HIS . 13.5 tp10 -49.01 -57.06 7.14 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 121.411 0.624 . . . . 0.0 110.702 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.449 HD11 ' HB2' ' B' ' 39' ' ' HIS . 3.2 mt -60.98 -38.14 84.93 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.026 -0.988 . . . . 0.0 111.433 -179.544 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' TYR . . . . . 0.484 ' HA ' HD11 ' B' ' 36' ' ' ILE . 54.5 t80 -70.37 -42.14 72.17 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.955 0.407 . . . . 0.0 111.028 -176.602 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.741 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 58.1 mt -69.91 -20.02 63.38 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.944 -177.072 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -89.2 -45.13 9.78 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.419 178.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -82.12 -10.72 59.09 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -173.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -67.08 -21.32 65.89 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 121.012 0.434 . . . . 0.0 110.369 175.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -89.71 -8.39 52.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.411 -178.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 42.1 t -92.42 125.95 44.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.862 -177.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -95.97 132.99 40.71 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.837 -175.091 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.42 -33.8 4.94 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.962 -0.637 . . . . 0.0 112.255 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . 0.51 ' OE1' ' HB2' ' B' ' 35' ' ' ALA . 1.0 OUTLIER -79.02 125.22 29.1 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 178.91 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -61.94 110.63 1.62 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.365 -178.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.668 ' O ' HG12 ' B' ' 36' ' ' ILE . 2.0 p -62.47 -40.08 86.77 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.363 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.846 -173.266 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . 0.696 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 0.8 OUTLIER -67.48 -40.13 83.86 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.561 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 -174.891 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.576 ' HA ' HD11 ' B' ' 37' ' ' LEU . 3.2 tm-20 -67.56 -40.14 84.93 Favored 'General case' 0 N--CA 1.441 -0.895 0 CA-C-N 115.283 -0.871 . . . . 0.0 109.442 -179.181 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . 0.51 ' HB2' ' OE1' ' B' ' 30' ' ' GLN . . . -55.84 -42.85 76.4 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.16 0.505 . . . . 0.0 110.868 179.476 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.668 HG12 ' O ' ' B' ' 32' ' ' VAL . 4.8 mm -69.36 -57.59 8.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.03 -176.605 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.696 ' HG ' ' O ' ' B' ' 33' ' ' VAL . 2.9 pp -64.83 -18.96 65.59 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.641 -0.709 . . . . 0.0 112.117 -176.184 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -79.77 -52.64 7.68 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 -177.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' HIS . . . . . 0.456 ' HD2' ' O ' ' B' ' 35' ' ' ALA . 90.1 m-70 -83.09 -24.14 32.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.814 0.34 . . . . 0.0 111.772 -168.019 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.561 ' HB2' ' NH2' ' B' ' 45' ' ' ARG . 16.0 mt -76.46 83.08 3.17 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.014 0.435 . . . . 0.0 111.653 -178.455 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 39.5 m-80 -104.93 38.49 1.91 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.637 0.732 . . . . 0.0 109.091 171.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . 0.41 HG23 HG12 ' B' ' 43' ' ' VAL . 8.3 t -96.94 -19.06 19.07 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.409 -1.269 . . . . 0.0 109.416 176.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . 0.442 ' O ' ' HD3' ' B' ' 45' ' ' ARG . 7.3 p -149.88 124.32 4.66 Favored Pre-proline 0 N--CA 1.447 -0.625 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.05 -175.415 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . 0.493 ' O ' ' HA ' ' B' ' 6' ' ' ALA . 57.1 Cg_endo -75.73 120.39 5.82 Favored 'Trans proline' 0 N--CA 1.46 -0.462 0 C-N-CA 122.237 1.958 . . . . 0.0 112.007 177.563 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.561 ' NH2' ' HB2' ' B' ' 40' ' ' LEU . 0.0 OUTLIER -156.6 167.88 29.1 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 179.138 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 6.0 t -76.84 153.68 34.6 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 172.048 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . 0.509 ' CG ' HD22 ' B' ' 37' ' ' LEU . 0.1 OUTLIER -60.69 -25.03 66.09 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.309 0.576 . . . . 0.0 110.818 -178.407 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -55.37 -39.52 70.19 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.154 -0.93 . . . . 0.0 111.323 177.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -65.65 -33.83 76.81 Favored 'General case' 0 C--O 1.222 -0.352 0 CA-C-N 116.684 -0.234 . . . . 0.0 111.444 -175.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.511 HG21 ' HB ' ' B' ' 36' ' ' ILE . 2.9 mp -61.19 -59.1 4.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 120.957 0.408 . . . . 0.0 110.032 178.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.489 HG13 ' CD2' ' B' ' 66' ' ' PHE . 2.1 mp -54.74 -42.79 63.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.093 -0.958 . . . . 0.0 110.417 177.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' HIS . . . . . 0.572 ' HB3' ' NE2' ' B' ' 56' ' ' GLN . 2.7 m-70 -66.37 -53.67 33.31 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.265 -0.879 . . . . 0.0 112.06 -177.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -59.73 -33.6 71.84 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 111.762 0.282 . . . . 0.0 111.762 -175.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . 0.528 ' CD2' HD11 ' B' ' 59' ' ' LEU . 76.3 mt -65.25 -49.37 69.87 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.073 -179.003 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 11.7 m -76.77 -24.43 15.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.173 0.511 . . . . 0.0 110.452 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' GLN . . . . . 0.572 ' NE2' ' HB3' ' B' ' 52' ' ' HIS . 40.1 mt-30 -66.68 -33.4 75.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.361 177.624 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 73.6 mtm -91.64 11.05 25.67 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.889 0.376 . . . . 0.0 111.2 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 67.86 8.32 52.62 Favored Glycine 0 C--N 1.331 0.293 0 CA-C-N 115.741 -0.663 . . . . 0.0 113.273 173.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.528 HD11 ' CD2' ' B' ' 54' ' ' LEU . 4.5 pp -90.25 -18.71 25.16 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.527 0.68 . . . . 0.0 109.966 -178.704 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -110.33 161.02 16.04 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.43 172.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -72.13 -68.37 0.47 Allowed 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.792 178.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 58.8 m -164.72 176.17 9.05 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.2 0.524 . . . . 0.0 111.951 -175.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' VAL . . . . . 0.422 HG12 ' HB3' ' B' ' 68' ' ' ARG . 3.6 t -61.03 -24.69 33.81 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 CA-C-N 114.976 -1.011 . . . . 0.0 110.717 176.746 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . 0.51 ' HA ' ' O ' ' B' ' 68' ' ' ARG . 53.2 mtmt -61.64 -30.92 71.02 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.117 -0.947 . . . . 0.0 112.086 -177.004 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -82.17 -19.13 40.51 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.275 0.559 . . . . 0.0 110.943 -178.048 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' PHE . . . . . 0.489 ' CD2' HG13 ' B' ' 51' ' ' ILE . 44.9 m-85 -101.66 -46.71 4.86 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -172.486 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -139.79 -50.15 0.49 Allowed 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 -170.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' ARG . . . . . 0.51 ' O ' ' HA ' ' B' ' 64' ' ' LYS . 27.9 ttm180 -85.81 137.48 32.75 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.877 -169.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -52.37 127.61 22.84 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 171.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -36.81 116.84 0.38 Allowed Glycine 0 N--CA 1.448 -0.526 0 O-C-N 124.345 1.028 . . . . 0.0 112.237 174.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . 0.463 ' H ' ' CD ' ' B' ' 64' ' ' LYS . 25.1 p -52.7 129.82 30.73 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.951 -0.625 . . . . 0.0 112.408 -170.635 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -72.45 -10.99 60.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.566 178.583 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -14.74 130.28 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 N-CA-C 115.989 1.848 . . . . 0.0 115.989 -162.217 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . 0.579 HG21 ' HG2' ' B' ' 109' ' ' ARG . 3.9 m -53.95 151.29 1.47 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.669 0 CA-C-N 112.723 -2.035 . . . . 0.0 109.847 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.545 ' O ' HD12 ' B' ' 75' ' ' LEU . 0.6 OUTLIER -50.13 90.98 0.0 OUTLIER 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 121.684 0.754 . . . . 0.0 113.023 -178.528 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' TRP . . . . . 0.71 ' CH2' HD23 ' B' ' 84' ' ' LEU . 17.8 m95 -88.45 109.27 19.89 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 171.455 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 69.6 p -101.12 160.26 14.54 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.782 176.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -54.01 -38.51 60.75 Favored Glycine 0 CA--C 1.519 0.283 0 C-N-CA 121.283 -0.484 . . . . 0.0 113.438 -177.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -74.76 -42.63 57.83 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.741 0.27 . . . . 0.0 111.589 -176.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -80.56 -25.39 38.61 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.671 -0.412 . . . . 0.0 110.354 -177.133 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -67.1 -44.48 79.89 Favored 'General case' 0 CA--C 1.52 -0.195 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 175.241 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 17.5 tp -63.59 -40.13 96.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.176 175.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . 0.42 ' O ' ' HB2' ' B' ' 87' ' ' LEU . 11.3 tp10 -56.14 -49.13 74.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.289 178.152 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . 0.71 HD23 ' CH2' ' B' ' 76' ' ' TRP . 26.0 tp -73.15 -31.29 64.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.784 179.746 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -56.07 -59.67 4.58 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 175.288 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 47.6 mtp180 -56.89 -44.63 82.48 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.914 177.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . 0.504 HD11 HD22 ' B' ' 104' ' ' ASN . 4.6 tp -58.02 -50.18 74.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.117 -175.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -57.29 -46.89 82.69 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.283 179.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -65.45 -33.37 75.78 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.259 -178.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -84.2 -26.14 28.97 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.258 -172.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -107.77 -1.68 20.71 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.419 0.526 . . . . 0.0 112.419 -177.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 92' ' ' ARG . . . . . 0.456 ' HA ' ' HB ' ' B' ' 97' ' ' VAL . 25.8 ptt180 -72.76 -9.25 58.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.486 0.66 . . . . 0.0 109.711 175.568 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -58.95 -18.71 36.22 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.793 171.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 24.1 t -103.62 179.63 4.22 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 178.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 95' ' ' ASP . . . . . 0.488 ' O ' ' HA ' ' B' ' 132' ' ' LYS . 16.4 m-20 -71.89 -50.57 28.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.022 0.439 . . . . 0.0 110.63 -177.49 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -112.32 103.61 11.75 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.942 -178.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 97' ' ' VAL . . . . . 0.456 ' HB ' ' HA ' ' B' ' 92' ' ' ARG . 10.3 p -76.98 -34.59 22.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.624 -176.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . 0.469 ' HA ' HD12 ' B' ' 101' ' ' ILE . 4.1 mp -72.03 -32.35 67.05 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.335 0.494 . . . . 0.0 112.335 -172.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -59.49 -40.26 96.0 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.587 -0.816 . . . . 0.0 111.614 174.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 83.6 m-70 -77.72 -30.25 51.61 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 178.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 101' ' ' ILE . . . . . 0.478 ' O ' HG22 ' B' ' 105' ' ' ILE . 42.3 mt -56.55 -59.57 2.82 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.303 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.994 173.522 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 21.4 mmt -53.62 -37.75 63.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.077 -0.51 . . . . 0.0 112.092 -177.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -87.17 -11.49 49.78 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.16 -0.473 . . . . 0.0 112.271 -174.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 104' ' ' ASN . . . . . 0.504 HD22 HD11 ' B' ' 87' ' ' LEU . 52.7 t30 -115.81 -15.98 11.23 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.385 -0.526 . . . . 0.0 112.2 -178.511 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 105' ' ' ILE . . . . . 0.478 HG22 ' O ' ' B' ' 101' ' ' ILE . 11.1 tp -91.91 156.98 2.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.427 0.632 . . . . 0.0 111.225 -177.615 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 106' ' ' THR . . . . . 0.452 ' N ' HG13 ' B' ' 105' ' ' ILE . 14.7 t -78.91 -43.78 24.07 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.276 -0.875 . . . . 0.0 111.416 -178.564 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . 0.4 ' N ' HG23 ' B' ' 106' ' ' THR . . . -85.26 126.81 33.99 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-O 120.615 0.245 . . . . 0.0 110.415 -178.02 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 9.0 mptt -91.84 102.72 15.32 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.506 0.669 . . . . 0.0 110.314 179.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 109' ' ' ARG . . . . . 0.579 ' HG2' HG21 ' B' ' 74' ' ' VAL . 12.7 mtm180 -104.13 -178.09 3.56 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.913 -1.04 . . . . 0.0 110.696 -178.011 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 110' ' ' SER . . . . . 0.473 ' O ' HG13 ' B' ' 114' ' ' ILE . 18.5 m -100.28 148.24 24.88 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.462 167.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 61.7 mtp180 -65.06 -36.68 85.11 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -172.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -58.77 -38.57 78.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.044 0.45 . . . . 0.0 111.899 -177.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . 0.486 ' O ' ' HB2' ' B' ' 117' ' ' LYS . 1.8 ptp180 -87.11 -19.25 28.8 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.559 -178.407 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 114' ' ' ILE . . . . . 0.473 HG13 ' O ' ' B' ' 110' ' ' SER . 77.5 mt -69.91 -50.99 44.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 175.117 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 115' ' ' VAL . . . . . 0.422 ' O ' HD23 ' B' ' 119' ' ' LEU . 27.0 m -61.63 -37.96 79.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.97 -178.157 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -74.24 -32.21 62.89 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.202 -177.437 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . 0.486 ' HB2' ' O ' ' B' ' 113' ' ' ARG . 6.2 tmtt? -72.09 -27.65 62.79 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.386 178.669 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . 0.567 HD22 HD12 ' B' ' 123' ' ' LEU . 19.7 mt -57.76 -46.52 84.41 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 121.086 0.469 . . . . 0.0 110.02 173.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 119' ' ' LEU . . . . . 0.422 HD23 ' O ' ' B' ' 115' ' ' VAL . 4.4 mm? -56.55 -36.26 69.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.484 178.236 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -73.39 -37.13 66.09 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.381 -178.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 121' ' ' LEU . . . . . 0.404 HD13 ' O ' ' B' ' 117' ' ' LYS . 10.9 mp -71.48 -25.41 62.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.031 0.443 . . . . 0.0 110.922 175.061 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 80.44 29.31 44.9 Favored Glycine 0 N--CA 1.442 -0.919 0 C-N-CA 120.649 -0.786 . . . . 0.0 111.275 -171.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . 0.567 HD12 HD22 ' B' ' 118' ' ' LEU . 43.8 mt -76.96 -21.41 54.81 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-O 121.607 0.718 . . . . 0.0 109.235 177.494 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 124' ' ' VAL . . . . . 0.425 HG21 ' CD2' ' B' ' 130' ' ' LEU . 12.2 m -147.9 177.64 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 114.59 -1.186 . . . . 0.0 109.605 176.111 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -117.73 -7.69 10.97 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.694 176.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -158.91 152.45 22.93 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 114.815 -1.084 . . . . 0.0 109.152 -175.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 127' ' ' ARG . . . . . 0.64 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 36.4 mtm-85 -74.9 -21.12 59.4 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.124 0.487 . . . . 0.0 110.496 177.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 128' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -51.22 -34.79 33.64 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 114.728 -1.124 . . . . 0.0 112.232 -179.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -73.48 -33.24 64.73 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -176.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 130' ' ' LEU . . . . . 0.64 ' HG ' ' O ' ' B' ' 127' ' ' ARG . 0.1 OUTLIER -91.62 20.45 5.44 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.341 0.591 . . . . 0.0 110.738 -176.627 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 131' ' ' TYR . . . . . 0.515 ' CE2' ' HB3' ' B' ' 127' ' ' ARG . 16.6 m-85 -122.23 134.37 54.7 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.173 -0.922 . . . . 0.0 109.022 178.669 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . 0.488 ' HA ' ' O ' ' B' ' 95' ' ' ASP . 44.5 pttt -32.09 -130.79 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 127.135 2.174 . . . . 0.0 116.365 -168.265 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 13.5 ptmm? -47.05 138.12 6.95 Favored 'General case' 0 C--O 1.236 0.348 0 O-C-N 121.333 -0.854 . . . . 0.0 112.157 -168.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 134' ' ' ARG . . . . . . . . . . . . . 22.2 mmt180 -77.86 82.45 4.24 Favored 'General case' 0 CA--C 1.509 -0.613 0 CA-C-N 114.194 -1.366 . . . . 0.0 110.89 -166.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.03 97.22 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 113.212 -1.813 . . . . 0.0 112.498 171.248 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 58.3 mtmt -96.19 53.25 1.33 Allowed 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 168.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 19.6 tptm -148.98 145.67 27.45 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 112.935 -1.939 . . . . 0.0 107.365 -174.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 90.6 mt -67.49 80.12 0.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.191 0.519 . . . . 0.0 111.0 179.07 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . -119.82 136.09 54.61 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.994 178.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 30.6 m -88.79 80.87 7.09 Favored 'General case' 0 N--CA 1.44 -0.944 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 175.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 141' ' ' SER . . . . . . . . . . . . . 65.9 m . . . . . 0 C--O 1.247 0.943 0 CA-C-O 118.594 -0.717 . . . . 0.0 109.804 172.609 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . 0.496 ' HB3' HG22 ' B' ' 46' ' ' THR . 0.2 OUTLIER . . . . . 0 N--CA 1.48 1.047 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . 0.468 ' HD2' ' HB2' ' B' ' 1' ' ' ASP . 7.8 Cg_endo -50.33 -46.83 26.99 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 123.208 2.605 . . . . 0.0 114.278 -178.653 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 24.8 t -148.32 -54.4 0.2 Allowed 'General case' 0 C--O 1.234 0.282 0 N-CA-C 113.072 0.768 . . . . 0.0 113.072 -172.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . 0.462 ' O ' ' HA ' ' B' ' 45' ' ' ARG . 75.0 mtp85 -139.39 138.92 36.96 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 111.976 0.361 . . . . 0.0 111.976 -167.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -79.86 64.69 4.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.869 0.842 . . . . 0.0 109.518 170.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.776 ' O ' ' HB3' ' B' ' 45' ' ' ARG . . . -111.07 142.0 25.4 Favored Pre-proline 0 C--N 1.32 -0.678 0 CA-C-N 114.955 -1.02 . . . . 0.0 112.818 -168.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -94.35 119.12 0.29 Allowed 'Trans proline' 0 N--CA 1.44 -1.618 0 C-N-CA 121.875 1.717 . . . . 0.0 113.137 162.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . 0.55 ' OG1' HG23 ' B' ' 43' ' ' VAL . 36.6 p -134.68 93.5 3.05 Favored 'General case' 0 C--N 1.31 -1.147 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 162.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 59.3 m95 -133.83 128.08 33.96 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.534 -170.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 33.8 p -89.4 165.65 24.89 Favored Pre-proline 0 C--N 1.313 -0.98 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 173.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -51.36 -33.42 46.08 Favored 'Trans proline' 0 N--CA 1.462 -0.344 0 C-N-CA 122.138 1.892 . . . . 0.0 111.292 171.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -73.51 -37.47 65.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.212 177.246 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.483 ' CD ' HG21 ' B' ' 42' ' ' THR . 6.8 tp10 -68.12 -42.81 79.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.521 0.2 . . . . 0.0 111.332 -173.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -73.52 -25.05 60.24 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.264 -0.574 . . . . 0.0 110.476 177.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . 0.488 ' O ' ' HB2' ' B' ' 19' ' ' GLU . . . -71.12 -26.35 62.98 Favored 'General case' 0 C--O 1.225 -0.219 0 CA-C-O 121.454 0.645 . . . . 0.0 109.671 171.782 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.496 ' O ' ' HB3' ' B' ' 19' ' ' GLU . 11.4 t-160 -81.71 -28.76 33.28 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.737 -1.12 . . . . 0.0 110.147 176.562 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.538 ' CD2' ' HB2' ' B' ' 53' ' ' HIS . 21.9 tp -67.75 -45.66 74.31 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.701 176.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . 0.818 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 12.0 ptm180 -72.16 -33.39 67.68 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 175.341 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . 0.496 ' HB3' ' O ' ' B' ' 16' ' ' HIS . 8.3 tp10 -50.58 -50.78 52.84 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.156 177.681 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.454 ' HB3' HG12 ' B' ' 36' ' ' ILE . 0.4 OUTLIER -69.2 -33.17 72.94 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.675 -1.148 . . . . 0.0 111.445 -178.479 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -68.63 -50.58 50.31 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 121.421 0.629 . . . . 0.0 109.968 -178.024 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.818 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 16.3 mt -63.14 -26.48 68.83 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.915 -1.038 . . . . 0.0 111.21 -178.264 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.4 -30.32 37.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.045 -0.525 . . . . 0.0 112.373 -175.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 45.5 m-80 -119.99 22.65 11.39 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -173.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -85.37 -13.66 48.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.954 0.407 . . . . 0.0 111.156 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -98.84 23.91 8.28 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.907 0.86 . . . . 0.0 110.431 -177.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 21.8 t -113.36 108.01 24.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.586 -176.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -88.29 143.36 27.07 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.223 -176.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.95 27.45 49.99 Favored Glycine 0 N--CA 1.447 -0.578 0 N-CA-C 110.394 -1.083 . . . . 0.0 110.394 -173.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -144.47 151.69 39.54 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.009 -0.596 . . . . 0.0 110.679 -173.268 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -95.41 107.22 19.35 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 172.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.561 ' O ' HG13 ' B' ' 36' ' ' ILE . 9.3 p -58.45 -33.15 47.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 178.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . 0.794 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 3.1 t -55.26 -58.77 3.49 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.598 0 CA-C-N 114.736 -1.12 . . . . 0.0 110.03 175.665 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.485 ' HA ' HD12 ' B' ' 37' ' ' LEU . 8.7 tp10 -60.2 -34.13 73.2 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.655 -175.27 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.64 -46.26 87.5 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 121.553 0.692 . . . . 0.0 109.587 176.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.561 HG13 ' O ' ' B' ' 32' ' ' VAL . 35.7 mt -69.82 -56.21 12.22 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.425 179.161 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.794 ' HG ' ' O ' ' B' ' 33' ' ' VAL . 28.0 mt -43.49 -43.5 5.44 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 124.049 0.843 . . . . 0.0 112.07 -175.044 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -85.67 -35.01 21.17 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 -171.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' HIS . . . . . 0.448 ' HB2' HD11 ' B' ' 20' ' ' LEU . 17.7 m-70 -75.8 -30.61 59.12 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 -169.745 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.616 ' HG ' ' O ' ' B' ' 40' ' ' LEU . 1.8 pt? -99.79 83.52 2.76 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 122.388 1.09 . . . . 0.0 111.393 -178.521 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 23.6 p-10 -84.31 40.61 0.78 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.243 -0.89 . . . . 0.0 109.639 175.005 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . 0.483 HG21 ' CD ' ' B' ' 13' ' ' GLU . 5.0 t -96.58 -29.74 13.69 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.76 -1.109 . . . . 0.0 110.806 -175.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . 0.55 HG23 ' OG1' ' B' ' 8' ' ' THR . 3.9 p -131.57 130.69 22.49 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.698 -174.107 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -80.8 101.94 1.34 Allowed 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 122.667 2.244 . . . . 0.0 111.922 177.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.776 ' HB3' ' O ' ' B' ' 6' ' ' ALA . 0.0 OUTLIER -156.53 169.21 25.17 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.647 -178.055 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . 0.527 ' OG1' ' HG2' ' B' ' 49' ' ' GLN . 82.4 p -76.72 176.83 8.08 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.969 0.414 . . . . 0.0 111.005 -178.497 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . 0.527 ' HD2' ' HB3' ' B' ' 37' ' ' LEU . 27.4 mmt180 -73.93 -29.74 62.19 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 177.724 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 25.1 ttpp -62.11 -36.74 82.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.056 -0.975 . . . . 0.0 110.852 176.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.527 ' HG2' ' OG1' ' B' ' 46' ' ' THR . 15.5 mm100 -60.86 -38.92 87.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.271 -178.04 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.507 HG23 HD11 ' B' ' 17' ' ' LEU . 2.1 mp -61.19 -54.81 30.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.894 0.378 . . . . 0.0 110.107 176.357 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.429 HG21 HG13 ' B' ' 63' ' ' VAL . 63.9 mt -59.46 -45.4 93.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.379 -176.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' HIS . . . . . 0.493 ' O ' ' HB2' ' B' ' 56' ' ' GLN . 1.7 m-70 -60.75 -39.35 88.37 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.181 -175.22 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' HIS . . . . . 0.538 ' HB2' ' CD2' ' B' ' 17' ' ' LEU . 71.3 m-70 -69.95 -28.82 65.88 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.521 -0.472 . . . . 0.0 110.901 179.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . 0.504 HD22 HD11 ' B' ' 59' ' ' LEU . 75.5 mt -74.53 -49.46 21.89 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.216 0.532 . . . . 0.0 110.509 -177.302 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . 0.457 ' HA ' ' HB3' ' B' ' 60' ' ' ALA . 18.6 m -70.66 -30.9 44.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.547 -179.479 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' GLN . . . . . 0.493 ' HB2' ' O ' ' B' ' 52' ' ' HIS . 25.0 mt-30 -75.78 -18.53 59.49 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.048 176.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.64 ' SD ' ' HD2' ' B' ' 18' ' ' ARG . 23.1 ttm -82.83 -11.02 58.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.097 0.475 . . . . 0.0 110.337 -179.053 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 86.78 2.28 84.48 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.619 178.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.504 HD11 HD22 ' B' ' 54' ' ' LEU . 4.2 pp -87.83 -9.55 53.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.323 0.582 . . . . 0.0 109.986 179.099 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . 0.457 ' HB3' ' HA ' ' B' ' 55' ' ' VAL . . . -132.88 164.91 25.84 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.107 173.355 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -74.67 -66.17 0.78 Allowed 'General case' 0 CA--C 1.514 -0.432 0 CA-C-O 120.828 0.347 . . . . 0.0 111.002 177.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 16.9 p -157.2 173.79 16.44 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.954 -176.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' VAL . . . . . 0.429 HG13 HG21 ' B' ' 51' ' ' ILE . 91.6 t -64.95 -28.37 44.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.495 -177.169 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 13.8 pttm -63.0 -28.57 70.2 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.663 0.744 . . . . 0.0 110.876 -177.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -68.17 -20.17 64.85 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.756 -1.111 . . . . 0.0 110.855 178.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' PHE . . . . . 0.408 ' HD1' HG22 ' B' ' 33' ' ' VAL . 0.8 OUTLIER -102.09 -47.36 4.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.814 0.816 . . . . 0.0 109.07 176.18 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -134.78 87.99 2.39 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.373 -1.285 . . . . 0.0 109.693 -178.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 41.0 ttp180 -69.29 83.99 0.38 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.694 0.759 . . . . 0.0 111.032 -179.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 46.4 tttp -155.54 -50.16 0.08 Allowed 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 114.756 -1.111 . . . . 0.0 109.024 177.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -86.02 72.91 2.62 Favored Glycine 0 N--CA 1.445 -0.723 0 CA-C-N 115.481 -0.781 . . . . 0.0 112.145 179.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.46 134.27 35.96 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-O 121.288 0.566 . . . . 0.0 110.631 176.104 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 48.0 p-80 -68.93 49.28 0.07 Allowed 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 114.859 -1.064 . . . . 0.0 111.39 177.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . 0.504 HG12 HH11 ' B' ' 113' ' ' ARG . 0.6 OUTLIER -62.52 118.02 4.28 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.815 0 CA-C-O 122.54 1.162 . . . . 0.0 110.781 -177.762 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . 0.487 HG11 ' HG2' ' B' ' 109' ' ' ARG . 61.1 t -54.81 133.6 18.19 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.426 0 CA-C-N 112.368 -2.196 . . . . 0.0 109.01 173.643 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.592 ' O ' ' HG ' ' B' ' 75' ' ' LEU . 2.3 pt? -47.66 94.93 0.01 OUTLIER 'General case' 0 C--N 1.316 -0.849 0 O-C-N 124.275 0.984 . . . . 0.0 110.808 178.587 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' TRP . . . . . 0.504 ' CH2' HD22 ' B' ' 84' ' ' LEU . 44.6 m95 -95.99 108.12 20.48 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.493 -177.397 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 44.4 p -123.05 176.27 6.13 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.09 -0.959 . . . . 0.0 108.816 179.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -61.88 -42.62 99.76 Favored Glycine 0 N--CA 1.453 -0.177 0 C-N-CA 120.481 -0.866 . . . . 0.0 111.37 177.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -64.29 -49.73 70.67 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.89 0.376 . . . . 0.0 110.678 177.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.72 -33.45 75.14 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.272 -178.282 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -78.4 -39.7 38.21 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.862 -177.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 20.9 tp -61.52 -40.65 95.41 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 174.283 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . 0.455 ' O ' ' HB2' ' B' ' 87' ' ' LEU . 8.5 mm-40 -56.2 -45.03 79.98 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.336 175.183 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . 0.504 HD22 ' CH2' ' B' ' 76' ' ' TRP . 31.6 tp -60.62 -48.85 79.95 Favored 'General case' 0 C--N 1.333 -0.139 0 O-C-N 123.365 0.416 . . . . 0.0 110.854 175.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -54.47 -56.29 20.23 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 123.572 0.545 . . . . 0.0 110.782 -176.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 7.6 mtp180 -60.17 -51.49 69.38 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 120.82 -0.352 . . . . 0.0 111.23 178.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . 0.593 HD23 HG23 ' B' ' 101' ' ' ILE . 12.2 tp -53.0 -47.94 67.89 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.13 -177.079 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.424 ' O ' ' HG3' ' B' ' 92' ' ' ARG . 44.1 t80 -62.57 -59.8 4.42 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.256 -179.308 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.492 ' OE1' ' HD2' ' B' ' 92' ' ' ARG . 6.2 mm-40 -54.96 -41.58 71.3 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-O 121.482 0.658 . . . . 0.0 111.564 -176.791 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -71.14 -20.22 62.34 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 115.068 -0.969 . . . . 0.0 112.374 -175.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -118.82 13.65 13.22 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 92' ' ' ARG . . . . . 0.492 ' HD2' ' OE1' ' B' ' 89' ' ' GLU . 18.9 mtp180 -61.67 -27.49 68.72 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-O 120.883 0.373 . . . . 0.0 111.138 -179.051 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -65.93 5.7 0.46 Allowed 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.144 -0.934 . . . . 0.0 112.453 -178.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 20.1 m -104.71 142.91 33.85 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 172.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -66.57 -13.92 61.67 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 120.834 0.35 . . . . 0.0 110.947 -177.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -137.11 87.63 2.29 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 169.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 97' ' ' VAL . . . . . 0.425 HG12 ' O ' ' B' ' 130' ' ' LEU . 7.6 p -70.85 -31.24 44.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.897 -177.616 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . 0.532 ' O ' ' HG2' ' B' ' 102' ' ' MET . 5.4 mp -64.74 -32.68 74.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.491 -176.385 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 99' ' ' GLY . . . . . 0.561 ' O ' ' HD3' ' B' ' 103' ' ' LYS . . . -58.1 -45.7 93.6 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.503 -0.856 . . . . 0.0 111.07 174.358 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 18.0 m-70 -69.47 -34.72 74.77 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.578 -0.526 . . . . 0.0 109.578 178.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 101' ' ' ILE . . . . . 0.593 HG23 HD23 ' B' ' 87' ' ' LEU . 29.4 mt -59.54 -65.09 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.007 -179.344 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 102' ' ' MET . . . . . 0.532 ' HG2' ' O ' ' B' ' 98' ' ' LEU . 7.5 ptp -66.59 -19.46 65.78 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 -172.183 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 103' ' ' LYS . . . . . 0.561 ' HD3' ' O ' ' B' ' 99' ' ' GLY . 5.5 mptp? -86.36 -36.78 19.01 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.735 177.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 104' ' ' ASN . . . . . 0.43 HD22 ' N ' ' B' ' 104' ' ' ASN . 0.9 OUTLIER -94.01 -4.95 48.64 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.211 0.448 . . . . 0.0 112.211 -174.935 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 105' ' ' ILE . . . . . 0.532 HG13 ' H ' ' B' ' 107' ' ' ALA . 7.0 tp -91.73 148.66 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.358 0.599 . . . . 0.0 110.946 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 106' ' ' THR . . . . . 0.454 ' N ' HG13 ' B' ' 105' ' ' ILE . 6.1 t -63.73 -21.7 66.53 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.994 -1.003 . . . . 0.0 111.845 -177.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . 0.532 ' H ' HG13 ' B' ' 105' ' ' ILE . . . -112.32 128.68 56.35 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.517 -178.162 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 108' ' ' LYS . . . . . 0.481 ' HA ' ' HE3' ' B' ' 108' ' ' LYS . 0.0 OUTLIER -77.73 101.8 6.83 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.492 0.663 . . . . 0.0 109.82 -179.299 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 109' ' ' ARG . . . . . 0.487 ' HG2' HG11 ' B' ' 74' ' ' VAL . 23.5 mtt85 -105.53 160.6 15.05 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.045 -178.185 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 42.0 t -98.37 165.41 11.87 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.549 171.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 111' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' B' ' 111' ' ' ARG . 12.8 mmt85 -58.09 -44.2 87.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.406 -176.477 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -61.06 -25.22 66.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.643 -178.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . 0.604 ' NE ' ' HA ' ' B' ' 113' ' ' ARG . 2.3 mmp_? -81.31 -32.46 33.08 Favored 'General case' 0 CA--C 1.509 -0.633 0 CA-C-O 121.315 0.579 . . . . 0.0 110.871 -178.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 114' ' ' ILE . . . . . 0.435 ' HB ' HD23 ' B' ' 98' ' ' LEU . 57.0 mt -83.66 -42.61 17.54 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.158 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.6 -174.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 115' ' ' VAL . . . . . 0.57 ' O ' HD23 ' B' ' 119' ' ' LEU . 34.6 m -63.29 -38.34 81.87 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.134 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.473 179.045 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -61.73 -48.21 81.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.249 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . 0.518 ' O ' HD13 ' B' ' 121' ' ' LEU . 0.4 OUTLIER -70.73 -29.62 65.93 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 120.389 -0.525 . . . . 0.0 111.659 -173.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . 0.44 ' HB3' HG22 ' B' ' 124' ' ' VAL . 13.3 mt -58.54 -46.35 87.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.905 0.383 . . . . 0.0 110.732 178.001 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 119' ' ' LEU . . . . . 0.57 HD23 ' O ' ' B' ' 115' ' ' VAL . 4.3 mm? -63.42 -32.13 73.48 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.561 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -73.12 -40.25 65.08 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.76 -177.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 121' ' ' LEU . . . . . 0.518 HD13 ' O ' ' B' ' 117' ' ' LYS . 9.7 mp -73.97 -24.27 59.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.146 174.401 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 77.56 30.77 52.56 Favored Glycine 0 N--CA 1.444 -0.771 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.427 -174.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . 0.413 ' HB3' ' CE1' ' B' ' 88' ' ' PHE . 59.1 mt -75.07 -19.98 59.74 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.861 0.839 . . . . 0.0 109.238 179.108 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 124' ' ' VAL . . . . . 0.445 HG21 ' CD2' ' B' ' 130' ' ' LEU . 30.6 m -141.14 170.43 13.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 114.31 -1.314 . . . . 0.0 110.107 176.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -99.0 -22.42 15.74 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.789 177.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 126' ' ' GLU . . . . . 0.518 ' OE2' ' HB3' ' B' ' 141' ' ' SER . 5.5 pt-20 -169.09 -179.63 3.67 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.336 -0.847 . . . . 0.0 108.989 -179.553 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 127' ' ' ARG . . . . . 0.712 ' HA ' HD21 ' B' ' 130' ' ' LEU . 48.4 mtp180 -72.54 -21.86 61.1 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -177.06 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 128' ' ' ARG . . . . . 0.445 ' H ' ' HG3' ' B' ' 126' ' ' GLU . 4.5 ttm180 -56.97 -38.49 73.05 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.818 0.342 . . . . 0.0 111.458 174.795 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -71.08 -15.84 62.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.839 -0.619 . . . . 0.0 112.584 -171.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 130' ' ' LEU . . . . . 0.712 HD21 ' HA ' ' B' ' 127' ' ' ARG . 0.1 OUTLIER -95.0 2.54 55.36 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.312 0.577 . . . . 0.0 110.709 -177.675 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 131' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -127.23 91.35 3.3 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 107.926 -1.138 . . . . 0.0 107.926 173.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -76.62 59.7 1.56 Allowed 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 113.636 0.976 . . . . 0.0 113.636 -165.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . 0.593 ' O ' ' HD2' ' B' ' 134' ' ' ARG . 41.0 pttt -144.68 69.15 1.25 Allowed 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 122.257 1.027 . . . . 0.0 111.473 160.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 134' ' ' ARG . . . . . 0.593 ' HD2' ' O ' ' B' ' 133' ' ' LYS . 6.0 mpt_? -144.82 71.7 1.31 Allowed 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 104.582 -2.377 . . . . 0.0 104.582 157.547 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -116.16 87.31 2.65 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 114.717 -1.128 . . . . 0.0 111.138 -176.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -134.93 -174.07 3.49 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.187 178.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 137' ' ' LYS . . . . . 0.783 ' HD3' ' H ' ' B' ' 137' ' ' LYS . 0.0 OUTLIER -71.11 82.63 0.7 Allowed 'General case' 0 CA--C 1.548 0.868 0 CA-C-O 122.624 1.202 . . . . 0.0 111.754 -179.77 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.27 168.94 18.88 Favored 'General case' 0 C--N 1.314 -0.958 0 O-C-N 121.113 -0.992 . . . . 0.0 111.239 174.705 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . -78.25 -174.53 3.74 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.435 177.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 13.0 p -62.0 139.69 58.4 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.475 178.081 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 141' ' ' SER . . . . . 0.518 ' HB3' ' OE2' ' B' ' 126' ' ' GLU . 32.8 m . . . . . 0 C--O 1.248 0.994 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.516 -177.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 25.4 t70 . . . . . 0 N--CA 1.484 1.264 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . 0.439 ' HA ' ' HB3' ' B' ' 44' ' ' PRO . 22.0 Cg_exo -67.84 30.93 0.14 Allowed 'Trans proline' 0 C--N 1.366 1.448 0 C-N-CA 122.553 2.168 . . . . 0.0 114.583 -176.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 8.1 t -147.2 26.0 1.09 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.664 0.745 . . . . 0.0 109.681 175.31 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . 0.47 ' NE ' ' HA ' ' B' ' 4' ' ' ARG . 5.7 mmp_? -88.78 -164.07 1.08 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.329 176.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 16.0 tpp180 -43.82 112.45 0.39 Allowed 'General case' 0 N--CA 1.464 0.25 0 O-C-N 123.773 0.67 . . . . 0.0 111.103 177.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.08 146.82 90.41 Favored Pre-proline 0 N--CA 1.449 -0.502 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.988 -176.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_endo -91.6 -177.11 0.93 Allowed 'Trans proline' 0 N--CA 1.448 -1.185 0 C-N-CA 123.11 2.54 . . . . 0.0 111.694 173.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 3.9 p -94.6 140.39 29.92 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.659 177.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' TRP . . . . . 0.411 ' CH2' HD13 ' B' ' 17' ' ' LEU . 32.2 m95 -74.78 166.33 23.78 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.566 -179.586 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 47.2 m -135.74 153.58 77.44 Favored Pre-proline 0 C--N 1.319 -0.73 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 178.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -41.31 -44.71 5.72 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 123.632 2.888 . . . . 0.0 113.928 -175.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . 0.466 ' H ' ' CD ' ' B' ' 12' ' ' GLU . 1.7 mp0 -58.0 -50.38 73.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.132 0.491 . . . . 0.0 110.989 179.751 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.441 ' CD ' HG21 ' B' ' 42' ' ' THR . 6.3 tp10 -75.71 -31.49 59.68 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.6 -175.173 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -70.26 -34.4 72.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.202 0.525 . . . . 0.0 109.85 177.077 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . 0.404 ' O ' ' HB2' ' B' ' 19' ' ' GLU . . . -66.61 -33.81 76.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.943 -0.572 . . . . 0.0 109.897 173.644 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.531 ' O ' ' HB3' ' B' ' 19' ' ' GLU . 14.3 t-160 -74.12 -27.25 60.78 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.23 176.027 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.455 HD21 ' HB2' ' B' ' 53' ' ' HIS . 34.6 tp -67.37 -46.62 72.78 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.234 -0.439 . . . . 0.0 109.992 177.08 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . 0.737 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 38.3 ptt180 -72.42 -28.25 62.85 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 175.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . 0.531 ' HB3' ' O ' ' B' ' 16' ' ' HIS . 8.1 tp10 -53.54 -51.56 62.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.294 179.637 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.453 HD11 ' HB2' ' B' ' 39' ' ' HIS . 0.4 OUTLIER -75.75 -26.82 57.77 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.167 -0.924 . . . . 0.0 111.245 -178.481 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -71.09 -50.37 34.4 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-O 121.035 0.445 . . . . 0.0 110.114 179.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.737 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 51.7 mt -63.14 -25.75 68.5 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.285 -178.243 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.17 -54.75 11.51 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.477 178.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -96.14 2.57 53.24 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 -171.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -77.16 -12.96 60.01 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.458 178.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -93.52 9.79 35.21 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.863 0.839 . . . . 0.0 110.019 178.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 31.2 t -108.32 107.49 22.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.678 -176.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -79.89 148.1 31.43 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.093 177.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.59 7.24 87.72 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.138 -179.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . 0.467 ' HG2' ' N ' ' B' ' 31' ' ' ASP . 36.7 tt0 -131.39 153.2 49.92 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.135 0.493 . . . . 0.0 111.019 -178.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . 0.467 ' N ' ' HG2' ' B' ' 30' ' ' GLN . 38.3 m-20 -86.99 115.39 24.34 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.862 171.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.455 ' O ' HG13 ' B' ' 36' ' ' ILE . 8.1 p -65.96 -34.58 71.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.148 178.216 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . 0.694 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 1.3 p -58.36 -51.15 74.81 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.784 -177.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -65.78 -29.26 69.72 Favored 'General case' 0 CA--C 1.521 -0.149 0 C-N-CA 121.11 -0.236 . . . . 0.0 111.504 -178.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . 0.424 ' HB2' ' NE2' ' B' ' 30' ' ' GLN . . . -63.78 -46.27 86.01 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.558 0.695 . . . . 0.0 110.177 176.578 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.466 HD13 HD11 ' B' ' 54' ' ' LEU . 28.6 mt -70.39 -62.43 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.096 -176.675 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.694 ' HG ' ' O ' ' B' ' 33' ' ' VAL . 2.9 pp -57.89 -26.48 62.2 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 112.958 0.725 . . . . 0.0 112.958 -171.671 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . 0.574 ' N ' HD12 ' B' ' 37' ' ' LEU . . . -88.35 -41.67 12.7 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 -176.688 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' HIS . . . . . 0.453 ' HB2' HD11 ' B' ' 20' ' ' LEU . 56.5 m-70 -75.57 -30.37 59.65 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.492 -0.483 . . . . 0.0 111.244 -175.64 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.408 ' HB3' ' CE1' ' B' ' 16' ' ' HIS . 1.0 OUTLIER -103.4 80.54 1.83 Allowed 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 122.263 1.03 . . . . 0.0 110.948 172.241 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -89.21 39.81 0.96 Allowed 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.177 -0.919 . . . . 0.0 109.366 176.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . 0.441 HG21 ' CD ' ' B' ' 13' ' ' GLU . 2.6 t -88.72 -28.59 20.45 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.43 -1.259 . . . . 0.0 110.73 -177.285 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . 0.564 ' O ' ' HD3' ' B' ' 45' ' ' ARG . 0.2 OUTLIER -112.66 126.08 28.9 Favored Pre-proline 0 C--N 1.326 -0.448 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 -179.73 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . 0.439 ' HB3' ' HA ' ' B' ' 2' ' ' PRO . 53.2 Cg_endo -76.8 102.73 1.65 Allowed 'Trans proline' 0 N--CA 1.46 -0.452 0 C-N-CA 121.505 1.47 . . . . 0.0 111.171 171.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.564 ' HD3' ' O ' ' B' ' 43' ' ' VAL . 0.0 OUTLIER -148.06 174.39 11.97 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.759 -176.325 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 14.9 t -83.05 161.3 21.73 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 172.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . 0.462 ' HD2' HD22 ' B' ' 37' ' ' LEU . 18.6 mmt180 -68.41 -28.42 67.07 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.3 0.571 . . . . 0.0 110.304 -175.096 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.405 ' HD3' ' N ' ' B' ' 49' ' ' GLN . 0.4 OUTLIER -55.54 -32.08 62.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.812 176.846 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.407 ' HB2' ' HG3' ' B' ' 45' ' ' ARG . 41.6 mt-30 -64.3 -44.33 91.94 Favored 'General case' 0 CA--C 1.512 -0.517 0 N-CA-C 111.556 0.206 . . . . 0.0 111.556 -177.236 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.541 HD11 ' CZ ' ' B' ' 45' ' ' ARG . 4.3 mp -61.85 -49.04 85.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 120.968 0.413 . . . . 0.0 110.037 -177.219 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.482 HG23 ' CD2' ' B' ' 66' ' ' PHE . 71.6 mt -57.6 -47.29 85.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.119 178.615 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' HIS . . . . . 0.634 ' HB3' ' NE2' ' B' ' 56' ' ' GLN . 4.4 m-70 -74.1 -48.49 29.28 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 114.665 -1.152 . . . . 0.0 112.586 -172.291 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' HIS . . . . . 0.455 ' HB2' HD21 ' B' ' 17' ' ' LEU . 13.3 m-70 -54.89 -33.75 62.3 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 120.937 0.399 . . . . 0.0 111.195 -176.256 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . 0.546 HD22 HD11 ' B' ' 59' ' ' LEU . 74.3 mt -74.19 -47.34 36.3 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.827 -177.307 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . 0.435 HG11 ' C ' ' B' ' 62' ' ' SER . 34.7 m -72.45 -22.49 20.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.156 0.503 . . . . 0.0 110.306 178.314 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' GLN . . . . . 0.634 ' NE2' ' HB3' ' B' ' 52' ' ' HIS . 50.8 mt-30 -71.56 -24.52 61.94 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.221 175.535 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 73.4 mtm -91.34 2.77 56.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.95 0.405 . . . . 0.0 110.804 177.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 67.98 14.74 66.2 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 121.094 -0.574 . . . . 0.0 112.876 176.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.546 HD11 HD22 ' B' ' 54' ' ' LEU . 4.0 pp -97.17 -20.08 18.19 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.566 0.698 . . . . 0.0 109.871 178.378 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . 0.441 ' N ' HD12 ' B' ' 59' ' ' LEU . . . -112.58 150.49 31.29 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.248 171.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -68.09 -66.74 0.53 Allowed 'General case' 0 C--N 1.322 -0.621 0 O-C-N 123.334 0.396 . . . . 0.0 111.715 -174.069 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . 0.435 ' C ' HG11 ' B' ' 55' ' ' VAL . 14.6 m -154.71 176.58 12.26 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.09 -0.504 . . . . 0.0 109.772 -174.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 47.0 t -63.83 -27.73 43.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.43 0.634 . . . . 0.0 109.6 174.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . 0.405 ' HB3' ' HG2' ' B' ' 68' ' ' ARG . 8.6 mtmp? -61.23 -25.19 66.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.204 178.29 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -66.02 -36.93 84.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.675 0.75 . . . . 0.0 109.983 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' PHE . . . . . 0.482 ' CD2' HG23 ' B' ' 51' ' ' ILE . 38.6 m-85 -91.07 -46.98 7.81 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.348 -179.185 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -150.3 95.74 2.31 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.737 -171.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' ARG . . . . . 0.405 ' HG2' ' HB3' ' B' ' 64' ' ' LYS . 74.0 mtm180 -70.0 82.08 0.49 Allowed 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.947 0.404 . . . . 0.0 111.209 173.162 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 25.9 pttm -132.78 -32.27 1.27 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.851 172.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -88.74 29.97 5.59 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.249 177.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -69.29 163.69 24.5 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 176.507 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -73.59 -39.24 64.76 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 169.386 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . 0.426 HG23 ' HD1' ' B' ' 76' ' ' TRP . 0.4 OUTLIER -14.58 125.66 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 O-C-N 125.507 1.754 . . . . 0.0 115.526 -164.509 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . 0.453 HG21 ' HG2' ' B' ' 109' ' ' ARG . 11.7 m -54.95 148.98 2.6 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.775 0 CA-C-N 113.276 -1.784 . . . . 0.0 109.827 179.373 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.449 ' O ' HD12 ' B' ' 75' ' ' LEU . 0.4 OUTLIER -49.85 91.74 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.94 0 O-C-N 123.92 0.763 . . . . 0.0 112.539 179.745 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' TRP . . . . . 0.565 ' CH2' HD22 ' B' ' 84' ' ' LEU . 64.8 m95 -92.22 109.9 21.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.015 0.436 . . . . 0.0 111.008 176.649 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' THR . . . . . 0.589 ' O ' ' HG3' ' B' ' 81' ' ' GLU . 72.6 p -107.11 164.64 11.98 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.984 177.072 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -53.52 -43.75 67.28 Favored Glycine 0 CA--C 1.519 0.313 0 C-N-CA 121.37 -0.443 . . . . 0.0 112.846 -177.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -64.65 -41.65 95.97 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.661 0.267 . . . . 0.0 110.536 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -69.31 -31.7 70.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.798 -178.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 81' ' ' GLU . . . . . 0.589 ' HG3' ' O ' ' B' ' 77' ' ' THR . 48.0 mt-10 -63.66 -36.76 84.9 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 174.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 20.4 tp -69.7 -42.38 74.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.304 175.268 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -56.98 -43.57 81.82 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.263 177.273 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . 0.565 HD22 ' CH2' ' B' ' 76' ' ' TRP . 58.2 tp -57.36 -53.06 62.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.945 175.343 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . 0.419 ' O ' ' HG3' ' B' ' 89' ' ' GLU . 0.0 OUTLIER -58.67 -48.68 80.25 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.385 -177.832 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 45.0 mtm180 -61.83 -52.28 64.81 Favored 'General case' 0 C--N 1.333 -0.139 0 C-N-CA 121.206 -0.198 . . . . 0.0 111.426 -177.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . 0.538 HD21 HD22 ' B' ' 104' ' ' ASN . 8.8 mp -61.68 -41.32 97.4 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.737 0.303 . . . . 0.0 111.278 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.483 ' O ' ' HB2' ' B' ' 92' ' ' ARG . 27.5 t80 -52.08 -42.76 63.46 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.731 178.507 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.419 ' HG3' ' O ' ' B' ' 85' ' ' GLN . 37.2 mt-10 -80.37 -37.07 33.07 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.81 0.338 . . . . 0.0 110.777 179.203 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -65.97 -41.43 91.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.165 -175.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -99.29 14.52 29.28 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.016 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 92' ' ' ARG . . . . . 0.763 ' HA ' HG22 ' B' ' 97' ' ' VAL . 44.3 ttt180 -69.89 -27.36 64.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.956 0.408 . . . . 0.0 111.425 -177.281 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -86.78 13.31 9.04 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.096 0.474 . . . . 0.0 111.064 -177.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 78.8 p -104.63 -177.08 3.26 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 177.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -67.21 -41.47 85.73 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.809 0.338 . . . . 0.0 111.458 -176.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 96' ' ' ASP . . . . . 0.433 ' O ' ' HD2' ' B' ' 100' ' ' HIS . 12.7 t0 -140.24 117.01 10.94 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.672 -177.041 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 97' ' ' VAL . . . . . 0.763 HG22 ' HA ' ' B' ' 92' ' ' ARG . 46.0 t -70.43 -54.11 19.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.941 0.4 . . . . 0.0 111.141 -178.567 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . 0.428 ' HG ' HG21 ' B' ' 114' ' ' ILE . 7.8 mp -59.07 -39.77 83.12 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.288 -173.436 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -56.61 -39.31 85.3 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.918 -0.658 . . . . 0.0 111.552 178.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . 0.433 ' HD2' ' O ' ' B' ' 96' ' ' ASP . 69.9 m-70 -80.92 -27.28 36.22 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.747 0.308 . . . . 0.0 110.331 -178.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 101' ' ' ILE . . . . . 0.442 ' O ' HG22 ' B' ' 105' ' ' ILE . 53.6 mt -60.48 -61.42 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.525 176.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 2.2 ptp -65.01 -27.44 68.82 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -175.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -72.46 -41.06 66.51 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 121.101 -0.24 . . . . 0.0 111.368 178.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 104' ' ' ASN . . . . . 0.538 HD22 HD21 ' B' ' 87' ' ' LEU . 12.6 t30 -94.96 -13.91 24.9 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 -171.23 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 105' ' ' ILE . . . . . 0.534 HG12 HH21 ' B' ' 109' ' ' ARG . 10.6 tp -90.21 147.74 5.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 C-N-CA 119.933 -0.707 . . . . 0.0 110.958 -177.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 5.2 t -67.91 -21.86 65.11 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 114.64 -1.163 . . . . 0.0 112.147 -174.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . 0.499 ' O ' HG23 ' B' ' 105' ' ' ILE . . . -101.37 127.44 48.0 Favored 'General case' 0 CA--C 1.514 -0.413 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 177.118 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 108' ' ' LYS . . . . . 0.41 ' HA ' ' HE2' ' B' ' 108' ' ' LYS . 10.6 mmpt? -74.44 101.88 4.27 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 178.066 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 109' ' ' ARG . . . . . 0.534 HH21 HG12 ' B' ' 105' ' ' ILE . 41.8 mtm105 -116.38 121.31 41.53 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.591 -175.297 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 110' ' ' SER . . . . . 0.475 ' O ' HG13 ' B' ' 114' ' ' ILE . 23.8 t -70.63 156.09 39.9 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.549 -176.163 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 31.5 mmm-85 -55.22 -47.64 75.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 114.937 -1.029 . . . . 0.0 111.398 -173.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -61.33 -35.84 78.5 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.068 -174.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . 0.409 ' CZ ' ' HB3' ' B' ' 110' ' ' SER . 0.0 OUTLIER -82.58 -25.16 33.52 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.691 -177.684 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 114' ' ' ILE . . . . . 0.475 HG13 ' O ' ' B' ' 110' ' ' SER . 61.4 mt -71.41 -44.71 71.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 176.053 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 115' ' ' VAL . . . . . 0.413 HG22 ' CD1' ' B' ' 130' ' ' LEU . 33.2 t -55.8 -53.65 35.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.215 177.713 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -59.45 -38.8 81.69 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.469 -176.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . 0.514 ' HD3' HD13 ' B' ' 121' ' ' LEU . 5.8 tmtm? -72.78 -31.65 65.02 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.758 -176.04 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . 0.469 HD12 HD22 ' B' ' 130' ' ' LEU . 13.3 mt -61.59 -52.23 65.27 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 121.227 0.537 . . . . 0.0 110.358 173.24 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 119' ' ' LEU . . . . . 0.402 HD23 ' O ' ' B' ' 115' ' ' VAL . 4.6 mm? -57.49 -34.91 69.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.833 -1.076 . . . . 0.0 110.585 -179.123 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -70.0 -41.71 73.99 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.223 -0.899 . . . . 0.0 111.171 -178.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 121' ' ' LEU . . . . . 0.514 HD13 ' HD3' ' B' ' 117' ' ' LYS . 7.8 mp -69.68 -25.22 63.78 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.956 175.094 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 79.71 30.44 43.98 Favored Glycine 0 N--CA 1.44 -1.092 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 -171.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . 0.462 HD12 HD22 ' B' ' 118' ' ' LEU . 33.6 mt -74.37 -24.97 59.23 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-O 121.613 0.72 . . . . 0.0 109.099 178.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 124' ' ' VAL . . . . . 0.449 HG21 HD21 ' B' ' 130' ' ' LEU . 18.6 m -141.0 172.58 10.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 114.52 -1.218 . . . . 0.0 109.942 177.02 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -116.95 -6.86 11.43 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.259 178.205 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -161.97 162.87 29.16 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.319 -0.855 . . . . 0.0 109.358 -175.039 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 127' ' ' ARG . . . . . 0.792 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 82.4 mtt180 -77.92 -19.96 53.71 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.269 0.557 . . . . 0.0 110.803 -179.416 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 128' ' ' ARG . . . . . 0.671 ' NH1' ' H ' ' B' ' 141' ' ' SER . 32.6 ttp180 -58.47 -35.74 72.64 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.069 176.326 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -75.01 -7.09 52.68 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.933 -0.576 . . . . 0.0 112.469 -174.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 130' ' ' LEU . . . . . 0.792 ' HG ' ' O ' ' B' ' 127' ' ' ARG . 0.2 OUTLIER -87.38 2.77 49.4 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.733 0.777 . . . . 0.0 109.134 179.38 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 131' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -134.49 129.32 35.0 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.597 -1.183 . . . . 0.0 108.04 179.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -64.61 102.81 0.6 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.301 0.572 . . . . 0.0 110.827 -177.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 53.8 tttp -128.64 161.82 28.77 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.148 -178.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 134' ' ' ARG . . . . . 0.55 ' HD3' ' N ' ' B' ' 134' ' ' ARG . 0.0 OUTLIER -126.33 79.57 1.86 Allowed 'General case' 0 CA--C 1.514 -0.415 0 CA-C-O 121.342 0.591 . . . . 0.0 109.545 -176.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 135' ' ' GLN . . . . . 0.471 ' CD ' ' HD2' ' B' ' 128' ' ' ARG . 5.4 pm0 -111.84 151.07 29.51 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.686 177.331 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -103.85 -153.08 0.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 177.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 137' ' ' LYS . . . . . 0.678 ' HE3' ' O ' ' B' ' 137' ' ' LYS . 0.1 OUTLIER -65.89 84.74 0.08 Allowed 'General case' 0 C--O 1.218 -0.595 0 CA-C-O 121.924 0.868 . . . . 0.0 111.376 179.73 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 138' ' ' LEU . . . . . 0.432 HD12 ' O ' ' B' ' 139' ' ' ALA . 3.1 pp -141.92 170.71 15.21 Favored 'General case' 0 C--N 1.311 -1.086 0 O-C-N 121.416 -0.803 . . . . 0.0 110.536 176.145 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 139' ' ' ALA . . . . . 0.432 ' O ' HD12 ' B' ' 138' ' ' LEU . . . -62.49 174.97 0.85 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 123.33 0.394 . . . . 0.0 111.326 -177.208 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 18.9 t -64.4 98.21 0.23 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.882 0.372 . . . . 0.0 110.135 -178.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 141' ' ' SER . . . . . 0.671 ' H ' ' NH1' ' B' ' 128' ' ' ARG . 9.1 t . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.092 -0.956 . . . . 0.0 109.181 -177.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 . . . . . 0 N--CA 1.482 1.158 0 N-CA-C 110.722 -0.103 . . . . 0.0 110.722 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . 0.539 ' HB3' HG23 ' B' ' 46' ' ' THR . 5.4 Cg_endo -48.86 -68.35 0.09 OUTLIER 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 123.752 2.968 . . . . 0.0 113.049 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 14.6 m -126.48 -49.68 1.52 Allowed 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 175.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 49.3 mtp180 -131.22 176.84 7.93 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.043 -0.981 . . . . 0.0 108.391 172.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -52.01 118.37 3.41 Favored 'General case' 0 C--N 1.33 -0.25 0 O-C-N 123.609 0.568 . . . . 0.0 109.668 177.211 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.33 132.93 87.54 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-O 121.231 0.539 . . . . 0.0 112.153 -174.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -92.87 -177.8 0.77 Allowed 'Trans proline' 0 N--CA 1.452 -0.933 0 C-N-CA 123.141 2.561 . . . . 0.0 112.652 178.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 3.0 p -92.63 158.16 16.11 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.874 0.368 . . . . 0.0 111.557 177.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 77.6 m95 -89.29 112.9 24.08 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.681 178.215 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 15.3 t -71.11 148.22 94.04 Favored Pre-proline 0 C--N 1.321 -0.642 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 173.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_exo -43.94 -49.0 8.72 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 123.156 2.57 . . . . 0.0 113.375 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -57.92 -38.19 75.44 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.881 0.372 . . . . 0.0 110.875 178.121 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.417 ' CD ' HG21 ' B' ' 42' ' ' THR . 3.8 tp10 -72.05 -35.01 69.19 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.289 -177.381 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -64.28 -44.34 92.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.161 0.505 . . . . 0.0 109.744 174.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . 0.523 ' O ' ' HB2' ' B' ' 19' ' ' GLU . . . -67.06 -29.54 69.35 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.582 177.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.48 ' CE1' ' HB3' ' B' ' 40' ' ' LEU . 19.8 t-160 -74.35 -31.94 62.61 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.583 176.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.521 HD11 HG23 ' B' ' 50' ' ' ILE . 24.4 tp -66.86 -41.77 86.79 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 179.187 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . 0.831 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 15.3 ptm180 -77.4 -32.37 54.75 Favored 'General case' 0 N--CA 1.443 -0.794 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 176.135 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . 0.523 ' HB2' ' O ' ' B' ' 15' ' ' ALA . 6.8 tp10 -51.57 -56.89 10.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.615 0.722 . . . . 0.0 110.509 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.98 -31.44 71.15 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.823 -178.529 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' TYR . . . . . 0.463 ' O ' ' HB3' ' B' ' 25' ' ' LYS . 92.2 t80 -68.27 -46.86 69.26 Favored 'General case' 0 CA--C 1.513 -0.45 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 -179.538 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.831 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 62.1 mt -59.25 -24.64 63.36 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.715 -179.405 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.92 -31.25 35.16 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 -178.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 -127.81 17.85 6.78 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -174.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.529 ' HD3' ' HA ' ' B' ' 22' ' ' LEU . 18.6 pttm -72.22 -35.02 68.77 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -172.285 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -103.49 14.6 30.95 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.86 0.362 . . . . 0.0 111.457 -174.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 45.7 t -87.81 106.43 16.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 173.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -93.16 148.09 22.32 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.162 -175.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 92.84 -8.96 76.19 Favored Glycine 0 N--CA 1.45 -0.424 0 N-CA-C 110.741 -0.944 . . . . 0.0 110.741 -174.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -115.45 149.2 38.43 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.012 -0.594 . . . . 0.0 110.477 178.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -69.45 106.47 2.97 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.032 171.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.667 ' O ' HG12 ' B' ' 36' ' ' ILE . 7.6 p -68.0 -42.92 85.79 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 C-N-CA 119.975 -0.69 . . . . 0.0 109.749 178.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . 0.735 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 11.7 p -67.21 -40.61 85.42 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.492 0 C-N-CA 120.989 -0.284 . . . . 0.0 110.536 -174.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -69.9 -32.44 70.75 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 -178.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . 0.455 ' O ' ' HD2' ' B' ' 39' ' ' HIS . . . -59.47 -41.82 90.61 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.141 0.496 . . . . 0.0 109.954 173.339 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.667 HG12 ' O ' ' B' ' 32' ' ' VAL . 6.8 mm -72.06 -64.79 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.403 -177.678 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.735 ' HG ' ' O ' ' B' ' 33' ' ' VAL . 2.9 pp -63.57 -25.58 68.3 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 -170.083 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . 0.522 ' N ' HD12 ' B' ' 37' ' ' LEU . . . -82.74 -38.75 22.84 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -178.498 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' HIS . . . . . 0.455 ' HD2' ' O ' ' B' ' 35' ' ' ALA . 68.0 m-70 -75.35 -29.48 59.93 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.191 -0.603 . . . . 0.0 110.849 -176.627 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.577 ' HG ' ' O ' ' B' ' 36' ' ' ILE . 0.8 OUTLIER -98.65 80.24 2.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.932 0.873 . . . . 0.0 110.492 172.487 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -82.2 38.52 0.54 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.753 0.787 . . . . 0.0 109.956 179.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . 0.433 HG22 ' HB2' ' B' ' 40' ' ' LEU . 4.5 t -94.32 -21.44 18.99 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 114.595 -1.184 . . . . 0.0 109.702 -179.09 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 4.8 m -128.04 113.33 20.22 Favored Pre-proline 0 N--CA 1.451 -0.378 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.271 -179.312 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -77.92 89.5 1.33 Allowed 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 122.138 1.892 . . . . 0.0 111.026 175.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 79.4 mtt-85 -133.02 176.97 8.02 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.473 -173.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . 0.584 ' OG1' ' HG2' ' B' ' 49' ' ' GLN . 43.2 p -78.7 169.01 18.9 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.013 177.524 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . 0.433 ' O ' HG13 ' B' ' 51' ' ' ILE . 6.0 mmt180 -72.72 -23.99 60.92 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 179.177 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -68.63 -38.39 80.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 114.98 -1.009 . . . . 0.0 111.485 -178.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.584 ' HG2' ' OG1' ' B' ' 46' ' ' THR . 13.9 mm100 -62.54 -46.42 88.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.863 -173.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.521 HG23 HD11 ' B' ' 17' ' ' LEU . 2.4 mp -63.32 -48.53 86.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 121.101 -0.24 . . . . 0.0 110.648 179.678 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.433 HG13 ' O ' ' B' ' 47' ' ' ARG . 70.1 mt -51.85 -46.96 40.95 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-O 121.599 0.714 . . . . 0.0 110.433 178.389 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -65.44 -49.38 69.37 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.899 -1.046 . . . . 0.0 113.038 -172.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' HIS . . . . . 0.428 ' O ' ' HB2' ' B' ' 57' ' ' MET . 70.6 m-70 -61.65 -27.93 69.02 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 118.414 0.552 . . . . 0.0 111.625 -177.361 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . 0.475 HD22 HD11 ' B' ' 59' ' ' LEU . 65.1 mt -81.87 -45.44 15.49 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.271 -174.465 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . 0.516 ' HA ' ' HB3' ' B' ' 60' ' ' ALA . 9.8 m -72.14 -25.64 23.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.189 0.519 . . . . 0.0 110.287 178.495 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -80.69 -18.48 47.79 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.122 177.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.428 ' HB2' ' O ' ' B' ' 53' ' ' HIS . 31.3 ttm -82.97 -8.1 59.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.058 0.456 . . . . 0.0 110.25 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 85.79 -1.6 87.99 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.616 177.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.475 HD11 HD22 ' B' ' 54' ' ' LEU . 3.9 pp -86.04 -22.97 26.95 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.147 0.499 . . . . 0.0 110.599 -179.509 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . 0.516 ' HB3' ' HA ' ' B' ' 55' ' ' VAL . . . -112.69 163.14 14.91 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.097 175.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -71.89 -66.39 0.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.153 0.501 . . . . 0.0 110.655 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . 0.456 ' OG ' ' HE3' ' B' ' 64' ' ' LYS . 73.5 p -164.29 177.91 7.93 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.793 -175.684 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 2.5 t -57.02 -36.8 52.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.841 -178.045 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . 0.46 ' HA ' ' HA ' ' B' ' 68' ' ' ARG . 0.0 OUTLIER -64.83 -17.58 64.37 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.168 -174.774 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -73.86 -32.36 63.6 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.112 0.482 . . . . 0.0 110.172 179.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' PHE . . . . . 0.425 ' HD2' ' HB ' ' B' ' 33' ' ' VAL . 1.1 m-85 -90.52 -48.93 6.79 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-O 121.761 0.791 . . . . 0.0 109.092 176.714 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' GLN . . . . . 0.423 ' O ' ' HA ' ' B' ' 64' ' ' LYS . 75.6 mt-30 -144.16 113.1 6.76 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 114.247 -1.342 . . . . 0.0 108.946 -178.063 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' ARG . . . . . 0.46 ' HA ' ' HA ' ' B' ' 64' ' ' LYS . 29.1 ttm180 -65.22 82.97 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.414 0.626 . . . . 0.0 110.185 178.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 8.5 tmtt? -76.73 98.75 4.87 Favored 'General case' 0 N--CA 1.438 -1.045 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 175.063 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -32.57 114.32 0.08 OUTLIER Glycine 0 C--N 1.332 0.356 0 O-C-N 125.047 1.467 . . . . 0.0 112.667 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . 0.427 ' C ' ' H ' ' B' ' 73' ' ' ILE . 0.4 OUTLIER -59.54 131.23 50.32 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 113.496 0.924 . . . . 0.0 113.496 -168.134 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 44.6 p-80 -74.87 30.64 0.09 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.353 -1.294 . . . . 0.0 110.712 176.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . 0.427 ' H ' ' C ' ' B' ' 71' ' ' THR . 3.5 mm -66.23 112.35 2.05 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.725 0 CA-C-O 122.188 0.994 . . . . 0.0 111.947 -173.345 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . 0.413 HG21 ' HD2' ' B' ' 109' ' ' ARG . 0.1 OUTLIER -54.12 122.62 3.98 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.066 0 CA-C-N 113.509 -1.678 . . . . 0.0 107.476 159.317 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 3.8 pp -48.62 137.51 11.84 Favored 'General case' 0 N--CA 1.463 0.219 0 O-C-N 123.775 0.672 . . . . 0.0 111.84 -166.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' TRP . . . . . 0.499 ' CZ2' ' HG2' ' B' ' 117' ' ' LYS . 56.1 m95 -125.41 142.98 51.2 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.3 -0.863 . . . . 0.0 111.022 -178.104 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' THR . . . . . 0.532 ' O ' ' HG3' ' B' ' 81' ' ' GLU . 79.6 p -125.7 161.67 26.77 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 172.485 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -59.12 -33.86 76.78 Favored Glycine 0 C--O 1.235 0.2 0 C-N-CA 120.516 -0.85 . . . . 0.0 111.767 177.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -72.77 -29.79 63.59 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 120.864 0.364 . . . . 0.0 110.374 177.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -75.88 -34.92 60.02 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 178.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 81' ' ' GLU . . . . . 0.638 ' O ' ' HB2' ' B' ' 85' ' ' GLN . 46.1 mt-10 -60.33 -37.17 79.77 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.782 179.612 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.502 ' O ' ' HG3' ' B' ' 86' ' ' ARG . 4.6 pp -83.8 -24.02 31.19 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.744 176.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -65.16 -57.21 9.13 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 179.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . 0.617 HD21 HG23 ' B' ' 114' ' ' ILE . 21.7 tp -69.36 -25.48 64.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.107 179.372 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . 0.638 ' HB2' ' O ' ' B' ' 81' ' ' GLU . 0.7 OUTLIER -60.04 -54.2 48.77 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.978 176.467 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 86' ' ' ARG . . . . . 0.502 ' HG3' ' O ' ' B' ' 82' ' ' LEU . 47.0 mtp180 -74.16 -39.33 63.33 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.846 -178.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 10.2 tp -53.94 -43.18 69.59 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.381 0.61 . . . . 0.0 109.653 176.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.66 ' O ' ' HG3' ' B' ' 92' ' ' ARG . 8.0 t80 -55.8 -58.41 7.96 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.037 -0.983 . . . . 0.0 111.615 175.07 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -58.28 -47.65 82.95 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.976 0.417 . . . . 0.0 111.116 -177.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -53.64 -37.83 63.5 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.152 -0.931 . . . . 0.0 112.334 -176.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 91' ' ' PHE . . . . . 0.465 ' HB2' HG23 ' B' ' 97' ' ' VAL . 68.1 m-85 -105.35 11.86 32.31 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.859 0.688 . . . . 0.0 112.859 -174.563 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 92' ' ' ARG . . . . . 0.66 ' HG3' ' O ' ' B' ' 88' ' ' PHE . 78.4 mtp180 -72.04 -12.07 61.05 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 122.041 0.924 . . . . 0.0 109.008 170.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -69.09 -16.03 63.58 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.109 -1.405 . . . . 0.0 110.105 175.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 13.2 t -105.03 167.96 9.37 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.892 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 95' ' ' ASP . . . . . 0.523 ' HA ' ' O ' ' B' ' 132' ' ' LYS . 2.7 m-20 -67.09 -48.24 68.8 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.316 0.579 . . . . 0.0 111.002 -177.597 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 52.9 t0 -114.07 99.52 7.7 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 178.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 97' ' ' VAL . . . . . 0.472 ' O ' HG13 ' B' ' 101' ' ' ILE . 9.9 p -67.08 -39.38 83.13 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.59 -178.629 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . 0.582 ' HB2' ' NH1' ' B' ' 111' ' ' ARG . 4.7 mp -70.64 -29.93 66.42 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-O 120.706 0.289 . . . . 0.0 110.609 -175.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -60.53 -46.09 95.05 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.793 -0.718 . . . . 0.0 111.445 174.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 38.1 m-70 -72.85 -35.47 67.25 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 110.124 -0.325 . . . . 0.0 110.124 177.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 101' ' ' ILE . . . . . 0.518 HD12 ' HA ' ' B' ' 98' ' ' LEU . 32.2 mt -50.73 -59.46 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 O-C-N 123.429 0.456 . . . . 0.0 110.816 176.122 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 60.3 mtt -58.24 -40.25 81.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.953 -176.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -78.13 -26.19 47.77 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.347 -174.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -109.83 4.38 21.63 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 -173.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 105' ' ' ILE . . . . . 0.453 HG12 ' H ' ' B' ' 107' ' ' ALA . 15.9 tt -109.36 157.89 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.384 0.612 . . . . 0.0 111.074 177.684 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 6.8 t -77.09 -20.46 55.7 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.743 -1.117 . . . . 0.0 111.245 -178.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . 0.453 ' H ' HG12 ' B' ' 105' ' ' ILE . . . -98.77 128.16 44.92 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.902 0.382 . . . . 0.0 110.996 -175.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 108' ' ' LYS . . . . . 0.444 ' HA ' ' HE2' ' B' ' 108' ' ' LYS . 8.4 mmpt? -96.77 103.05 14.94 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 179.108 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 109' ' ' ARG . . . . . 0.413 ' HD2' HG21 ' B' ' 74' ' ' VAL . 9.9 ptm180 -137.95 -177.79 4.97 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.984 -175.152 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 22.7 p -97.05 164.26 12.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.893 -174.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 111' ' ' ARG . . . . . 0.582 ' NH1' ' HB2' ' B' ' 98' ' ' LEU . 11.7 mmt180 -63.85 -45.06 91.2 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.664 178.024 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 112' ' ' ALA . . . . . 0.467 ' O ' ' HB2' ' B' ' 116' ' ' ASP . . . -58.74 -29.84 67.04 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.888 -175.383 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . 0.481 ' NH2' ' HB3' ' B' ' 116' ' ' ASP . 0.0 OUTLIER -83.73 -30.73 26.48 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 -179.207 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 114' ' ' ILE . . . . . 0.617 HG23 HD21 ' B' ' 84' ' ' LEU . 93.6 mt -76.37 -47.22 30.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 C-N-CA 121.024 -0.27 . . . . 0.0 110.643 179.209 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 115' ' ' VAL . . . . . 0.578 ' O ' HD23 ' B' ' 119' ' ' LEU . 19.7 m -61.78 -36.16 72.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.057 0.456 . . . . 0.0 110.501 179.609 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 116' ' ' ASP . . . . . 0.481 ' HB3' ' NH2' ' B' ' 113' ' ' ARG . 28.4 t0 -71.03 -34.36 71.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.497 -178.183 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . 0.532 ' HE3' HD11 ' B' ' 121' ' ' LEU . 53.8 tptt -70.78 -38.38 73.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.303 -179.276 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . 0.509 HD22 HD12 ' B' ' 123' ' ' LEU . 22.1 mt -59.64 -47.39 85.78 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-O 120.78 0.324 . . . . 0.0 111.006 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 119' ' ' LEU . . . . . 0.578 HD23 ' O ' ' B' ' 115' ' ' VAL . 4.6 mm? -65.98 -28.42 68.88 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.894 -177.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -75.44 -34.67 61.0 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.432 -178.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 121' ' ' LEU . . . . . 0.532 HD11 ' HE3' ' B' ' 117' ' ' LYS . 9.2 mp -78.79 -25.24 44.28 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.642 172.262 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 76.24 35.23 43.72 Favored Glycine 0 N--CA 1.442 -0.938 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 -171.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . 0.509 HD12 HD22 ' B' ' 118' ' ' LEU . 42.3 mt -74.37 -21.98 59.41 Favored 'General case' 0 CA--C 1.513 -0.452 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 176.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 124' ' ' VAL . . . . . 0.703 HG21 HD21 ' B' ' 130' ' ' LEU . 15.5 m -146.06 178.54 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 113.952 -1.476 . . . . 0.0 108.714 174.674 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -116.81 -7.61 11.44 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.004 0.43 . . . . 0.0 110.752 179.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 126' ' ' GLU . . . . . 0.447 ' OE1' ' HD2' ' B' ' 128' ' ' ARG . 11.1 pt-20 -161.87 162.41 29.27 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.097 -176.288 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 127' ' ' ARG . . . . . 0.621 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 0.8 OUTLIER -78.73 -21.52 47.9 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.449 179.237 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 128' ' ' ARG . . . . . 0.447 ' HD2' ' OE1' ' B' ' 126' ' ' GLU . 36.1 mtt180 -60.71 -29.52 69.4 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.273 0.559 . . . . 0.0 110.726 -176.366 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -83.45 -7.41 59.56 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.417 -0.811 . . . . 0.0 111.773 -174.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 130' ' ' LEU . . . . . 0.703 HD21 HG21 ' B' ' 124' ' ' VAL . 0.2 OUTLIER -91.3 -11.77 37.05 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.009 0.433 . . . . 0.0 109.881 -179.51 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 131' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -123.29 76.1 1.36 Allowed 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 179.017 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . 0.523 ' O ' ' HA ' ' B' ' 95' ' ' ASP . 28.8 mmtm -129.76 -166.86 1.72 Allowed 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 121.105 0.479 . . . . 0.0 111.484 -172.142 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . 0.428 ' HG2' ' OD1' ' B' ' 95' ' ' ASP . 36.2 mtmm -117.39 175.4 5.64 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 165.303 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 134' ' ' ARG . . . . . . . . . . . . . 24.5 tpt180 -61.37 82.36 0.01 OUTLIER 'General case' 0 N--CA 1.443 -0.825 0 CA-C-O 121.238 0.542 . . . . 0.0 109.725 170.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -64.44 170.09 4.21 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.846 179.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 24.6 pttm -59.51 170.99 0.9 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.104 170.204 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 137' ' ' LYS . . . . . 0.605 ' HD3' ' H ' ' B' ' 137' ' ' LYS . 0.0 OUTLIER -73.12 86.5 1.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 122.342 1.068 . . . . 0.0 111.276 -178.122 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -137.15 168.42 19.64 Favored 'General case' 0 C--N 1.319 -0.744 0 O-C-N 121.717 -0.614 . . . . 0.0 109.352 177.663 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . -97.22 134.54 40.4 Favored 'General case' 0 C--N 1.314 -0.966 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 177.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.3 106.87 0.58 Allowed 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 172.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 141' ' ' SER . . . . . . . . . . . . . 5.1 t . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.338 -0.839 . . . . 0.0 110.897 -162.191 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 . . . . . 0 N--CA 1.48 1.028 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -90.42 14.42 2.05 Favored 'Trans proline' 0 N--CA 1.459 -0.517 0 C-N-CA 122.658 2.239 . . . . 0.0 113.32 -178.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 11.5 m -89.76 -7.05 55.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.944 0.402 . . . . 0.0 110.277 -179.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 23.5 mmt180 -87.65 97.97 11.17 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-O 121.163 0.506 . . . . 0.0 110.288 -175.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . 0.678 ' O ' ' HD3' ' B' ' 7' ' ' PRO . 27.3 tpt180 -99.29 111.68 24.0 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.485 -0.931 . . . . 0.0 108.485 173.543 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -93.52 105.93 18.42 Favored Pre-proline 0 C--N 1.319 -0.754 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.36 -177.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . 0.678 ' HD3' ' O ' ' B' ' 5' ' ' ARG . 4.7 Cg_endo -101.97 -177.82 0.13 Allowed 'Trans proline' 0 N--CA 1.44 -1.638 0 C-N-CA 123.001 2.467 . . . . 0.0 112.268 174.643 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 5.2 p -81.76 157.63 24.45 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.218 179.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' TRP . . . . . 0.482 ' CZ3' ' HG2' ' B' ' 13' ' ' GLU . 73.1 m95 -90.69 131.41 36.4 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.661 -177.092 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 74.8 p -90.35 157.44 44.86 Favored Pre-proline 0 C--N 1.318 -0.775 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 174.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_exo -56.65 -20.9 36.52 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.364 2.043 . . . . 0.0 111.771 176.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -83.17 -46.87 12.21 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.276 -179.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.482 ' HG2' ' CZ3' ' B' ' 9' ' ' TRP . 21.7 tt0 -65.18 -40.13 93.83 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.372 -178.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . 0.506 ' O ' ' HB2' ' B' ' 17' ' ' LEU . 46.5 mt-10 -67.29 -37.8 83.98 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.031 179.034 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.19 -36.15 83.12 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-O 121.039 0.447 . . . . 0.0 110.495 179.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.471 ' HA ' ' HB3' ' B' ' 19' ' ' GLU . 5.5 t-160 -63.22 -29.39 70.74 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.666 177.287 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.506 ' HB2' ' O ' ' B' ' 14' ' ' GLU . 72.8 mt -58.61 -61.09 2.86 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-O 120.9 0.381 . . . . 0.0 110.04 174.304 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . 0.707 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 13.8 ptm180 -65.84 -31.18 71.99 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.03 178.41 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . 0.471 ' HB3' ' HA ' ' B' ' 16' ' ' HIS . 12.6 tp10 -51.55 -57.49 8.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.835 0.826 . . . . 0.0 110.119 177.535 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.53 HD11 ' HB2' ' B' ' 39' ' ' HIS . 0.7 OUTLIER -72.61 -28.06 62.55 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.799 -1.091 . . . . 0.0 111.653 -177.889 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 44.7 t80 -73.37 -52.31 14.25 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.262 -177.156 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.707 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 55.6 mt -59.56 -26.9 65.76 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.555 -178.759 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.35 -56.8 4.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.726 176.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 -85.93 -8.83 57.74 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 -171.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 14.8 ptmm? -70.7 -13.65 62.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.123 0.487 . . . . 0.0 110.222 179.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -75.54 -15.69 60.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.303 0.573 . . . . 0.0 110.06 178.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 34.6 t -91.0 111.1 23.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.129 -179.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -84.48 128.25 34.48 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.881 -176.276 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.0 3.14 65.91 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.505 177.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -103.63 146.65 28.25 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.733 0.302 . . . . 0.0 110.98 179.04 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -64.67 94.49 0.12 Allowed 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.47 170.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.418 ' O ' HG13 ' B' ' 36' ' ' ILE . 6.4 p -69.08 -31.17 49.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 176.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . 0.607 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 1.0 OUTLIER -55.45 -51.25 59.14 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.302 0 CA-C-N 114.74 -1.118 . . . . 0.0 110.116 178.814 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.443 ' N ' HG22 ' B' ' 33' ' ' VAL . 34.2 tt0 -71.54 -42.38 67.97 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.14 -174.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.55 -45.18 37.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.262 0.553 . . . . 0.0 111.006 178.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.475 HG22 HD11 ' B' ' 40' ' ' LEU . 58.1 mt -71.37 -63.58 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.18 -177.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.607 ' HG ' ' O ' ' B' ' 33' ' ' VAL . 3.7 pp -61.69 -19.79 62.75 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 -173.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -80.16 -41.22 25.76 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.49 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' HIS . . . . . 0.53 ' HB2' HD11 ' B' ' 20' ' ' LEU . 31.1 m-70 -79.25 -21.51 46.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.112 0.482 . . . . 0.0 109.709 -178.566 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.475 HD11 HG22 ' B' ' 36' ' ' ILE . 58.5 mt -76.82 81.1 3.41 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.665 176.365 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -106.94 38.32 2.13 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.809 0.814 . . . . 0.0 109.249 177.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 9.1 t -103.97 -20.67 13.8 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.144 176.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . 0.475 HG21 ' NE ' ' B' ' 45' ' ' ARG . 7.4 p -141.32 128.67 11.83 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.99 -173.352 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . 0.466 ' HG2' ' O ' ' B' ' 5' ' ' ARG . 49.7 Cg_endo -72.38 88.54 0.86 Allowed 'Trans proline' 0 N--CA 1.462 -0.363 0 C-N-CA 122.186 1.924 . . . . 0.0 111.784 175.121 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.577 ' NH1' ' HD2' ' B' ' 7' ' ' PRO . 35.8 mmt180 -109.28 171.02 7.68 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.186 179.707 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 26.8 p -98.29 165.77 11.71 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 165.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . 0.522 ' HG3' HD22 ' B' ' 37' ' ' LEU . 0.1 OUTLIER -62.69 -35.51 79.94 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.009 0.433 . . . . 0.0 109.94 -178.539 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -52.64 -39.23 61.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.719 179.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -65.78 -49.55 67.94 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.744 -172.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 2.3 mp -60.42 -51.22 75.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 C-N-CA 121.146 -0.222 . . . . 0.0 111.214 -176.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.508 HG13 ' CD1' ' B' ' 66' ' ' PHE . 2.4 mp -55.73 -46.94 79.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-O 121.209 0.528 . . . . 0.0 110.579 178.714 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -63.73 -50.38 69.33 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.474 -0.785 . . . . 0.0 112.28 -175.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' HIS . . . . . 0.479 ' O ' ' HB2' ' B' ' 57' ' ' MET . 51.7 m-70 -61.88 -23.7 66.46 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -176.754 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . 0.414 HD22 HD11 ' B' ' 59' ' ' LEU . 30.1 mt -82.79 -50.33 8.78 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.975 -176.576 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . 0.533 ' HA ' ' HB3' ' B' ' 60' ' ' ALA . 6.9 m -70.93 -24.61 24.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.249 0.547 . . . . 0.0 110.168 -179.384 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -83.03 -17.18 44.24 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.987 176.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.479 ' HB2' ' O ' ' B' ' 53' ' ' HIS . 34.0 ttm -80.24 -8.99 59.71 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.137 0.494 . . . . 0.0 110.1 176.664 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 86.49 -2.59 87.41 Favored Glycine 0 N--CA 1.452 -0.247 0 CA-C-N 115.895 -0.593 . . . . 0.0 112.889 175.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.512 HD12 ' N ' ' B' ' 60' ' ' ALA . 3.2 pp -84.67 -24.41 29.02 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.633 0.254 . . . . 0.0 110.756 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . 0.533 ' HB3' ' HA ' ' B' ' 55' ' ' VAL . . . -108.69 157.22 18.74 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.743 176.567 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -62.32 -66.1 0.59 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.247 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 20.3 p -164.53 177.23 8.28 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.974 -176.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 2.1 t -53.03 -33.37 19.55 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.505 178.284 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . 0.544 ' HA ' ' O ' ' B' ' 67' ' ' GLN . 19.4 mtmm -71.18 -13.22 61.86 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.232 -0.894 . . . . 0.0 111.836 -172.435 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -77.3 -19.4 56.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.896 0.855 . . . . 0.0 109.455 178.388 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' PHE . . . . . 0.508 ' CD1' HG13 ' B' ' 51' ' ' ILE . 19.5 m-85 -108.91 -47.63 3.42 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.769 -1.105 . . . . 0.0 109.755 178.762 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' GLN . . . . . 0.544 ' O ' ' HA ' ' B' ' 64' ' ' LYS . 78.9 mt-30 -137.32 111.35 8.33 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.731 -1.122 . . . . 0.0 108.53 178.485 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' B' ' 68' ' ' ARG . 37.1 ttm180 -69.34 82.79 0.38 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.556 0.693 . . . . 0.0 110.266 -178.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -76.09 100.14 4.86 Favored 'General case' 0 N--CA 1.439 -0.987 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 170.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -38.84 115.03 0.42 Allowed Glycine 0 CA--C 1.508 -0.388 0 O-C-N 124.563 1.165 . . . . 0.0 112.114 178.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 4.9 p -60.68 146.48 45.51 Favored 'General case' 0 CA--C 1.504 -0.795 0 N-CA-C 113.737 1.014 . . . . 0.0 113.737 -170.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . 0.551 ' O ' ' HD2' ' B' ' 113' ' ' ARG . 26.0 p-80 -55.36 113.79 1.55 Allowed 'General case' 0 N--CA 1.44 -0.939 0 N-CA-C 107.172 -1.418 . . . . 0.0 107.172 162.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -123.28 113.22 36.77 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.731 0 CA-C-O 121.505 0.669 . . . . 0.0 109.442 177.782 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 5.8 m -62.74 130.59 27.48 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.236 0 N-CA-C 107.365 -1.346 . . . . 0.0 107.365 175.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -48.14 89.42 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 113.272 0.841 . . . . 0.0 113.272 -166.497 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' TRP . . . . . 0.57 ' HA ' HE21 ' B' ' 80' ' ' GLN . 81.9 m95 -84.1 108.11 16.84 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 121.537 0.684 . . . . 0.0 110.498 -178.076 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 42.6 p -115.84 177.63 4.61 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 114.908 -1.042 . . . . 0.0 108.754 176.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.43 -32.31 64.15 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.217 -0.992 . . . . 0.0 110.982 172.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . 0.515 ' O ' ' HG3' ' B' ' 83' ' ' GLU . 1.4 m-20 -62.08 -61.67 2.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.233 -0.483 . . . . 0.0 110.517 176.189 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 80' ' ' GLN . . . . . 0.57 HE21 ' HA ' ' B' ' 76' ' ' TRP . 7.8 tt0 -64.63 -28.16 69.43 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.686 -176.272 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -59.75 -48.4 81.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.589 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.411 HD12 ' N ' ' B' ' 83' ' ' GLU . 4.6 pp -77.16 -26.36 52.94 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.837 179.736 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . 0.515 ' HG3' ' O ' ' B' ' 79' ' ' ASP . 55.5 mt-10 -61.31 -44.82 96.56 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 120.983 0.421 . . . . 0.0 109.962 175.649 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . 0.454 HD11 HG23 ' B' ' 114' ' ' ILE . 40.7 tp -64.61 -46.56 82.1 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.139 176.714 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -54.6 -51.3 65.75 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.201 -179.073 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 41.8 mtm105 -59.77 -52.11 66.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.237 -178.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' B' ' 83' ' ' GLU . 41.1 mt -63.09 -37.45 87.26 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.691 0.281 . . . . 0.0 111.262 -177.328 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.63 ' O ' ' HB2' ' B' ' 92' ' ' ARG . 34.9 t80 -53.2 -46.59 69.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.544 175.688 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -80.56 -31.84 36.78 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.295 -178.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -71.96 -33.97 68.61 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -174.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -113.18 15.72 19.34 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.819 0.342 . . . . 0.0 110.767 179.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 92' ' ' ARG . . . . . 0.63 ' HB2' ' O ' ' B' ' 88' ' ' PHE . 39.1 ttt180 -65.44 -22.63 66.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.776 -174.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . 0.541 ' HA ' ' HB3' ' B' ' 134' ' ' ARG . 9.4 p-10 -75.87 0.39 18.36 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.586 -179.298 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 9.5 t -105.15 147.16 28.27 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 176.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -59.84 -45.07 93.55 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.974 0.416 . . . . 0.0 111.625 -174.084 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -107.25 79.28 1.29 Allowed 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 175.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 97' ' ' VAL . . . . . 0.592 ' O ' HG13 ' B' ' 101' ' ' ILE . 2.3 p -64.14 -35.3 73.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.888 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . 0.582 ' O ' ' HG2' ' B' ' 102' ' ' MET . 5.5 mp -61.01 -38.51 86.3 Favored 'General case' 0 CA--C 1.517 -0.319 0 N-CA-C 111.518 0.192 . . . . 0.0 111.518 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -55.14 -40.55 74.98 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.963 -0.637 . . . . 0.0 111.887 177.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -78.46 -33.72 48.19 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 -179.022 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 101' ' ' ILE . . . . . 0.592 HG13 ' O ' ' B' ' 97' ' ' VAL . 65.4 mt -57.34 -64.03 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.676 177.123 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 102' ' ' MET . . . . . 0.582 ' HG2' ' O ' ' B' ' 98' ' ' LEU . 11.6 ptp -68.21 -15.22 63.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.744 -175.558 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -81.56 -48.93 11.15 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 121.119 -0.232 . . . . 0.0 110.995 178.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -94.29 -2.32 52.47 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 -169.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 105' ' ' ILE . . . . . 0.54 HG12 ' NH2' ' B' ' 109' ' ' ARG . 10.5 tp -91.54 156.8 2.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 C-N-CA 120.484 -0.487 . . . . 0.0 110.447 178.539 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 106' ' ' THR . . . . . 0.43 ' N ' HG13 ' B' ' 105' ' ' ILE . 13.7 t -65.82 -34.23 77.69 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.468 -0.787 . . . . 0.0 112.02 -175.417 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . 0.453 ' O ' HG23 ' B' ' 105' ' ' ILE . . . -97.98 126.53 43.44 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 178.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 108' ' ' LYS . . . . . 0.429 ' HE3' ' O ' ' B' ' 105' ' ' ILE . 0.1 OUTLIER -79.93 101.08 8.39 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 177.513 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 109' ' ' ARG . . . . . 0.54 ' NH2' HG12 ' B' ' 105' ' ' ILE . 35.5 mtt180 -100.66 164.14 12.01 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.653 -177.007 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 2.9 p -98.79 168.63 10.01 Favored 'General case' 0 C--N 1.311 -1.065 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.961 175.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 12.4 mmt85 -65.25 -42.87 92.85 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.865 -175.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.59 -27.38 66.24 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.432 179.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . 0.637 ' NE ' ' HA ' ' B' ' 113' ' ' ARG . 2.7 mmp_? -82.78 -32.78 27.58 Favored 'General case' 0 CA--C 1.509 -0.605 0 CA-C-O 120.978 0.418 . . . . 0.0 111.497 -179.041 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 114' ' ' ILE . . . . . 0.454 HG23 HD11 ' B' ' 84' ' ' LEU . 67.7 mt -83.03 -43.7 18.55 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.922 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.078 -177.522 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 115' ' ' VAL . . . . . 0.492 HG12 ' CD1' ' B' ' 130' ' ' LEU . 25.8 m -64.18 -39.73 86.54 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.194 0 CA-C-O 120.816 0.341 . . . . 0.0 110.628 -179.44 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -67.0 -43.61 82.49 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.636 -177.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 58.5 tptt -67.62 -31.77 72.03 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.25 0.548 . . . . 0.0 109.763 179.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . 0.533 HD21 ' CE1' ' B' ' 88' ' ' PHE . 3.6 tp -65.33 -40.73 94.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.612 178.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 119' ' ' LEU . . . . . 0.462 HD22 HG23 ' B' ' 124' ' ' VAL . 3.1 mt -67.66 -24.46 65.44 Favored 'General case' 0 N--CA 1.462 0.132 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.75 -45.26 29.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.346 -177.02 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 11.1 mp -63.37 -24.66 67.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.371 0.605 . . . . 0.0 109.519 171.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 68.78 34.24 77.33 Favored Glycine 0 N--CA 1.439 -1.118 0 CA-C-N 114.964 -1.016 . . . . 0.0 111.337 -176.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . 0.47 HD13 ' CD2' ' B' ' 88' ' ' PHE . 70.2 mt -68.75 -22.62 64.3 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 122.225 1.012 . . . . 0.0 108.326 171.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 124' ' ' VAL . . . . . 0.591 HG21 HD22 ' B' ' 130' ' ' LEU . 19.2 m -137.94 169.35 18.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 113.739 -1.573 . . . . 0.0 109.382 175.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -105.97 -6.15 19.04 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.436 178.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 126' ' ' GLU . . . . . 0.43 ' CD ' ' HB3' ' B' ' 128' ' ' ARG . 10.7 pt-20 -170.12 173.76 5.75 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 -174.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 127' ' ' ARG . . . . . 0.708 ' HA ' HD21 ' B' ' 130' ' ' LEU . 35.4 mtp180 -78.8 -21.83 47.2 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -177.574 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 128' ' ' ARG . . . . . 0.43 ' HB3' ' CD ' ' B' ' 126' ' ' GLU . 3.1 ttm-85 -65.1 -34.52 78.6 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 112.681 0.622 . . . . 0.0 112.681 -176.161 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -67.24 -35.21 79.09 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 111.779 0.288 . . . . 0.0 111.779 -174.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 130' ' ' LEU . . . . . 0.708 HD21 ' HA ' ' B' ' 127' ' ' ARG . 0.1 OUTLIER -82.16 15.35 2.41 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -173.235 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 131' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -129.99 46.33 2.67 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.195 0.521 . . . . 0.0 109.595 174.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . 0.432 ' HB2' HE22 ' B' ' 135' ' ' GLN . 36.8 mmtm -131.78 -179.34 5.33 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.307 -179.121 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm -86.06 173.9 9.56 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.202 177.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 134' ' ' ARG . . . . . 0.596 ' O ' ' HG2' ' B' ' 134' ' ' ARG . 0.1 OUTLIER -63.81 80.46 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.714 0 CA-C-O 122.009 0.909 . . . . 0.0 112.0 176.232 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 135' ' ' GLN . . . . . 0.432 HE22 ' HB2' ' B' ' 132' ' ' LYS . 3.5 pm0 -112.03 170.65 8.01 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.358 169.445 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -46.44 145.96 1.61 Allowed 'General case' 0 N--CA 1.466 0.347 0 O-C-N 123.605 0.566 . . . . 0.0 111.38 177.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.25 99.27 2.34 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.567 -1.272 . . . . 0.0 107.567 171.502 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 72.0 mt -63.54 168.89 4.26 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.477 -175.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . -73.1 -153.58 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.732 174.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 21.8 t -63.15 102.09 0.35 Allowed 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 175.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 141' ' ' SER . . . . . . . . . . . . . 20.8 t . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.721 -0.657 . . . . 0.0 109.696 179.347 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . 0.509 ' HB2' ' HD3' ' B' ' 2' ' ' PRO . 2.3 m-20 . . . . . 0 N--CA 1.483 1.194 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . 0.509 ' HD3' ' HB2' ' B' ' 1' ' ' ASP . 67.8 Cg_endo -82.92 20.41 1.16 Allowed 'Trans proline' 0 C--N 1.355 0.88 0 C-N-CA 121.677 1.584 . . . . 0.0 112.983 -173.685 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 19.8 m -101.45 18.34 20.39 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.043 0.449 . . . . 0.0 111.127 -176.129 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 41.0 mtp-105 -88.86 177.96 6.56 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.368 178.472 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -67.71 95.5 0.5 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.362 0.601 . . . . 0.0 109.392 177.046 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.506 ' HB3' ' HD3' ' B' ' 44' ' ' PRO . . . -112.71 151.93 44.35 Favored Pre-proline 0 C--N 1.313 -1.019 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.802 177.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . 0.547 ' HD2' ' O ' ' B' ' 42' ' ' THR . 44.2 Cg_exo -59.32 178.44 0.31 Allowed 'Trans proline' 0 CA--C 1.534 0.513 0 C-N-CA 122.903 2.402 . . . . 0.0 113.522 175.047 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 11.2 t -90.0 160.79 16.19 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.221 -178.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 98.2 m95 -59.56 110.83 1.21 Allowed 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.208 178.381 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 43.1 t -77.44 151.9 80.87 Favored Pre-proline 0 C--N 1.314 -0.936 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 166.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -49.42 -34.75 33.84 Favored 'Trans proline' 0 C--O 1.237 0.438 0 C-N-CA 122.273 1.982 . . . . 0.0 112.353 176.574 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -75.54 -23.84 56.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.904 178.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.548 ' OE2' HG21 ' B' ' 42' ' ' THR . 8.6 tp10 -72.83 -30.41 64.0 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -67.62 -38.29 83.71 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.443 174.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . 0.456 ' O ' ' HB2' ' B' ' 19' ' ' GLU . . . -69.44 -32.38 71.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.453 175.766 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.553 ' HA ' ' CB ' ' B' ' 19' ' ' GLU . 11.6 t-160 -76.36 -20.1 57.53 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.036 175.518 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -74.29 -47.17 36.51 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . 0.732 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 34.8 ptt180 -69.84 -29.84 67.19 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 172.663 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . 0.553 ' CB ' ' HA ' ' B' ' 16' ' ' HIS . 7.5 tp10 -54.08 -47.61 71.53 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.67 -177.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.427 HD23 ' ND2' ' B' ' 24' ' ' ASN . 0.3 OUTLIER -76.22 -30.08 57.82 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.536 -178.913 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -69.08 -51.46 38.53 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.003 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.732 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 49.9 mt -61.19 -31.49 71.25 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.908 -177.626 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.57 -23.73 49.93 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.085 -177.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' ASN . . . . . 0.427 ' ND2' HD23 ' B' ' 20' ' ' LEU . 35.7 m-80 -123.42 16.91 9.74 Favored 'General case' 0 N--CA 1.462 0.167 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -176.613 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -85.75 -13.64 47.71 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.93 0.395 . . . . 0.0 111.088 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -102.05 -2.02 30.44 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.649 -173.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 2.7 p -90.55 109.68 21.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.491 0.662 . . . . 0.0 110.154 176.015 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -89.24 149.24 23.18 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.58 -177.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.42 8.61 77.36 Favored Glycine 0 N--CA 1.451 -0.351 0 N-CA-C 110.742 -0.943 . . . . 0.0 110.742 -174.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -122.92 159.11 28.94 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.938 -0.631 . . . . 0.0 110.151 -177.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . 0.604 ' OD1' HG22 ' B' ' 33' ' ' VAL . 10.5 t70 -93.53 114.52 26.9 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 173.314 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 9.4 p -70.78 -34.16 55.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.733 0.301 . . . . 0.0 111.225 -173.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . 0.604 HG22 ' OD1' ' B' ' 31' ' ' ASP . 1.3 m -77.09 -36.55 24.87 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.541 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 -176.047 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -62.74 -28.33 69.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.796 176.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . 0.534 ' O ' ' HD2' ' B' ' 39' ' ' HIS . . . -68.86 -51.07 44.33 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.776 177.779 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 22.9 mt -67.68 -54.29 24.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.671 -178.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.706 HD23 HD13 ' B' ' 50' ' ' ILE . 34.6 mt -44.52 -42.6 7.32 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 123.897 0.748 . . . . 0.0 112.205 -178.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -89.27 -28.94 19.56 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 -169.165 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' HIS . . . . . 0.534 ' HD2' ' O ' ' B' ' 35' ' ' ALA . 67.6 m-70 -86.8 -28.81 22.72 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 -168.527 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.501 ' HG ' HH22 ' B' ' 45' ' ' ARG . 1.3 pt? -119.72 97.28 5.55 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 122.025 0.917 . . . . 0.0 111.7 -177.02 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 49.3 m-80 -89.9 40.68 1.01 Allowed 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.547 -0.752 . . . . 0.0 110.496 -178.19 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . 0.763 HG23 HG12 ' B' ' 43' ' ' VAL . 1.8 t -81.29 -28.83 34.48 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.092 -0.958 . . . . 0.0 112.503 -175.052 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . 0.763 HG12 HG23 ' B' ' 42' ' ' THR . 0.1 OUTLIER -142.02 145.2 35.1 Favored Pre-proline 0 C--N 1.323 -0.551 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 -178.672 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . 0.746 ' HD2' HG23 ' B' ' 43' ' ' VAL . 59.4 Cg_endo -67.48 105.2 1.02 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 C-N-CA 122.453 2.102 . . . . 0.0 112.554 -171.365 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.686 ' CZ ' HG13 ' B' ' 43' ' ' VAL . 0.8 OUTLIER -103.57 135.1 45.78 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.724 0.773 . . . . 0.0 112.75 -171.418 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 25.4 p -90.48 171.49 9.38 Favored 'General case' 0 C--N 1.308 -1.209 0 N-CA-C 106.68 -1.6 . . . . 0.0 106.68 154.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . 0.569 ' HA ' HD21 ' B' ' 37' ' ' LEU . 1.3 mpp_? -58.59 -40.89 84.49 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.654 0.74 . . . . 0.0 109.656 175.683 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.416 ' HE2' ' HB3' ' B' ' 48' ' ' LYS . 22.3 ttpt -59.48 -33.54 71.44 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.578 -1.192 . . . . 0.0 112.398 178.6 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.527 HE22 HG22 ' B' ' 43' ' ' VAL . 0.0 OUTLIER -52.18 -61.93 1.95 Allowed 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -175.553 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.706 HD13 HD23 ' B' ' 37' ' ' LEU . 2.2 mp -65.2 -45.11 94.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.955 -178.072 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.792 HG21 HG13 ' B' ' 63' ' ' VAL . 90.6 mt -51.64 -49.18 35.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-O 121.196 0.522 . . . . 0.0 111.423 -178.286 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 1.9 m170 -61.45 -50.77 71.43 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.356 -0.838 . . . . 0.0 112.032 -176.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' HIS . . . . . 0.658 ' O ' ' HB2' ' B' ' 57' ' ' MET . 62.5 m-70 -66.93 -22.2 65.95 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.621 -0.432 . . . . 0.0 111.491 -174.458 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . 0.648 HD22 HD11 ' B' ' 59' ' ' LEU . 40.5 mt -75.99 -50.6 14.41 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.014 0.435 . . . . 0.0 110.24 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 19.2 m -69.56 -31.85 50.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.145 0.498 . . . . 0.0 110.226 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -74.22 -18.79 60.7 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.938 177.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.658 ' HB2' ' O ' ' B' ' 53' ' ' HIS . 16.3 ttm -85.51 -4.37 59.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.2 0.524 . . . . 0.0 110.158 -179.419 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 79.88 2.62 88.71 Favored Glycine 0 N--CA 1.453 -0.221 0 CA-C-N 115.79 -0.641 . . . . 0.0 112.793 176.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.648 HD11 HD22 ' B' ' 54' ' ' LEU . 4.2 pp -93.5 -16.49 24.42 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.902 0.382 . . . . 0.0 110.642 -179.344 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -121.64 160.62 24.05 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.717 176.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -74.36 -68.28 0.54 Allowed 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.273 0.471 . . . . 0.0 112.273 -177.029 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 22.0 m -157.15 162.88 39.37 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.039 0.447 . . . . 0.0 111.142 -173.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' VAL . . . . . 0.792 HG13 HG21 ' B' ' 51' ' ' ILE . 39.5 t -66.81 -20.61 27.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.73 175.53 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . 0.474 ' HG3' ' HA ' ' B' ' 71' ' ' THR . 0.1 OUTLIER -44.05 -50.5 8.39 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.57 -1.195 . . . . 0.0 112.248 172.802 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -87.35 -6.59 58.42 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.907 -1.042 . . . . 0.0 111.567 -168.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' PHE . . . . . 0.571 ' CG ' HG23 ' B' ' 51' ' ' ILE . 10.8 m-85 -93.98 -51.1 5.01 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.526 175.639 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -155.92 -100.38 0.03 OUTLIER 'General case' 0 C--O 1.232 0.158 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 17.5 tpt180 -155.27 79.94 1.04 Allowed 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 179.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . 0.4 ' CB ' HG11 ' B' ' 63' ' ' VAL . 7.0 mmtt -158.85 31.92 0.22 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.105 0.479 . . . . 0.0 111.009 171.629 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -170.46 51.73 0.2 Allowed Glycine 0 CA--C 1.503 -0.663 0 N-CA-C 110.29 -1.124 . . . . 0.0 110.29 -179.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . 0.474 ' HA ' ' HG3' ' B' ' 64' ' ' LYS . 1.2 p -70.41 164.67 24.12 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.781 0.8 . . . . 0.0 112.745 -172.299 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . 0.414 ' HB3' ' HD2' ' B' ' 64' ' ' LYS . 13.5 p-80 -85.8 3.54 41.04 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.581 -1.19 . . . . 0.0 108.793 174.004 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . 0.439 ' H ' ' HB ' ' B' ' 71' ' ' THR . 0.5 OUTLIER -65.45 129.64 29.89 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.739 0 CA-C-N 114.847 -1.07 . . . . 0.0 111.644 -172.53 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . 0.578 ' O ' ' HD1' ' B' ' 76' ' ' TRP . 0.2 OUTLIER -55.13 140.71 12.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 113.8 -1.545 . . . . 0.0 109.397 169.836 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.614 ' O ' ' HG ' ' B' ' 75' ' ' LEU . 2.6 pt? -55.72 94.9 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 121.83 0.824 . . . . 0.0 110.81 179.474 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 76' ' ' TRP . . . . . 0.578 ' HD1' ' O ' ' B' ' 74' ' ' VAL . 12.1 m95 -81.3 110.29 16.61 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.166 -179.441 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 28.8 p -101.93 176.17 5.3 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.151 177.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -58.2 -41.54 94.85 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 121.255 -0.498 . . . . 0.0 112.847 -177.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . 0.654 ' O ' ' HG3' ' B' ' 83' ' ' GLU . 8.0 p-10 -65.93 -47.03 76.07 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.599 -0.148 . . . . 0.0 110.599 179.214 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -62.56 -39.23 92.97 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 121.003 0.43 . . . . 0.0 111.05 -179.337 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -66.59 -39.39 88.38 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.777 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -66.56 -43.21 85.67 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.185 176.372 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . 0.654 ' HG3' ' O ' ' B' ' 79' ' ' ASP . 86.1 mt-10 -56.35 -60.4 3.57 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.364 0.602 . . . . 0.0 111.578 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . 0.497 ' O ' HD12 ' B' ' 84' ' ' LEU . 2.7 tp -77.84 -25.54 48.8 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.605 -168.274 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . 0.609 ' O ' ' HG3' ' B' ' 89' ' ' GLU . 28.8 tt0 -61.75 -45.16 95.12 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.036 177.506 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -77.11 -43.95 32.29 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.488 -178.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 6.8 tp -59.13 -41.81 89.13 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.141 -177.241 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -56.99 -49.9 74.34 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.785 176.087 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.609 ' HG3' ' O ' ' B' ' 85' ' ' GLN . 51.7 mt-10 -58.03 -38.15 75.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.147 0.499 . . . . 0.0 111.206 -178.481 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -75.63 -39.86 57.16 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.471 -0.786 . . . . 0.0 112.058 -172.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -92.7 13.17 20.9 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 -173.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 92' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' B' ' 92' ' ' ARG . 18.4 mtm180 -68.69 -16.07 63.71 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 121.62 0.724 . . . . 0.0 109.472 174.22 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -69.97 -17.53 63.31 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.646 -1.161 . . . . 0.0 111.346 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 53.5 p -103.96 157.09 17.34 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 121.081 -0.248 . . . . 0.0 110.634 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 95' ' ' ASP . . . . . 0.511 ' HA ' ' HB3' ' B' ' 132' ' ' LYS . 4.1 p-10 -61.14 -30.99 70.72 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 -171.44 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -130.39 100.29 5.31 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.091 0.472 . . . . 0.0 109.951 176.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 97' ' ' VAL . . . . . 0.684 ' O ' HG12 ' B' ' 101' ' ' ILE . 9.7 p -65.77 -45.08 92.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.427 -175.371 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . 0.504 ' HB2' ' NH1' ' B' ' 111' ' ' ARG . 4.5 mp -69.33 -30.14 68.12 Favored 'General case' 0 CA--C 1.522 -0.131 0 CA-C-O 120.457 0.17 . . . . 0.0 111.248 -173.549 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 99' ' ' GLY . . . . . 0.514 ' O ' ' HG2' ' B' ' 103' ' ' LYS . . . -61.8 -43.22 99.52 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.459 -0.877 . . . . 0.0 111.113 175.689 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -73.29 -26.83 61.24 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.888 0.375 . . . . 0.0 110.004 178.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 101' ' ' ILE . . . . . 0.684 HG12 ' O ' ' B' ' 97' ' ' VAL . 37.4 mm -59.03 -62.1 1.16 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.26 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.578 175.524 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 56.3 mtt -56.52 -37.38 70.35 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.406 -174.459 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 103' ' ' LYS . . . . . 0.514 ' HG2' ' O ' ' B' ' 99' ' ' GLY . 75.2 mmtt -72.87 -36.83 67.47 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.213 -177.779 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -88.74 -27.6 21.07 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 -174.144 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 105' ' ' ILE . . . . . 0.508 HG22 ' O ' ' B' ' 101' ' ' ILE . 11.2 tp -91.68 157.33 2.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.617 0.722 . . . . 0.0 111.32 -176.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 106' ' ' THR . . . . . 0.415 ' N ' HG13 ' B' ' 105' ' ' ILE . 12.1 t -74.2 -33.23 63.34 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 114.984 -1.007 . . . . 0.0 112.218 -174.41 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -99.96 129.88 46.08 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 122.196 -0.315 . . . . 0.0 111.085 -177.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.11 101.12 7.72 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.173 0.511 . . . . 0.0 109.7 175.539 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 58.2 mtt180 -110.25 121.02 44.3 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.536 -177.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 1.2 m -60.01 157.29 13.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 123.668 0.605 . . . . 0.0 111.475 -175.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 111' ' ' ARG . . . . . 0.504 ' NH1' ' HB2' ' B' ' 98' ' ' LEU . 12.2 mmt180 -54.05 -46.97 72.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.542 -177.503 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.82 -24.37 67.72 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.481 -177.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . 0.45 ' HD3' HG12 ' B' ' 74' ' ' VAL . 39.8 mtt180 -75.96 -50.03 16.06 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 178.483 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 62.9 mt -60.28 -54.96 27.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.848 -178.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 115' ' ' VAL . . . . . 0.566 ' O ' HD23 ' B' ' 119' ' ' LEU . 19.0 m -64.39 -36.95 78.7 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.25 -174.253 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -67.55 -32.38 73.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.695 0.283 . . . . 0.0 110.695 179.437 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 23.9 tptp -79.99 -33.58 39.24 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.085 -179.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 1.7 mp -59.45 -48.44 81.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.048 0.452 . . . . 0.0 110.752 176.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 119' ' ' LEU . . . . . 0.566 HD23 ' O ' ' B' ' 115' ' ' VAL . 4.4 mm? -63.06 -33.11 74.73 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.601 178.327 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.14 -30.74 58.28 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.045 -177.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 98.5 mt -79.35 -24.33 42.79 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.317 0.579 . . . . 0.0 110.245 174.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 79.36 34.64 31.87 Favored Glycine 0 N--CA 1.442 -0.952 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 -174.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 66.6 mt -79.83 -26.91 40.31 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-O 121.52 0.676 . . . . 0.0 109.427 178.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 124' ' ' VAL . . . . . 0.713 ' HA ' ' OG ' ' B' ' 141' ' ' SER . 30.4 m -140.42 162.31 24.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 114.476 -1.238 . . . . 0.0 109.582 176.734 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -95.98 -7.39 36.56 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.368 178.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -175.0 174.9 2.4 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.426 -174.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 127' ' ' ARG . . . . . 0.601 ' HA ' HD21 ' B' ' 130' ' ' LEU . 46.2 mtm180 -78.28 -26.41 47.07 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 -176.008 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 128' ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 -61.42 -27.86 68.85 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 120.888 0.375 . . . . 0.0 111.005 -176.051 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -68.5 -26.97 65.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.532 -175.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 130' ' ' LEU . . . . . 0.601 HD21 ' HA ' ' B' ' 127' ' ' ARG . 0.1 OUTLIER -100.16 16.29 24.64 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.493 -177.623 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 131' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -123.53 95.99 4.8 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 174.151 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . 0.511 ' HB3' ' HA ' ' B' ' 95' ' ' ASP . 48.0 tptt -76.41 67.54 2.63 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.138 -177.573 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -109.07 172.6 6.75 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.696 -178.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 134' ' ' ARG . . . . . 0.621 ' HD3' ' O ' ' B' ' 134' ' ' ARG . 4.2 tmt_? -64.96 85.99 0.05 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.514 0.674 . . . . 0.0 109.824 174.502 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 135' ' ' GLN . . . . . 0.445 ' HG3' ' O ' ' B' ' 136' ' ' LYS . 29.8 pt20 -132.32 171.43 13.73 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.084 174.651 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 136' ' ' LYS . . . . . 0.445 ' O ' ' HG3' ' B' ' 135' ' ' GLN . 51.3 pttt -60.72 179.96 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 172.315 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -62.47 146.3 51.92 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.148 -0.621 . . . . 0.0 110.622 -176.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 54.7 mt -52.43 152.85 3.27 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 115.053 -0.976 . . . . 0.0 111.336 178.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . -80.93 -160.17 0.3 Allowed 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.327 -179.026 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 15.6 t -92.84 82.68 4.7 Favored 'General case' 0 N--CA 1.446 -0.651 0 C-N-CA 120.219 -0.592 . . . . 0.0 109.61 177.405 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 141' ' ' SER . . . . . 0.713 ' OG ' ' HA ' ' B' ' 124' ' ' VAL . 22.7 t . . . . . 0 C--O 1.246 0.88 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.913 176.296 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . 0.565 ' HB2' ' HD2' ' B' ' 2' ' ' PRO . 2.7 p30 . . . . . 0 N--CA 1.484 1.26 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . 0.565 ' HD2' ' HB2' ' B' ' 1' ' ' ASP . 2.9 Cg_exo -37.22 -45.0 1.39 Allowed 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 124.234 3.289 . . . . 0.0 114.424 175.418 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -85.73 -43.6 13.24 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.051 0.453 . . . . 0.0 110.774 -177.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . 0.564 ' HA ' ' CB ' ' B' ' 44' ' ' PRO . 80.8 mtt85 -88.79 99.33 12.29 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.582 0.706 . . . . 0.0 112.163 -174.5 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . 0.4 ' NE ' ' H ' ' B' ' 6' ' ' ALA . 0.0 OUTLIER -88.9 146.69 24.78 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 106.987 -1.486 . . . . 0.0 106.987 168.407 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.4 ' H ' ' NE ' ' B' ' 5' ' ' ARG . . . -63.84 146.82 96.81 Favored Pre-proline 0 C--N 1.323 -0.574 0 C-N-CA 120.444 -0.502 . . . . 0.0 111.095 -177.176 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . 0.442 ' HB3' ' NE ' ' B' ' 45' ' ' ARG . 1.6 Cg_endo -43.77 128.96 7.1 Favored 'Trans proline' 0 N--CA 1.472 0.236 0 C-N-CA 124.956 3.77 . . . . 0.0 115.979 -172.189 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 40.4 p -127.77 96.75 4.6 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.04 -0.982 . . . . 0.0 108.53 168.224 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' TRP . . . . . 0.746 ' HZ2' ' NH1' ' B' ' 45' ' ' ARG . 96.4 m95 -96.96 152.61 18.54 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 113.196 0.813 . . . . 0.0 113.196 -168.757 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . 0.423 ' OG ' ' HB2' ' B' ' 13' ' ' GLU . 5.2 p -127.15 163.03 44.5 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 114.282 -1.326 . . . . 0.0 109.484 175.052 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -49.86 -55.11 4.44 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 122.898 2.398 . . . . 0.0 113.814 -175.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -62.62 -38.66 91.09 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.364 0.602 . . . . 0.0 110.057 -179.208 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.468 ' HG2' ' CZ3' ' B' ' 9' ' ' TRP . 35.0 tt0 -59.09 -44.41 91.92 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.035 -0.984 . . . . 0.0 111.614 -173.467 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -74.38 -25.39 59.46 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.764 0.316 . . . . 0.0 111.113 178.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.29 -39.66 74.75 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.376 0.608 . . . . 0.0 109.6 174.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.47 ' HA ' ' CB ' ' B' ' 19' ' ' GLU . 21.4 t-160 -66.97 -26.16 66.68 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.166 -0.924 . . . . 0.0 110.237 174.525 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.661 HD11 HG23 ' B' ' 50' ' ' ILE . 37.4 tp -65.4 -48.81 71.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.411 0.624 . . . . 0.0 109.334 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . 0.795 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 37.5 ptt180 -75.48 -30.58 59.95 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 115.657 -0.702 . . . . 0.0 109.408 176.248 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . 0.47 ' CB ' ' HA ' ' B' ' 16' ' ' HIS . 10.3 tp10 -51.69 -53.48 38.66 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.853 0.835 . . . . 0.0 110.26 179.189 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.39 -31.0 69.1 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.825 -1.079 . . . . 0.0 111.342 -177.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 57.1 t80 -67.8 -49.69 60.94 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.173 179.052 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.795 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 53.3 mt -57.98 -25.16 60.67 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.386 -0.824 . . . . 0.0 111.183 -178.683 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.99 -52.39 7.89 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.973 0.416 . . . . 0.0 111.815 178.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -90.64 -4.19 56.98 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 113.01 0.745 . . . . 0.0 113.01 -169.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -62.91 -24.14 67.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.132 0.491 . . . . 0.0 110.65 178.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -75.03 -22.61 58.34 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.031 -177.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 17.5 t -78.98 107.39 11.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.22 -0.445 . . . . 0.0 109.866 -177.172 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -87.11 139.83 30.17 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.367 -177.179 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.29 -0.0 80.64 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.841 -0.695 . . . . 0.0 111.556 -178.263 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . 0.417 ' NE2' ' HB2' ' B' ' 35' ' ' ALA . 23.0 tt0 -108.31 145.36 34.54 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.139 0.495 . . . . 0.0 111.121 178.588 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -69.14 102.79 1.74 Allowed 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 167.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.458 HG12 ' O ' ' B' ' 66' ' ' PHE . 7.9 p -70.47 -26.55 29.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.515 -176.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . 0.732 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 0.3 OUTLIER -63.7 -51.83 65.08 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.536 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 -179.402 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.645 ' HA ' HD11 ' B' ' 37' ' ' LEU . 37.6 mt-10 -60.1 -33.65 72.4 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.885 178.056 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . 0.417 ' HB2' ' NE2' ' B' ' 30' ' ' GLN . . . -57.32 -45.85 83.82 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.425 0.631 . . . . 0.0 109.815 174.345 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.565 ' O ' ' HG ' ' B' ' 40' ' ' LEU . 35.6 mt -70.6 -64.16 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.216 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.732 ' HG ' ' O ' ' B' ' 33' ' ' VAL . 2.3 pp -65.39 -23.92 67.09 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 -169.601 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . 0.541 ' N ' HD12 ' B' ' 37' ' ' LEU . . . -89.17 -33.17 17.13 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -178.285 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 37.8 m-70 -75.77 -29.68 58.87 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.44 -0.504 . . . . 0.0 110.942 -177.17 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.586 HD12 ' O ' ' B' ' 40' ' ' LEU . 2.0 pp -97.2 127.36 43.09 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 120.289 -0.564 . . . . 0.0 110.463 172.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' ASN . . . . . 0.619 HD22 ' H ' ' B' ' 41' ' ' ASN . 0.1 OUTLIER -109.54 37.03 2.74 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.833 0.825 . . . . 0.0 109.36 177.31 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 9.0 t -88.56 -33.72 17.62 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.963 -1.017 . . . . 0.0 110.827 -176.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . 0.451 ' HA ' ' HD3' ' B' ' 44' ' ' PRO . 14.5 p -143.36 134.29 12.48 Favored Pre-proline 0 N--CA 1.451 -0.395 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.915 -176.687 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . 0.564 ' CB ' ' HA ' ' B' ' 4' ' ' ARG . 3.0 Cg_exo -75.94 121.51 6.26 Favored 'Trans proline' 0 CA--C 1.53 0.298 0 C-N-CA 122.716 2.277 . . . . 0.0 110.991 171.682 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.845 ' CZ ' ' HB3' ' B' ' 49' ' ' GLN . 17.5 mmm-85 -134.13 177.69 7.55 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-O 121.843 0.83 . . . . 0.0 111.664 -177.527 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . 0.404 ' OG1' ' HG2' ' B' ' 49' ' ' GLN . 5.9 p -103.77 159.19 15.84 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 113.66 -1.609 . . . . 0.0 107.74 168.588 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . 0.438 ' O ' HG13 ' B' ' 51' ' ' ILE . 7.6 mpt_? -55.36 -41.84 73.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.38 0.609 . . . . 0.0 109.458 176.127 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -56.98 -50.58 72.26 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.78 -1.1 . . . . 0.0 111.287 177.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.845 ' HB3' ' CZ ' ' B' ' 45' ' ' ARG . 13.2 mm-40 -57.03 -40.26 76.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.54 -0.755 . . . . 0.0 112.82 -176.406 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.719 HG13 HD23 ' B' ' 37' ' ' LEU . 11.4 mm -66.69 -52.05 49.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.245 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.55 HG12 ' CD2' ' B' ' 66' ' ' PHE . 67.5 mt -57.03 -41.97 78.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.116 -0.947 . . . . 0.0 109.48 -178.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -56.41 -54.86 40.61 Favored 'General case' 0 C--O 1.218 -0.568 0 CA-C-N 114.916 -1.038 . . . . 0.0 112.707 -176.554 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' HIS . . . . . 0.437 ' O ' ' HB2' ' B' ' 57' ' ' MET . 31.3 m-70 -58.65 -31.55 68.26 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 118.432 0.56 . . . . 0.0 111.824 -179.386 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . 0.438 ' HB3' HD11 ' B' ' 59' ' ' LEU . 40.5 mt -83.99 -46.5 11.99 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.565 -171.108 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . 0.446 HG22 ' O ' ' B' ' 51' ' ' ILE . 33.8 m -70.81 -24.65 25.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.222 0.534 . . . . 0.0 110.275 176.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -81.84 -18.55 43.52 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.069 177.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.437 ' HB2' ' O ' ' B' ' 53' ' ' HIS . 30.0 ttm -85.24 -2.58 58.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.049 0.452 . . . . 0.0 110.268 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 81.24 -2.65 80.83 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 121.049 -0.596 . . . . 0.0 112.79 176.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.438 HD11 ' HB3' ' B' ' 54' ' ' LEU . 4.1 pp -83.51 -17.55 41.52 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.282 0.563 . . . . 0.0 110.305 -179.664 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -133.02 155.91 48.33 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.241 -0.891 . . . . 0.0 109.457 174.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -85.62 -62.62 1.49 Allowed 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.341 -178.037 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 33.8 t -150.82 177.34 10.2 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.043 0.449 . . . . 0.0 111.314 -174.062 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' VAL . . . . . 0.495 HG22 HG21 ' B' ' 51' ' ' ILE . 89.7 t -55.76 -26.8 20.97 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.657 177.399 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 17.2 pttm -55.31 -37.38 67.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.759 178.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -80.6 -7.68 59.35 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.096 -0.956 . . . . 0.0 111.205 -176.384 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' PHE . . . . . 0.633 ' HD2' HG22 ' B' ' 33' ' ' VAL . 4.7 m-85 -105.12 -50.2 3.3 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 -172.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' GLN . . . . . 0.422 HE21 HG21 ' B' ' 33' ' ' VAL . 2.6 pt20 -160.04 24.61 0.17 Allowed 'General case' 0 N--CA 1.443 -0.797 0 C-N-CA 120.057 -0.657 . . . . 0.0 111.254 -168.672 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 9.9 mtt180 -132.35 145.75 51.48 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.411 0.624 . . . . 0.0 112.298 -174.078 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -103.05 -6.27 22.48 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 163.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -90.82 130.25 10.18 Favored Glycine 0 N--CA 1.444 -0.825 0 CA-C-N 114.359 -1.291 . . . . 0.0 112.555 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . 0.446 ' CB ' HH12 ' B' ' 113' ' ' ARG . 0.8 OUTLIER -120.96 173.18 7.41 Favored 'General case' 0 C--N 1.318 -0.799 0 C-N-CA 122.139 0.176 . . . . 0.0 110.99 -179.713 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 26.2 p-80 -60.42 116.66 4.46 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 107.27 -1.382 . . . . 0.0 107.27 166.172 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . 0.454 HG12 ' NH1' ' B' ' 113' ' ' ARG . 0.7 OUTLIER -126.02 127.81 71.33 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.303 0 C-N-CA 119.839 -0.745 . . . . 0.0 112.357 -171.241 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 11.2 m -75.71 149.16 6.94 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.846 0 CA-C-N 114.208 -1.36 . . . . 0.0 108.016 172.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.11 95.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.339 0.59 . . . . 0.0 111.922 -175.271 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 76' ' ' TRP . . . . . 0.689 ' CE3' ' HG2' ' B' ' 80' ' ' GLN . 73.8 m95 -94.45 108.85 20.76 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.201 0.524 . . . . 0.0 110.366 179.772 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 46.8 p -103.34 176.03 5.28 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.432 174.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -60.03 -40.35 96.92 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.254 -0.974 . . . . 0.0 110.813 172.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -58.84 -59.37 5.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.066 -0.567 . . . . 0.0 110.916 176.45 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 80' ' ' GLN . . . . . 0.689 ' HG2' ' CE3' ' B' ' 76' ' ' TRP . 34.4 tt0 -57.77 -43.01 85.21 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.608 -175.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -67.61 -43.24 80.92 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.777 -177.132 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 21.3 tp -68.35 -38.07 81.1 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.912 177.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -61.73 -46.37 89.94 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.377 -177.093 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . 0.577 HD12 ' NH1' ' B' ' 109' ' ' ARG . 10.3 tt -67.29 -35.98 80.58 Favored 'General case' 0 C--O 1.224 -0.279 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 177.321 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . 0.44 ' HG2' HD21 ' B' ' 123' ' ' LEU . 1.0 OUTLIER -55.39 -52.42 63.61 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 123.343 0.402 . . . . 0.0 110.201 178.46 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 71.7 mtm180 -66.84 -36.68 82.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.486 -179.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 20.4 tp -70.55 -44.86 66.58 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.749 -177.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.67 ' O ' ' HB2' ' B' ' 92' ' ' ARG . 8.1 t80 -45.92 -47.12 16.36 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.756 175.187 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -64.72 -44.38 90.38 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.45 0.643 . . . . 0.0 111.25 -179.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -72.68 -42.56 64.14 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.135 -0.939 . . . . 0.0 112.297 -169.083 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -98.44 17.63 18.47 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.842 0.353 . . . . 0.0 111.306 -179.089 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 92' ' ' ARG . . . . . 0.67 ' HB2' ' O ' ' B' ' 88' ' ' PHE . 46.7 ttt180 -75.31 -11.69 60.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.652 -179.17 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -73.65 6.3 3.24 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.785 0.802 . . . . 0.0 110.519 177.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 4.8 m -103.07 160.97 14.16 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 178.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 95' ' ' ASP . . . . . 0.415 ' HA ' ' HG2' ' B' ' 132' ' ' LYS . 5.9 t70 -65.85 -48.44 71.62 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.183 0.516 . . . . 0.0 109.833 -179.027 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -105.06 99.57 9.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.432 170.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 97' ' ' VAL . . . . . 0.484 ' O ' HG13 ' B' ' 101' ' ' ILE . 10.2 p -64.67 -39.69 86.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 C-N-CA 120.333 -0.547 . . . . 0.0 110.076 178.714 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . 0.762 ' O ' ' HG3' ' B' ' 102' ' ' MET . 3.2 mp -58.87 -41.14 86.36 Favored 'General case' 0 C--O 1.22 -0.462 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.279 179.709 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -53.37 -44.63 66.05 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 121.211 -0.519 . . . . 0.0 113.093 -178.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 64.8 m-70 -81.17 -25.0 37.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.859 0.362 . . . . 0.0 110.46 -179.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 101' ' ' ILE . . . . . 0.484 HG13 ' O ' ' B' ' 97' ' ' VAL . 57.2 mt -61.28 -56.82 15.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.979 172.001 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 102' ' ' MET . . . . . 0.762 ' HG3' ' O ' ' B' ' 98' ' ' LEU . 18.6 mtp -64.37 -27.67 69.17 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.167 0.508 . . . . 0.0 110.309 -175.156 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -75.38 -44.3 45.57 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.502 -176.342 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -105.07 0.47 27.57 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -169.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 105' ' ' ILE . . . . . 0.441 HG13 ' N ' ' B' ' 106' ' ' THR . 11.1 tp -91.48 158.83 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.265 0.555 . . . . 0.0 110.89 -177.738 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 106' ' ' THR . . . . . 0.441 ' N ' HG13 ' B' ' 105' ' ' ILE . 6.5 t -71.45 -36.74 71.33 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.243 -0.89 . . . . 0.0 111.822 -176.119 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . 0.622 ' HB3' ' NH2' ' B' ' 109' ' ' ARG . . . -98.52 127.56 44.5 Favored 'General case' 0 CA--C 1.509 -0.596 0 CA-C-O 120.811 0.338 . . . . 0.0 110.445 -178.555 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 10.6 mmmm -90.01 107.63 19.24 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 -178.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 109' ' ' ARG . . . . . 0.622 ' NH2' ' HB3' ' B' ' 107' ' ' ALA . 10.2 ptp85 -132.6 169.17 17.01 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.958 -173.46 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 110' ' ' SER . . . . . 0.426 ' O ' HG13 ' B' ' 114' ' ' ILE . 2.0 m -94.06 161.56 14.23 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.612 0.244 . . . . 0.0 111.096 -176.514 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 89.9 mtt180 -68.57 -43.78 75.84 Favored 'General case' 0 CA--C 1.513 -0.476 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -175.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -56.51 -30.34 62.9 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.649 0.738 . . . . 0.0 110.361 -179.433 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . 0.454 ' NH1' HG12 ' B' ' 73' ' ' ILE . 0.0 OUTLIER -79.68 -34.72 40.04 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.043 179.633 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 114' ' ' ILE . . . . . 0.55 HG23 HD11 ' B' ' 84' ' ' LEU . 98.8 mt -71.79 -43.62 69.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.566 178.398 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 115' ' ' VAL . . . . . 0.457 ' O ' HD23 ' B' ' 119' ' ' LEU . 25.5 t -52.9 -54.61 15.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.038 -0.983 . . . . 0.0 111.544 -179.641 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -58.95 -35.84 73.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.108 0.48 . . . . 0.0 110.63 178.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . 0.521 ' O ' HD13 ' B' ' 121' ' ' LEU . 14.8 tppt? -63.63 -36.33 83.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.926 -179.736 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 21.1 mt -64.63 -45.52 86.48 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 121.095 0.474 . . . . 0.0 110.424 176.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 119' ' ' LEU . . . . . 0.457 HD23 ' O ' ' B' ' 115' ' ' VAL . 4.4 mm? -62.87 -31.37 72.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.592 -179.137 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -74.2 -39.56 63.08 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.274 -0.875 . . . . 0.0 111.061 -178.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 121' ' ' LEU . . . . . 0.521 HD13 ' O ' ' B' ' 117' ' ' LYS . 9.8 mp -75.33 -25.83 58.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.108 0.48 . . . . 0.0 110.91 175.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 80.98 31.62 34.69 Favored Glycine 0 N--CA 1.444 -0.823 0 C-N-CA 120.728 -0.749 . . . . 0.0 111.455 -172.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . 0.441 ' HB3' ' CE1' ' B' ' 88' ' ' PHE . 69.3 mt -76.04 -24.21 55.17 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-O 121.849 0.833 . . . . 0.0 109.065 176.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 124' ' ' VAL . . . . . 0.544 HG21 HD21 ' B' ' 130' ' ' LEU . 34.1 m -137.63 174.84 10.5 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 114.219 -1.355 . . . . 0.0 109.397 175.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -114.31 -7.43 12.94 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.157 0.503 . . . . 0.0 110.632 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 126' ' ' GLU . . . . . 0.425 ' O ' HD21 ' B' ' 130' ' ' LEU . 13.8 pt-20 -171.15 174.53 4.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.376 -175.264 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 127' ' ' ARG . . . . . 0.68 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 12.0 mpt_? -77.84 -21.08 51.99 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.796 0.332 . . . . 0.0 111.522 -179.615 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 128' ' ' ARG . . . . . . . . . . . . . 6.0 ttm180 -58.48 -34.62 71.09 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.288 0.566 . . . . 0.0 111.053 -179.425 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -84.93 -5.79 59.34 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.393 -0.821 . . . . 0.0 112.632 -170.195 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 130' ' ' LEU . . . . . 0.68 ' HG ' ' O ' ' B' ' 127' ' ' ARG . 0.3 OUTLIER -82.81 -12.86 57.13 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.576 0.703 . . . . 0.0 109.585 -176.423 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 131' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -123.11 111.53 16.64 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 -179.147 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . 0.415 ' HG2' ' HA ' ' B' ' 95' ' ' ASP . 17.9 pttm -55.11 128.1 32.2 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.705 0.764 . . . . 0.0 110.769 -168.548 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -123.79 166.8 14.98 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.293 -0.867 . . . . 0.0 108.85 -177.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 134' ' ' ARG . . . . . 0.544 ' HD2' ' N ' ' B' ' 134' ' ' ARG . 0.5 OUTLIER -77.2 91.52 3.75 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.516 0.674 . . . . 0.0 109.58 173.475 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -67.25 169.74 8.27 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.63 -1.168 . . . . 0.0 110.887 -176.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 63.3 pttt -67.95 -172.47 0.29 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.071 175.014 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 137' ' ' LYS . . . . . 0.613 ' HE2' ' O ' ' B' ' 137' ' ' LYS . 0.0 OUTLIER -74.07 80.56 1.73 Allowed 'General case' 0 C--O 1.223 -0.337 0 CA-C-O 121.988 0.899 . . . . 0.0 110.197 178.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 12.7 tp -146.19 168.02 22.04 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 121.033 -1.042 . . . . 0.0 109.984 176.566 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . -63.66 141.93 58.58 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 173.205 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 14.9 m -53.24 128.33 27.68 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 177.255 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 141' ' ' SER . . . . . . . . . . . . . 47.7 t . . . . . 0 C--O 1.253 1.242 0 CA-C-O 118.726 -0.654 . . . . 0.0 109.649 -170.162 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . 0.441 ' HA ' ' HD3' ' B' ' 2' ' ' PRO . 1.3 m-20 . . . . . 0 N--CA 1.481 1.083 0 CA-C-O 120.554 0.216 . . . . 0.0 110.809 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' B' ' 1' ' ' ASP . 6.9 Cg_exo -74.69 -22.7 15.26 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.718 2.279 . . . . 0.0 112.066 177.124 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 12.8 p -83.92 43.94 0.96 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.921 -0.582 . . . . 0.0 112.471 -172.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 78.2 mtm180 -99.44 -165.43 1.23 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 176.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 20.7 tpp180 -41.25 108.36 0.09 Allowed 'General case' 0 N--CA 1.467 0.413 0 O-C-N 123.588 0.555 . . . . 0.0 111.993 -179.058 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.4 ' HA ' ' HD2' ' B' ' 7' ' ' PRO . . . -67.06 135.71 93.99 Favored Pre-proline 0 C--O 1.236 0.368 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.99 179.454 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . 0.435 ' HG2' HG12 ' B' ' 43' ' ' VAL . 5.6 Cg_endo -51.46 146.28 25.99 Favored 'Trans proline' 0 C--O 1.236 0.417 0 C-N-CA 123.502 2.801 . . . . 0.0 113.257 179.218 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 29.8 m -65.42 129.38 39.53 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.54 172.123 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' TRP . . . . . 0.452 ' CE3' ' HG2' ' B' ' 13' ' ' GLU . 90.6 m95 -53.12 119.52 4.81 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-O 121.239 0.542 . . . . 0.0 111.532 -175.739 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 6.9 m -95.78 162.26 24.78 Favored Pre-proline 0 C--N 1.318 -0.778 0 CA-C-N 115.213 -0.903 . . . . 0.0 109.924 -177.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -44.21 -55.72 2.98 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 123.263 2.642 . . . . 0.0 114.024 -176.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -69.91 -29.27 66.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.088 0.471 . . . . 0.0 110.673 -177.159 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.452 ' HG2' ' CE3' ' B' ' 9' ' ' TRP . 15.2 tt0 -71.48 -42.53 67.97 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.341 -176.403 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . 0.421 ' CG ' ' HB3' ' B' ' 9' ' ' TRP . 45.7 mt-10 -66.46 -36.18 82.13 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.416 175.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . 0.519 ' O ' ' HG2' ' B' ' 18' ' ' ARG . . . -69.21 -42.83 75.21 Favored 'General case' 0 C--O 1.218 -0.554 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.527 178.31 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.421 ' HA ' ' HB3' ' B' ' 19' ' ' GLU . 13.5 t-160 -60.66 -29.51 69.33 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.385 175.459 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.553 HD11 HG23 ' B' ' 50' ' ' ILE . 20.0 tp -63.24 -50.67 69.3 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.183 177.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . 0.713 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 33.5 ptt180 -70.46 -35.45 73.33 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 175.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . 0.421 ' HB3' ' HA ' ' B' ' 16' ' ' HIS . 17.5 tp10 -48.65 -51.9 25.94 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.595 0.712 . . . . 0.0 110.731 -178.728 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.451 HD11 ' CB ' ' B' ' 39' ' ' HIS . 0.3 OUTLIER -69.07 -36.14 77.3 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.618 -1.174 . . . . 0.0 111.579 -177.58 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -68.21 -52.2 36.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.135 0.493 . . . . 0.0 110.095 -179.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.713 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 45.6 mt -59.02 -24.71 63.05 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.319 -176.037 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -84.05 -57.04 3.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.732 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' ASN . . . . . 0.446 ' ND2' HD23 ' B' ' 20' ' ' LEU . 35.3 m-80 -88.58 7.04 35.25 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -170.588 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -69.53 -18.94 63.71 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 111.75 0.278 . . . . 0.0 111.75 -178.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -95.37 4.77 53.04 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.736 0.303 . . . . 0.0 111.339 -175.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 37.7 t -88.26 119.12 35.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 179.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -92.92 138.08 31.8 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.894 -173.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.02 9.04 83.13 Favored Glycine 0 CA--C 1.509 -0.296 0 N-CA-C 111.355 -0.698 . . . . 0.0 111.355 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -118.8 149.73 41.0 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.21 -0.495 . . . . 0.0 110.341 -176.524 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -82.24 104.0 12.24 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 172.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.542 ' O ' HG13 ' B' ' 36' ' ' ILE . 9.8 p -61.56 -32.19 52.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 178.514 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . 0.754 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 2.0 t -58.85 -57.25 12.06 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 CA-C-N 115.114 -0.948 . . . . 0.0 110.126 176.77 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.436 ' HA ' HD12 ' B' ' 37' ' ' LEU . 4.2 tm-20 -54.19 -40.28 67.43 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.769 -178.556 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.27 -50.43 73.63 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.28 178.267 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.542 HG13 ' O ' ' B' ' 32' ' ' VAL . 45.2 mt -65.8 -55.81 17.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.089 -178.774 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.754 ' HG ' ' O ' ' B' ' 33' ' ' VAL . 10.5 mt -49.59 -42.34 44.31 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 123.68 0.612 . . . . 0.0 111.326 -175.537 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.91 -35.49 16.47 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 -170.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' HIS . . . . . 0.451 ' CB ' HD11 ' B' ' 20' ' ' LEU . 36.0 m-70 -78.12 -10.55 59.68 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.445 -0.502 . . . . 0.0 111.999 -173.177 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' B' ' 36' ' ' ILE . 0.7 OUTLIER -114.89 80.76 1.46 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.887 0.851 . . . . 0.0 110.967 170.548 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -82.33 39.4 0.59 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.785 0.802 . . . . 0.0 110.252 179.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . 0.402 ' H ' ' C ' ' B' ' 40' ' ' LEU . 6.1 t -94.73 -10.87 30.31 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 114.821 -1.082 . . . . 0.0 109.143 176.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . 0.435 HG12 ' HG2' ' B' ' 7' ' ' PRO . 12.7 m -136.43 125.09 15.3 Favored Pre-proline 0 N--CA 1.452 -0.332 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.27 -178.315 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -76.66 89.13 1.31 Allowed 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 122.347 2.032 . . . . 0.0 110.374 169.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 14.7 mtt85 -136.27 170.17 16.46 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.093 0.473 . . . . 0.0 111.812 -173.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 14.5 t -109.0 -173.36 2.25 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.162 -178.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . 0.404 ' HD2' HD13 ' B' ' 37' ' ' LEU . 17.7 mmt180 -61.9 -49.76 74.91 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.879 -174.197 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt -54.97 -38.87 68.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.036 -0.984 . . . . 0.0 112.064 -175.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.74 -62.35 1.8 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.894 -175.711 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.553 HG23 HD11 ' B' ' 17' ' ' LEU . 1.9 mp -59.8 -47.91 89.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.09 -176.309 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.531 HD13 ' HG2' ' B' ' 67' ' ' GLN . 94.6 mt -53.6 -51.91 38.44 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.401 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.477 -178.17 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -57.08 -44.04 82.73 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.915 -174.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' HIS . . . . . 0.576 ' O ' ' HB2' ' B' ' 57' ' ' MET . 40.9 m-70 -71.51 -22.82 61.73 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.994 -176.532 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . 0.504 HD22 HD11 ' B' ' 59' ' ' LEU . 77.7 mt -74.64 -48.52 25.84 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.179 0.514 . . . . 0.0 110.053 179.394 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 9.0 m -73.78 -26.06 21.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.221 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -79.76 -25.24 41.07 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.031 178.001 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.576 ' HB2' ' O ' ' B' ' 53' ' ' HIS . 27.9 ttm -79.59 -9.03 59.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.214 0.531 . . . . 0.0 110.405 -178.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 86.41 -0.34 86.99 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.715 177.015 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.504 HD11 HD22 ' B' ' 54' ' ' LEU . 4.5 pp -87.12 -19.88 27.88 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.297 0.57 . . . . 0.0 110.095 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -121.41 169.89 10.18 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.329 -0.85 . . . . 0.0 109.536 174.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -88.41 -66.2 0.94 Allowed 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.637 -0.425 . . . . 0.0 111.415 -177.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 10.7 t -160.56 174.2 14.39 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.174 0.512 . . . . 0.0 111.576 -174.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 79.4 t -62.52 -25.07 37.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.247 179.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . 0.876 ' HA ' ' O ' ' B' ' 68' ' ' ARG . 51.1 mtmt -60.74 -25.69 66.64 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.786 -178.482 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -89.16 -8.19 54.16 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.786 -178.017 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -113.75 -46.24 3.05 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.061 -176.048 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' GLN . . . . . 0.531 ' HG2' HD13 ' B' ' 51' ' ' ILE . 30.7 mm-40 -114.0 -77.26 0.58 Allowed 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -172.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' ARG . . . . . 0.876 ' O ' ' HA ' ' B' ' 64' ' ' LYS . 15.6 ptt180 -130.17 148.78 52.04 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.534 -176.223 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . 0.404 ' N ' ' HD2' ' B' ' 69' ' ' LYS . 4.5 mptp? -78.65 64.19 3.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.629 0.728 . . . . 0.0 110.086 175.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -157.12 140.3 7.04 Favored Glycine 0 N--CA 1.438 -1.179 0 N-CA-C 110.6 -1.0 . . . . 0.0 110.6 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 10.5 p -81.12 -166.06 1.06 Allowed 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.201 0.524 . . . . 0.0 111.322 -176.175 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 8.1 p80 -74.0 -3.96 32.43 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.945 174.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . 0.403 HG23 ' HD1' ' B' ' 76' ' ' TRP . 0.5 OUTLIER -13.18 120.16 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 N-CA-C 115.231 1.567 . . . . 0.0 115.231 -157.34 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . 0.423 HG13 ' NE1' ' B' ' 76' ' ' TRP . 0.9 OUTLIER -54.57 142.93 7.59 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.632 0 CA-C-N 112.996 -1.911 . . . . 0.0 109.5 174.101 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.468 ' O ' HD12 ' B' ' 75' ' ' LEU . 0.4 OUTLIER -48.89 98.05 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.518 0.675 . . . . 0.0 112.805 -177.016 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 76' ' ' TRP . . . . . 0.423 ' NE1' HG13 ' B' ' 74' ' ' VAL . 87.1 m95 -102.2 109.71 21.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.411 176.723 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 77' ' ' THR . . . . . 0.415 ' OG1' ' HB2' ' B' ' 80' ' ' GLN . 60.8 p -109.97 -178.26 3.48 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.676 179.609 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -59.79 -40.05 96.16 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.043 177.214 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -80.88 -42.01 22.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.963 -0.118 . . . . 0.0 111.061 179.599 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 80' ' ' GLN . . . . . 0.415 ' HB2' ' OG1' ' B' ' 77' ' ' THR . 0.0 OUTLIER -59.59 -32.6 70.53 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.003 0.43 . . . . 0.0 109.874 179.422 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -64.98 -51.71 60.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.458 176.157 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 30.0 tp -60.73 -40.85 93.89 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.99 -178.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . 0.528 ' O ' ' HB2' ' B' ' 87' ' ' LEU . 5.6 mm-40 -59.07 -30.32 67.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.865 179.5 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . 0.452 HD23 ' NH1' ' B' ' 109' ' ' ARG . 3.0 tm? -73.67 -45.96 49.37 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.188 175.38 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -58.2 -55.91 28.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.249 -176.422 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 86' ' ' ARG . . . . . 0.485 ' O ' ' HB2' ' B' ' 90' ' ' GLU . 40.9 mtp180 -57.1 -48.08 79.48 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.362 0.601 . . . . 0.0 110.168 -178.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . 0.544 ' CD2' HG12 ' B' ' 101' ' ' ILE . 17.9 tp -51.68 -54.12 31.56 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.49 -1.232 . . . . 0.0 110.565 177.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.621 ' HA ' HG23 ' B' ' 97' ' ' VAL . 58.1 t80 -57.95 -67.31 0.35 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.164 -0.926 . . . . 0.0 112.818 179.671 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -61.14 -36.1 78.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.052 0.453 . . . . 0.0 112.207 -169.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . 0.485 ' HB2' ' O ' ' B' ' 86' ' ' ARG . 4.2 mm-40 -80.38 -19.9 45.28 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 -172.019 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -121.25 6.8 10.19 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -178.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 92' ' ' ARG . . . . . 0.601 ' HA ' ' CG1' ' B' ' 97' ' ' VAL . 5.0 ptm180 -76.03 -11.92 60.03 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -172.762 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -70.72 -27.09 63.71 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 121.413 0.625 . . . . 0.0 110.294 178.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 26.3 t -106.97 178.55 4.53 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.163 178.28 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 95' ' ' ASP . . . . . 0.481 ' HB2' ' HD3' ' B' ' 132' ' ' LYS . 20.8 t70 -63.27 -23.7 67.54 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.586 0.708 . . . . 0.0 110.031 175.239 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 96' ' ' ASP . . . . . 0.644 ' HB3' ' CG ' ' B' ' 100' ' ' HIS . 3.1 m-20 -89.4 43.82 1.17 Allowed 'General case' 0 N--CA 1.442 -0.872 0 CA-C-N 115.43 -0.805 . . . . 0.0 112.592 -167.509 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 97' ' ' VAL . . . . . 0.734 ' O ' HG13 ' B' ' 101' ' ' ILE . 0.6 OUTLIER -88.54 -65.55 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 C-N-CA 119.453 -0.899 . . . . 0.0 109.884 157.414 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 5.0 tp -72.88 -48.98 32.73 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 114.733 -1.121 . . . . 0.0 110.701 -167.553 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 99' ' ' GLY . . . . . 0.61 ' O ' ' HE3' ' B' ' 103' ' ' LYS . . . -59.95 -43.03 98.5 Favored Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.818 -0.706 . . . . 0.0 111.953 175.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . 0.644 ' CG ' ' HB3' ' B' ' 96' ' ' ASP . 2.2 m170 -70.38 -17.6 63.04 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 122.704 -0.292 . . . . 0.0 111.455 -177.722 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 101' ' ' ILE . . . . . 0.776 ' O ' HG22 ' B' ' 105' ' ' ILE . 65.1 mt -61.51 -65.31 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.817 0.818 . . . . 0.0 108.853 170.013 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.31 -14.36 62.84 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 114.737 -1.12 . . . . 0.0 111.74 -174.062 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 103' ' ' LYS . . . . . 0.61 ' HE3' ' O ' ' B' ' 99' ' ' GLY . 0.0 OUTLIER -94.07 -51.36 4.88 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.627 175.059 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -113.6 -4.66 13.45 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 114.653 1.353 . . . . 0.0 114.653 -163.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 105' ' ' ILE . . . . . 0.776 HG22 ' O ' ' B' ' 101' ' ' ILE . 10.5 tp -91.53 157.34 2.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 C-N-CA 118.901 -1.119 . . . . 0.0 110.039 177.1 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 12.3 t -55.76 -29.65 59.94 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.238 -0.892 . . . . 0.0 112.149 -177.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -106.92 127.88 53.82 Favored 'General case' 0 CA--C 1.514 -0.422 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.852 -176.094 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 108' ' ' LYS . . . . . 0.417 ' HD2' ' N ' ' B' ' 108' ' ' LYS . 0.0 OUTLIER -86.22 100.9 12.57 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.641 0.734 . . . . 0.0 109.631 177.447 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 109' ' ' ARG . . . . . 0.452 ' NH1' HD23 ' B' ' 84' ' ' LEU . 43.4 mtt180 -111.07 155.44 22.79 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 114.829 -1.078 . . . . 0.0 109.559 -176.058 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 110' ' ' SER . . . . . 0.518 ' O ' ' HG2' ' B' ' 113' ' ' ARG . 19.8 m -96.82 164.42 12.57 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 177.534 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 111' ' ' ARG . . . . . 0.459 ' O ' HG23 ' B' ' 115' ' ' VAL . 12.8 mmt85 -56.51 -53.06 61.93 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 -172.036 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -55.64 -42.67 75.33 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.662 0.615 . . . . 0.0 112.662 -173.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . 0.518 ' HG2' ' O ' ' B' ' 110' ' ' SER . 9.3 ptp180 -74.35 -27.32 60.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.824 0.345 . . . . 0.0 110.864 -175.132 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 91.4 mt -74.09 -48.06 39.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.5 0.666 . . . . 0.0 109.552 176.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 115' ' ' VAL . . . . . 0.544 ' O ' HD23 ' B' ' 119' ' ' LEU . 79.0 t -57.58 -49.5 80.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 114.662 -1.154 . . . . 0.0 110.863 179.213 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -57.34 -33.24 67.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.056 179.172 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . 0.414 ' O ' HD13 ' B' ' 121' ' ' LEU . 1.0 OUTLIER -73.93 -36.5 64.69 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.879 -177.444 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . 0.451 ' CD2' HD11 ' B' ' 84' ' ' LEU . 25.7 mt -62.13 -42.08 98.89 Favored 'General case' 0 CA--C 1.512 -0.481 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.288 176.68 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 119' ' ' LEU . . . . . 0.544 HD23 ' O ' ' B' ' 115' ' ' VAL . 4.5 mm? -66.54 -23.95 66.3 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.402 -179.695 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -83.81 -44.79 13.99 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.603 -178.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 121' ' ' LEU . . . . . 0.414 HD13 ' O ' ' B' ' 117' ' ' LYS . 10.2 mp -69.58 -24.54 63.7 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-O 121.378 0.609 . . . . 0.0 110.171 173.596 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 74.44 35.34 52.33 Favored Glycine 0 N--CA 1.439 -1.104 0 CA-C-N 115.125 -0.943 . . . . 0.0 111.603 -174.324 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . 0.604 ' HB3' ' CE2' ' B' ' 88' ' ' PHE . 57.8 mt -77.03 -23.33 52.13 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 121.794 0.807 . . . . 0.0 108.865 176.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 124' ' ' VAL . . . . . 0.496 HG21 ' CD2' ' B' ' 130' ' ' LEU . 35.5 m -136.83 166.02 26.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 114.389 -1.278 . . . . 0.0 109.276 173.341 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -108.44 -7.18 15.87 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-O 121.378 0.609 . . . . 0.0 109.75 177.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -166.03 175.68 8.33 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.645 -175.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 127' ' ' ARG . . . . . 0.64 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 0.2 OUTLIER -78.87 -25.68 43.96 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -176.289 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 128' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -53.05 -37.11 61.31 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -71.78 -12.72 61.44 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -172.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 130' ' ' LEU . . . . . 0.64 ' HG ' ' O ' ' B' ' 127' ' ' ARG . 0.1 OUTLIER -111.21 16.07 21.18 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.783 0.325 . . . . 0.0 111.332 -177.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 131' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -123.13 130.95 53.45 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 177.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . 0.481 ' HD3' ' HB2' ' B' ' 95' ' ' ASP . 18.9 pttm -47.23 97.57 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.895 0.855 . . . . 0.0 111.924 -179.703 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -126.71 106.37 9.33 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.17 -0.923 . . . . 0.0 108.554 178.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 134' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -76.78 80.52 3.39 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.791 0.805 . . . . 0.0 110.199 -176.051 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -105.6 161.54 14.28 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 114.369 -1.287 . . . . 0.0 109.31 178.149 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -72.21 176.34 5.28 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 177.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 137' ' ' LYS . . . . . 0.594 ' HD3' ' H ' ' B' ' 137' ' ' LYS . 0.0 OUTLIER -56.66 90.16 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.652 0 CA-C-O 122.175 0.988 . . . . 0.0 112.876 -170.896 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 51.0 tp -139.2 138.02 36.52 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.533 178.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . -86.63 -170.64 3.17 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.301 177.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 35.0 m -70.32 99.73 1.6 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.187 0.518 . . . . 0.0 110.344 178.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 141' ' ' SER . . . . . . . . . . . . . 9.3 t . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.553 -0.737 . . . . 0.0 109.663 -175.706 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 N--CA 1.482 1.138 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -46.97 -67.29 0.12 Allowed 'Trans proline' 0 C--N 1.357 0.987 0 C-N-CA 124.012 3.142 . . . . 0.0 115.537 -168.081 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 38.0 t -78.69 -56.08 4.69 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.941 0.4 . . . . 0.0 111.821 -171.071 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . 0.442 HH11 ' HD3' ' B' ' 4' ' ' ARG . 1.5 ptm180 -151.31 -167.2 2.73 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.025 -175.174 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -69.93 131.0 43.74 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 172.197 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.25 152.0 95.74 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.793 179.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -81.18 -178.89 4.63 Favored 'Trans proline' 0 N--CA 1.457 -0.649 0 C-N-CA 122.485 2.124 . . . . 0.0 111.722 178.07 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 5.2 p -99.18 130.99 45.52 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 120.962 0.411 . . . . 0.0 110.755 178.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' TRP . . . . . 0.424 ' HE1' ' NE ' ' B' ' 45' ' ' ARG . 81.4 m95 -68.96 144.94 54.01 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.256 -178.569 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 21.1 p -123.34 154.71 65.75 Favored Pre-proline 0 C--N 1.318 -0.781 0 CA-C-N 115.245 -0.888 . . . . 0.0 108.828 175.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_exo -46.77 -34.87 16.59 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.935 2.423 . . . . 0.0 113.029 179.009 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -63.37 -55.11 27.1 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.049 0.452 . . . . 0.0 110.786 175.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.4 ' CD ' HG21 ' B' ' 42' ' ' THR . 4.7 tp10 -68.77 -31.05 69.8 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.628 -174.285 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -71.61 -34.18 69.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.849 0.357 . . . . 0.0 110.58 177.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.23 -32.07 71.05 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.49 0.662 . . . . 0.0 109.927 174.044 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.532 ' HA ' ' HB3' ' B' ' 19' ' ' GLU . 19.0 t-160 -72.63 -25.72 61.4 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.112 -0.949 . . . . 0.0 110.105 175.07 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.512 HD11 HG23 ' B' ' 50' ' ' ILE . 28.4 tp -68.63 -49.64 57.59 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.671 177.291 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . 0.753 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 13.3 ptm180 -68.32 -32.63 72.88 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 173.694 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . 0.532 ' HB3' ' HA ' ' B' ' 16' ' ' HIS . 14.3 tp10 -49.97 -47.32 52.75 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-O 121.433 0.635 . . . . 0.0 110.254 175.569 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.439 HD11 ' HB2' ' B' ' 39' ' ' HIS . 0.2 OUTLIER -65.05 -43.14 93.28 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.436 179.825 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 91.1 t80 -70.24 -46.86 63.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.753 -174.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.753 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 48.0 mt -64.06 -25.67 68.21 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.105 -176.51 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.48 -44.35 14.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.822 0.344 . . . . 0.0 111.538 178.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' ASN . . . . . 0.52 ' O ' HG12 ' B' ' 27' ' ' VAL . 35.4 m-80 -92.72 7.51 43.25 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -173.002 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 14.8 ptmm? -84.86 -12.82 52.71 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.442 0.639 . . . . 0.0 109.463 172.201 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -81.25 -20.46 40.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.641 -178.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . 0.52 HG12 ' O ' ' B' ' 24' ' ' ASN . 12.9 p -89.4 138.73 18.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.275 -176.333 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -114.5 140.53 48.66 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.77 179.339 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.41 6.71 65.96 Favored Glycine 0 N--CA 1.449 -0.479 0 N-CA-C 111.315 -0.714 . . . . 0.0 111.315 -177.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -127.21 148.75 50.19 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.249 0.547 . . . . 0.0 111.053 -178.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -68.94 112.15 5.42 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.324 172.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.716 ' O ' HG13 ' B' ' 36' ' ' ILE . 8.4 p -69.91 -42.52 79.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 C-N-CA 119.725 -0.79 . . . . 0.0 109.429 174.791 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . 0.746 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 4.9 t -57.54 -59.84 2.82 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.695 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.567 -179.209 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.427 ' HA ' HD12 ' B' ' 37' ' ' LEU . 23.9 tt0 -67.88 -22.71 65.09 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.477 -174.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . 0.455 ' O ' ' HD2' ' B' ' 39' ' ' HIS . . . -62.3 -50.56 71.18 Favored 'General case' 0 CA--C 1.515 -0.4 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 172.39 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.716 HG13 ' O ' ' B' ' 32' ' ' VAL . 49.0 mt -60.9 -54.94 28.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 114.611 -1.177 . . . . 0.0 110.687 178.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.746 ' HG ' ' O ' ' B' ' 33' ' ' VAL . 7.2 mt -53.69 -29.98 41.44 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.033 -178.141 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.91 -41.98 12.1 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 -172.169 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' HIS . . . . . 0.455 ' HD2' ' O ' ' B' ' 35' ' ' ALA . 47.4 m-70 -74.47 -29.09 61.31 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-O 121.027 0.441 . . . . 0.0 110.348 -173.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 11.9 mt -79.75 81.89 5.94 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.474 178.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 46.2 m-80 -88.18 36.28 0.77 Allowed 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.679 0.752 . . . . 0.0 109.037 175.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . 0.4 HG21 ' CD ' ' B' ' 13' ' ' GLU . 5.5 t -109.05 -30.21 8.18 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.775 -1.102 . . . . 0.0 110.312 177.609 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . 0.424 ' HB ' ' HG3' ' B' ' 45' ' ' ARG . 3.1 m -124.13 104.18 32.55 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-N 116.175 -0.466 . . . . 0.0 112.006 -174.134 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -73.85 89.66 0.99 Allowed 'Trans proline' 0 N--CA 1.46 -0.461 0 C-N-CA 122.245 1.964 . . . . 0.0 111.06 172.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.424 ' NE ' ' HE1' ' B' ' 9' ' ' TRP . 48.9 mtp85 -133.85 176.22 8.76 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 -177.616 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . 0.71 HG22 ' NE2' ' B' ' 49' ' ' GLN . 5.4 t -86.46 175.47 8.36 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.258 -0.577 . . . . 0.0 110.083 178.703 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . 0.551 ' HD2' HD13 ' B' ' 37' ' ' LEU . 15.0 mmt180 -65.6 -41.88 92.3 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.222 0.534 . . . . 0.0 110.276 -173.688 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.444 ' HG3' ' CD2' ' B' ' 52' ' ' HIS . 25.5 ttpt -58.1 -34.28 70.02 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.184 -0.916 . . . . 0.0 112.438 178.603 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.71 ' NE2' HG22 ' B' ' 46' ' ' THR . 1.0 OUTLIER -59.96 -48.3 82.26 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -173.391 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.512 HG23 HD11 ' B' ' 17' ' ' LEU . 1.7 mp -61.52 -49.31 84.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.085 0.469 . . . . 0.0 110.282 176.177 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 77.2 mt -52.89 -44.45 49.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.082 -0.963 . . . . 0.0 111.401 -177.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' HIS . . . . . 0.444 ' CD2' ' HG3' ' B' ' 48' ' ' LYS . 2.0 m-70 -62.24 -46.95 86.55 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.457 -0.792 . . . . 0.0 112.489 -174.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' HIS . . . . . 0.499 ' O ' ' HB2' ' B' ' 57' ' ' MET . 90.2 m-70 -66.9 -23.02 65.94 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.484 -0.486 . . . . 0.0 111.307 -177.551 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . 0.506 HD22 HD11 ' B' ' 59' ' ' LEU . 90.2 mt -76.17 -52.35 10.26 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.128 0.489 . . . . 0.0 110.688 -177.473 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . 0.494 ' HA ' ' HB3' ' B' ' 60' ' ' ALA . 4.1 m -73.01 -24.61 21.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.58 -178.424 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -81.09 -18.56 46.14 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.017 177.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.545 ' SD ' ' HD2' ' B' ' 18' ' ' ARG . 30.8 ttm -88.58 -2.75 58.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.157 0.503 . . . . 0.0 110.367 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 79.56 6.65 88.93 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.919 -0.657 . . . . 0.0 113.063 176.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.506 HD11 HD22 ' B' ' 54' ' ' LEU . 4.2 pp -92.36 -20.51 21.0 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.189 0.519 . . . . 0.0 110.09 178.43 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . 0.494 ' HB3' ' HA ' ' B' ' 55' ' ' VAL . . . -114.92 162.2 17.25 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.572 174.285 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -77.9 -64.64 1.11 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.613 -178.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 77.7 p -156.67 175.94 13.39 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-O 121.06 0.457 . . . . 0.0 111.458 -178.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 47.3 t -65.95 -30.39 49.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.623 178.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . 0.462 ' HB2' ' NZ ' ' B' ' 64' ' ' LYS . 7.2 mtmp? -56.34 -39.6 73.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.45 -176.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -63.57 -23.19 67.28 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.641 -176.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' PHE . . . . . 0.525 ' CD1' HG22 ' B' ' 33' ' ' VAL . 3.2 m-85 -99.04 -48.17 4.97 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.747 177.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -144.7 104.75 4.06 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 114.864 -1.062 . . . . 0.0 110.347 -177.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' ARG . . . . . 0.419 ' HD2' ' HB3' ' B' ' 64' ' ' LYS . 17.7 mmm180 -64.51 83.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.686 176.029 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -145.41 -55.9 0.31 Allowed 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 172.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -66.77 100.75 0.58 Allowed Glycine 0 N--CA 1.445 -0.714 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.422 174.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 12.2 p -57.12 150.73 16.73 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.867 0.365 . . . . 0.0 111.641 -179.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . 0.466 ' NE2' ' HA ' ' B' ' 113' ' ' ARG . 4.0 p-80 -71.59 -19.02 62.19 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 174.507 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . 0.427 HG23 ' HD1' ' B' ' 76' ' ' TRP . 0.8 OUTLIER -64.19 118.51 6.54 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.072 0 CA-C-N 114.365 -1.289 . . . . 0.0 111.357 -178.028 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -54.13 139.17 13.03 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-N 113.686 -1.597 . . . . 0.0 109.134 166.334 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -49.99 98.68 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.2 0.524 . . . . 0.0 111.295 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 76' ' ' TRP . . . . . 0.427 ' HD1' HG23 ' B' ' 73' ' ' ILE . 43.9 m95 -92.5 110.43 21.84 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.808 -178.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 76.6 p -93.22 167.0 12.04 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.523 174.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.54 -33.28 66.29 Favored Glycine 0 N--CA 1.454 -0.158 0 C-N-CA 120.78 -0.724 . . . . 0.0 111.829 179.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . 0.538 ' O ' ' HG3' ' B' ' 83' ' ' GLU . 14.5 m-20 -62.07 -52.99 61.67 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.797 0.332 . . . . 0.0 110.132 176.024 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -60.25 -41.44 93.21 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.376 -179.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 81' ' ' GLU . . . . . 0.48 ' O ' ' HB2' ' B' ' 85' ' ' GLN . 62.0 mt-10 -59.35 -46.48 88.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.305 -0.407 . . . . 0.0 109.943 178.681 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 6.8 tt -63.64 -35.25 79.9 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.093 178.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . 0.538 ' HG3' ' O ' ' B' ' 79' ' ' ASP . 59.4 mt-10 -56.12 -59.47 4.88 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-O 121.055 0.455 . . . . 0.0 111.274 178.684 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . 0.404 HD23 ' O ' ' B' ' 84' ' ' LEU . 6.3 tt -81.47 -26.52 35.17 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.709 -171.317 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . 0.48 ' HB2' ' O ' ' B' ' 81' ' ' GLU . 0.7 OUTLIER -53.45 -61.87 2.02 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.255 0.55 . . . . 0.0 109.763 176.848 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 31.7 mtp180 -65.71 -40.05 91.83 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.41 -0.813 . . . . 0.0 111.216 -178.57 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 11.0 tp -63.83 -40.34 96.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.737 -176.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.596 ' O ' ' HB2' ' B' ' 92' ' ' ARG . 0.8 OUTLIER -57.41 -42.54 82.5 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.048 177.62 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -70.07 -38.79 75.84 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.901 0.381 . . . . 0.0 110.796 178.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -59.05 -50.07 75.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.599 -176.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 91' ' ' PHE . . . . . 0.47 ' HB2' HG23 ' B' ' 97' ' ' VAL . 79.6 m-85 -100.4 13.54 34.15 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.79 0.328 . . . . 0.0 111.394 -177.035 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 92' ' ' ARG . . . . . 0.596 ' HB2' ' O ' ' B' ' 88' ' ' PHE . 54.0 ttt180 -68.1 -15.65 63.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.626 0.727 . . . . 0.0 110.648 178.344 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -85.43 6.25 27.5 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.214 -177.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 77.2 p -110.57 174.57 5.8 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.273 176.454 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -62.44 -48.01 81.53 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.996 0.427 . . . . 0.0 111.355 -178.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -126.33 100.87 6.47 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.911 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 97' ' ' VAL . . . . . 0.507 ' O ' HG13 ' B' ' 101' ' ' ILE . 3.9 p -71.4 -36.97 63.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.153 -178.364 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . 0.54 ' HB2' ' NH1' ' B' ' 111' ' ' ARG . 5.7 mp -67.67 -32.5 73.21 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 121.124 -0.231 . . . . 0.0 111.225 -175.149 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 99' ' ' GLY . . . . . 0.475 ' O ' ' HD3' ' B' ' 103' ' ' LYS . . . -62.37 -38.86 96.97 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.639 -0.791 . . . . 0.0 111.512 175.588 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 32.4 m170 -79.3 -28.72 42.24 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 101' ' ' ILE . . . . . 0.507 HG13 ' O ' ' B' ' 97' ' ' VAL . 44.0 mt -58.5 -56.68 14.89 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.403 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.283 172.774 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 102' ' ' MET . . . . . 0.458 ' HA ' HG22 ' B' ' 105' ' ' ILE . 45.7 mtt -55.05 -39.25 68.98 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.227 0.454 . . . . 0.0 112.227 -176.267 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 103' ' ' LYS . . . . . 0.475 ' HD3' ' O ' ' B' ' 99' ' ' GLY . 1.7 mptm? -74.11 -24.45 59.46 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 111.957 0.354 . . . . 0.0 111.957 -179.629 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 -106.67 -4.71 19.22 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -177.4 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 105' ' ' ILE . . . . . 0.458 HG22 ' HA ' ' B' ' 102' ' ' MET . 10.5 tp -97.81 148.78 5.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.432 0.634 . . . . 0.0 111.233 -177.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 3.7 t -66.78 -35.54 80.32 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 114.868 -1.06 . . . . 0.0 111.664 -176.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . 0.43 ' H ' HG13 ' B' ' 105' ' ' ILE . . . -112.87 129.4 56.47 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 116.668 -0.242 . . . . 0.0 110.69 -178.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.32 101.09 6.14 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 176.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 56.9 mtt180 -109.08 124.4 50.72 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.473 -175.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 110' ' ' SER . . . . . 0.597 ' O ' ' HG2' ' B' ' 113' ' ' ARG . 1.4 m -56.05 155.7 6.17 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 123.687 0.617 . . . . 0.0 111.536 -177.305 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 111' ' ' ARG . . . . . 0.54 ' NH1' ' HB2' ' B' ' 98' ' ' LEU . 11.9 mmt180 -56.13 -47.43 78.16 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.991 -175.687 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -61.15 -29.17 69.62 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 -175.107 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . 0.597 ' HG2' ' O ' ' B' ' 110' ' ' SER . 19.3 ptp180 -87.02 -29.0 22.29 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.198 -0.601 . . . . 0.0 111.03 -178.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 59.2 mt -69.17 -55.29 15.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.778 0.323 . . . . 0.0 110.75 173.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 115' ' ' VAL . . . . . 0.534 ' O ' HD23 ' B' ' 119' ' ' LEU . 32.6 m -59.96 -36.83 69.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.855 -173.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -73.24 -30.94 63.81 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.41 179.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 44.7 tptt -68.12 -37.2 80.86 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.235 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 7.3 mp -60.33 -43.12 96.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.364 176.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 119' ' ' LEU . . . . . 0.534 HD23 ' O ' ' B' ' 115' ' ' VAL . 4.4 mm? -67.26 -27.9 67.59 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.384 0.612 . . . . 0.0 110.403 179.197 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -74.69 -42.2 58.86 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.651 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 10.6 mp -68.86 -24.77 64.39 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.857 173.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 78.03 35.16 35.52 Favored Glycine 0 N--CA 1.443 -0.862 0 C-N-CA 120.457 -0.878 . . . . 0.0 110.965 -173.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 62.0 mt -79.24 -30.89 43.41 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-O 121.241 0.544 . . . . 0.0 109.99 179.374 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 124' ' ' VAL . . . . . 0.499 HG21 ' CD2' ' B' ' 130' ' ' LEU . 23.9 m -134.24 168.17 24.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.7 -178.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . 0.471 ' HB2' ' H ' ' B' ' 141' ' ' SER . . . -81.95 -32.37 30.81 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.834 -1.075 . . . . 0.0 110.312 177.592 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 126' ' ' GLU . . . . . 0.432 ' HG3' ' HB3' ' B' ' 128' ' ' ARG . 7.8 pt-20 -169.47 177.98 4.41 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 114.457 -1.247 . . . . 0.0 108.768 -172.118 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 127' ' ' ARG . . . . . 0.599 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 12.2 mpt_? -65.63 -22.24 66.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.895 0.379 . . . . 0.0 111.043 -179.506 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 128' ' ' ARG . . . . . 0.432 ' HB3' ' HG3' ' B' ' 126' ' ' GLU . 8.7 ttm180 -59.0 -39.0 80.48 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.761 -179.131 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 129' ' ' GLU . . . . . 0.403 ' HB2' ' HB ' ' B' ' 124' ' ' VAL . 7.1 mm-40 -72.0 -8.93 57.37 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.982 -0.554 . . . . 0.0 112.401 -170.355 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 130' ' ' LEU . . . . . 0.599 ' HG ' ' O ' ' B' ' 127' ' ' ARG . 0.1 OUTLIER -107.67 12.23 27.72 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.715 0.293 . . . . 0.0 111.347 179.528 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 131' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -132.78 107.53 8.41 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 175.57 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 52.3 mttt -67.92 112.29 4.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.701 0.763 . . . . 0.0 111.953 -176.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -130.41 172.65 11.64 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 114.524 -1.216 . . . . 0.0 108.687 175.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 134' ' ' ARG . . . . . 0.596 ' O ' ' HG2' ' B' ' 134' ' ' ARG . 0.3 OUTLIER -65.91 80.73 0.08 Allowed 'General case' 0 CA--C 1.544 0.712 0 CA-C-O 122.748 1.261 . . . . 0.0 110.37 172.871 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -80.83 169.81 17.09 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 114.95 -1.023 . . . . 0.0 111.139 -177.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 52.1 pttt -89.81 -162.38 0.88 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.123 174.195 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 52.0 tptt -57.39 133.43 55.15 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 174.196 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 34.3 tp -72.79 80.95 1.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.17 0.509 . . . . 0.0 110.833 -177.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . -111.3 39.04 2.39 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.778 0.799 . . . . 0.0 108.845 173.066 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 5.4 p -130.51 167.49 18.57 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.467 -1.242 . . . . 0.0 108.931 178.327 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 141' ' ' SER . . . . . 0.471 ' H ' ' HB2' ' B' ' 125' ' ' ALA . 39.5 t . . . . . 0 C--O 1.247 0.96 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 -175.253 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 . . . . . 0 N--CA 1.482 1.165 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -63.86 -69.06 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 123.01 2.473 . . . . 0.0 113.05 -176.207 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 48.2 t -98.97 -55.01 2.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.182 0.515 . . . . 0.0 109.813 -179.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -131.37 -169.81 2.25 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 173.123 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 38.8 ttm180 -61.28 140.75 57.91 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.224 -0.59 . . . . 0.0 110.407 177.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.13 118.86 11.21 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 115.079 -0.964 . . . . 0.0 111.257 175.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -60.09 130.27 33.72 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 122.427 2.085 . . . . 0.0 111.469 174.19 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 11.2 m -71.58 123.89 23.47 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 176.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' TRP . . . . . 0.519 ' CH2' HG21 ' B' ' 43' ' ' VAL . 70.5 m95 -66.32 120.72 13.78 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.763 -178.018 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 36.6 p -79.42 158.54 73.79 Favored Pre-proline 0 C--N 1.322 -0.601 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 176.062 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_endo -51.18 -34.44 48.39 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.723 2.282 . . . . 0.0 112.133 177.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -74.91 -31.35 61.53 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.61 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.437 ' CD ' HG21 ' B' ' 42' ' ' THR . 6.5 tp10 -78.74 -35.99 43.89 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.366 -179.368 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -64.74 -37.65 88.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.938 0.399 . . . . 0.0 110.448 177.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.7 -32.02 72.38 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.085 0.469 . . . . 0.0 110.494 175.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.51 ' HA ' ' HB3' ' B' ' 19' ' ' GLU . 11.5 t-160 -74.7 -26.76 60.04 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.35 176.173 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.485 HD11 HG23 ' B' ' 50' ' ' ILE . 32.4 tp -67.59 -47.25 70.28 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 177.631 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . 0.763 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 30.7 ptt180 -73.26 -30.49 63.48 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 174.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . 0.51 ' HB3' ' HA ' ' B' ' 16' ' ' HIS . 10.3 tp10 -48.53 -51.87 25.39 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 121.665 0.745 . . . . 0.0 110.503 177.232 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.515 HD11 ' HB2' ' B' ' 39' ' ' HIS . 0.4 OUTLIER -73.69 -28.43 61.74 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.076 -0.966 . . . . 0.0 111.223 -177.047 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -70.55 -49.6 46.36 Favored 'General case' 0 CA--C 1.514 -0.43 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 178.048 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.763 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 39.3 mt -63.2 -20.34 65.33 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.623 -177.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.91 -43.29 22.46 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.837 179.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -109.25 3.18 21.43 Favored 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 -173.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 12.5 ptmm? -62.38 -35.92 80.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.691 0.281 . . . . 0.0 111.67 -177.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -94.6 10.69 33.8 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.179 -176.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 49.4 t -89.35 106.89 17.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 173.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -82.84 138.41 33.95 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.986 -173.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.64 -18.78 55.8 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.951 -0.642 . . . . 0.0 113.041 177.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -97.05 147.28 24.18 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.919 0.359 . . . . 0.0 110.822 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -63.28 100.15 0.23 Allowed 'General case' 0 CA--C 1.516 -0.327 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.443 168.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.511 ' O ' HG13 ' B' ' 36' ' ' ILE . 10.3 p -59.89 -36.74 68.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 120.901 0.381 . . . . 0.0 110.212 178.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . 0.795 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 8.0 p -73.35 -38.55 53.87 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.868 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.201 -174.21 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.448 ' HA ' HD11 ' B' ' 37' ' ' LEU . 24.4 mt-10 -69.38 -24.74 63.91 Favored 'General case' 0 CA--C 1.514 -0.404 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.469 179.295 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.89 -44.8 91.94 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.621 0.724 . . . . 0.0 109.054 170.445 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.59 ' O ' ' HG ' ' B' ' 40' ' ' LEU . 44.8 mt -72.45 -64.45 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.587 -177.247 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.795 ' HG ' ' O ' ' B' ' 33' ' ' VAL . 2.4 pp -65.74 -20.07 66.13 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 -170.124 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . 0.465 ' N ' HD12 ' B' ' 37' ' ' LEU . . . -90.0 -31.1 17.36 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.58 -0.448 . . . . 0.0 112.007 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' HIS . . . . . 0.515 ' HB2' HD11 ' B' ' 20' ' ' LEU . 18.6 m-70 -80.79 -29.92 36.01 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.6 -0.44 . . . . 0.0 111.958 -175.031 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.59 ' HG ' ' O ' ' B' ' 36' ' ' ILE . 0.5 OUTLIER -89.6 86.49 6.74 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.743 0.782 . . . . 0.0 111.417 178.402 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -84.0 38.62 0.66 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.641 0.734 . . . . 0.0 110.188 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . 0.437 HG21 ' CD ' ' B' ' 13' ' ' GLU . 2.3 t -104.82 -13.0 16.01 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 114.934 -1.03 . . . . 0.0 109.383 179.354 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . 0.519 HG21 ' CH2' ' B' ' 9' ' ' TRP . 2.4 m -133.14 100.45 14.2 Favored Pre-proline 0 N--CA 1.453 -0.315 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.738 -179.334 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -73.24 88.73 0.96 Allowed 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 121.987 1.792 . . . . 0.0 110.214 169.382 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' B' ' 45' ' ' ARG . 24.0 mtp180 -138.04 170.89 15.25 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.193 -176.011 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . 0.532 HG22 ' HG2' ' B' ' 49' ' ' GLN . 5.8 t -74.59 155.78 37.48 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 176.694 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . 0.529 ' HD2' HD22 ' B' ' 37' ' ' LEU . 28.4 mmt180 -63.08 -31.99 73.25 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.015 0.436 . . . . 0.0 111.244 -172.329 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -56.41 -31.87 64.3 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.348 -0.842 . . . . 0.0 112.186 -179.576 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.532 ' HG2' HG22 ' B' ' 46' ' ' THR . 17.8 mm-40 -68.38 -40.0 81.55 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 111.898 0.332 . . . . 0.0 111.898 -172.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.485 HG23 HD11 ' B' ' 17' ' ' LEU . 2.0 mp -66.18 -47.73 83.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 177.711 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.511 HG12 HG21 ' B' ' 33' ' ' VAL . 87.4 mt -52.57 -50.58 39.67 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 CA-C-O 121.707 0.765 . . . . 0.0 110.51 177.116 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' HIS . . . . . 0.449 ' HB3' ' NE2' ' B' ' 56' ' ' GLN . 0.9 OUTLIER -60.21 -53.51 56.83 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.568 -1.196 . . . . 0.0 112.838 -172.896 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' HIS . . . . . 0.482 ' HB2' HD21 ' B' ' 17' ' ' LEU . 37.8 m-70 -59.97 -32.2 70.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.839 0.352 . . . . 0.0 111.78 -175.139 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . 0.527 HD22 HD11 ' B' ' 59' ' ' LEU . 80.1 mt -68.67 -45.82 70.72 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.208 -178.008 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . 0.417 HG11 ' C ' ' B' ' 62' ' ' SER . 5.4 m -75.93 -20.48 15.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.254 0.55 . . . . 0.0 109.813 178.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' GLN . . . . . 0.449 ' NE2' ' HB3' ' B' ' 52' ' ' HIS . 45.5 mt-30 -72.49 -35.35 68.15 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.915 175.723 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 66.6 mtm -82.51 6.28 17.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.451 179.633 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 69.63 4.18 44.84 Favored Glycine 0 C--N 1.33 0.2 0 C-N-CA 121.234 -0.507 . . . . 0.0 113.045 175.328 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.527 HD11 HD22 ' B' ' 54' ' ' LEU . 4.5 pp -82.6 -17.69 43.89 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.35 0.595 . . . . 0.0 109.61 -179.603 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . 0.408 ' HB3' HG12 ' B' ' 55' ' ' VAL . . . -115.61 170.2 8.62 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.379 174.781 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -75.7 -68.08 0.61 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.235 0.54 . . . . 0.0 110.449 179.093 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . 0.417 ' C ' HG11 ' B' ' 55' ' ' VAL . 72.3 p -165.34 176.27 8.46 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 115.216 -0.902 . . . . 0.0 109.918 -178.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 73.8 t -62.98 -27.41 43.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.254 0.55 . . . . 0.0 110.151 178.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 30.7 mtmm -68.6 -24.49 64.59 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.476 -176.071 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -74.68 -31.92 62.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.299 0.571 . . . . 0.0 109.963 179.098 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -80.02 -47.51 14.8 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.442 176.09 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -148.72 96.76 2.63 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.284 -1.325 . . . . 0.0 109.555 -173.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 33.8 ttp180 -75.16 79.28 2.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.824 0.821 . . . . 0.0 110.419 -179.257 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . 0.47 ' O ' ' HG2' ' B' ' 69' ' ' LYS . 56.1 tttm -155.1 16.26 0.41 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.032 -1.44 . . . . 0.0 108.053 171.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -115.33 41.99 2.02 Favored Glycine 0 N--CA 1.44 -1.088 0 CA-C-N 115.165 -0.925 . . . . 0.0 112.436 -170.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 3.5 p -82.01 92.18 6.74 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-O 121.175 0.512 . . . . 0.0 110.116 174.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 28.6 p-80 -54.45 138.4 40.2 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 106.921 -1.511 . . . . 0.0 106.921 170.109 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . 0.462 HG23 ' HD1' ' B' ' 76' ' ' TRP . 0.4 OUTLIER -137.36 145.77 28.95 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.451 0 C-N-CA 118.879 -1.128 . . . . 0.0 113.557 -165.409 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . 0.425 HG12 ' HD2' ' B' ' 113' ' ' ARG . 0.7 OUTLIER -72.64 150.04 8.49 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.606 0 CA-C-N 113.838 -1.528 . . . . 0.0 108.407 177.268 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 20.8 tp -57.84 100.98 0.06 Allowed 'General case' 0 C--N 1.312 -1.048 0 CA-C-O 121.277 0.56 . . . . 0.0 111.071 -177.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 76' ' ' TRP . . . . . 0.599 ' CE2' ' HG3' ' B' ' 117' ' ' LYS . 92.5 m95 -100.75 110.09 22.16 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.416 178.483 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 76.0 p -103.91 178.87 4.43 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 173.181 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.3 -45.98 87.46 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.53 -0.843 . . . . 0.0 112.154 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -71.93 -40.62 68.62 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.862 0.363 . . . . 0.0 110.5 -179.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 80' ' ' GLN . . . . . 0.505 ' O ' ' HB3' ' B' ' 83' ' ' GLU . 0.0 OUTLIER -65.83 -37.3 85.85 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.254 -177.624 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 81' ' ' GLU . . . . . 0.461 ' HA ' ' CE3' ' B' ' 76' ' ' TRP . 36.1 tt0 -72.01 -35.62 69.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.99 0.424 . . . . 0.0 110.399 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 25.6 tp -61.59 -37.02 82.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.087 175.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . 0.505 ' HB3' ' O ' ' B' ' 80' ' ' GLN . 40.5 tt0 -53.29 -49.57 66.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.668 177.266 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . 0.417 ' HB2' ' CH2' ' B' ' 76' ' ' TRP . 53.5 tp -60.37 -48.53 81.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.484 178.011 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . 0.437 HE21 ' N ' ' B' ' 86' ' ' ARG . 0.0 OUTLIER -54.71 -48.3 72.66 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.976 -178.267 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 86' ' ' ARG . . . . . 0.437 ' N ' HE21 ' B' ' 85' ' ' GLN . 44.0 mtp180 -66.93 -49.49 65.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.154 -178.711 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 12.5 tp -63.75 -40.5 96.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.096 -175.275 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.61 ' CE2' HD21 ' B' ' 118' ' ' LEU . 53.5 t80 -51.14 -48.47 61.79 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 122.683 0.393 . . . . 0.0 111.79 174.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -68.74 -24.25 64.43 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.371 0.605 . . . . 0.0 111.241 -178.105 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -77.21 -37.81 52.66 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.036 -0.984 . . . . 0.0 111.928 -176.2 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -107.36 4.41 26.37 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -175.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 92' ' ' ARG . . . . . 0.547 ' O ' ' HD3' ' B' ' 134' ' ' ARG . 16.5 ptm180 -73.79 -11.07 60.27 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.956 -0.297 . . . . 0.0 111.662 -176.452 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -74.39 -0.33 16.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.913 0.387 . . . . 0.0 110.99 176.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 9.4 t -105.32 175.05 5.62 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 177.094 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -76.93 -33.51 57.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.912 0.386 . . . . 0.0 111.179 -176.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -124.86 97.47 5.28 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 178.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 97' ' ' VAL . . . . . 0.602 ' O ' HG12 ' B' ' 101' ' ' ILE . 8.9 p -76.81 -36.88 27.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.071 -176.47 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . 0.57 ' O ' ' HG3' ' B' ' 102' ' ' MET . 1.0 OUTLIER -66.05 -42.0 90.07 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.107 -0.497 . . . . 0.0 112.113 -171.891 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -63.6 -31.73 81.78 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.556 -0.83 . . . . 0.0 112.137 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 13.1 m170 -75.23 -31.44 60.85 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 101' ' ' ILE . . . . . 0.665 ' O ' ' HB ' ' B' ' 105' ' ' ILE . 51.3 mm -59.61 -53.29 50.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.766 173.02 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 102' ' ' MET . . . . . 0.57 ' HG3' ' O ' ' B' ' 98' ' ' LEU . 27.5 mtp -67.09 -36.96 83.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.152 -173.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 5.3 tptm -80.08 -18.29 50.37 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.58 -172.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -117.85 10.88 13.35 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.838 0.351 . . . . 0.0 111.702 -177.275 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 105' ' ' ILE . . . . . 0.665 ' HB ' ' O ' ' B' ' 101' ' ' ILE . 10.7 tp -98.25 159.59 3.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.563 0.697 . . . . 0.0 111.964 -172.325 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 106' ' ' THR . . . . . 0.459 ' N ' HG13 ' B' ' 105' ' ' ILE . 3.7 t -79.58 -24.14 42.25 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.84 -1.073 . . . . 0.0 111.493 -179.307 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . 0.426 ' H ' HG13 ' B' ' 105' ' ' ILE . . . -102.2 169.96 8.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.257 -174.021 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 108' ' ' LYS . . . . . 0.466 ' HA ' ' HE2' ' B' ' 108' ' ' LYS . 6.2 mmpt? -92.48 102.86 15.32 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 171.67 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.84 122.6 46.83 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.615 -175.058 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 62.1 p -97.23 151.09 20.19 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 167.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -59.92 -33.97 72.59 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -171.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -54.38 -38.14 65.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.977 0.418 . . . . 0.0 111.239 177.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . 0.425 ' HD2' HG12 ' B' ' 74' ' ' VAL . 21.4 mtt180 -84.33 -29.36 26.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.142 0.496 . . . . 0.0 110.227 -176.248 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 114' ' ' ILE . . . . . 0.421 HD11 ' HG2' ' B' ' 102' ' ' MET . 85.6 mt -71.31 -47.74 58.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.63 -178.3 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 115' ' ' VAL . . . . . 0.476 ' O ' HD13 ' B' ' 119' ' ' LEU . 17.8 m -65.47 -36.84 78.63 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.542 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.331 -177.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -55.7 -45.63 77.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.897 0.38 . . . . 0.0 110.345 175.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . 0.599 ' HG3' ' CE2' ' B' ' 76' ' ' TRP . 37.7 mmtt -73.55 -37.16 65.67 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.66 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . 0.61 HD21 ' CE2' ' B' ' 88' ' ' PHE . 2.3 tp -62.18 -46.15 90.21 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.066 0.46 . . . . 0.0 110.854 -179.127 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 119' ' ' LEU . . . . . 0.476 HD13 ' O ' ' B' ' 115' ' ' VAL . 10.0 mp -71.8 -18.82 62.07 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.64 179.728 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -83.49 -35.34 24.95 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.298 -179.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 121' ' ' LEU . . . . . 0.535 HD13 ' O ' ' B' ' 117' ' ' LYS . 10.5 mp -69.77 -24.63 63.54 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.238 167.359 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 75.88 33.02 52.05 Favored Glycine 0 N--CA 1.444 -0.825 0 CA-C-N 114.76 -1.109 . . . . 0.0 111.899 -178.384 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . 0.532 HD13 ' CD1' ' B' ' 88' ' ' PHE . 90.0 mt -74.41 -25.16 59.29 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.934 0.873 . . . . 0.0 108.705 177.419 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 124' ' ' VAL . . . . . 0.512 HG21 ' CD2' ' B' ' 130' ' ' LEU . 24.0 m -141.88 163.23 19.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 113.964 -1.471 . . . . 0.0 109.367 175.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . 0.52 ' HB3' ' O ' ' B' ' 141' ' ' SER . . . -102.65 -13.17 17.22 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.114 0.483 . . . . 0.0 110.51 177.08 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 126' ' ' GLU . . . . . 0.478 ' OE2' ' HB3' ' B' ' 141' ' ' SER . 15.3 pt-20 -153.44 172.21 17.46 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.263 -179.093 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 127' ' ' ARG . . . . . 0.751 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 0.6 OUTLIER -79.59 -21.76 44.59 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.074 0.464 . . . . 0.0 111.029 -177.802 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 128' ' ' ARG . . . . . 0.409 ' HB3' ' OE1' ' B' ' 126' ' ' GLU . 28.6 ttm180 -56.1 -38.0 70.15 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -176.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -74.05 -17.41 60.97 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 -173.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 130' ' ' LEU . . . . . 0.751 ' HG ' ' O ' ' B' ' 127' ' ' ARG . 0.1 OUTLIER -92.54 -8.85 43.27 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.141 0.496 . . . . 0.0 110.595 -178.549 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 131' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -122.27 46.98 2.0 Allowed 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 107.667 -1.235 . . . . 0.0 107.667 173.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 18.7 tptm -123.5 147.94 46.73 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.625 -168.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 46.2 mtpt -74.32 151.02 39.88 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 171.314 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 134' ' ' ARG . . . . . 0.547 ' HD3' ' O ' ' B' ' 92' ' ' ARG . 0.0 OUTLIER -76.78 85.38 3.38 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.648 0.737 . . . . 0.0 111.287 -177.773 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 30.0 pt20 -75.94 139.84 41.79 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 114.99 -1.005 . . . . 0.0 110.044 175.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 136' ' ' LYS . . . . . 0.43 ' HD2' ' N ' ' B' ' 136' ' ' LYS . 0.4 OUTLIER -99.61 72.71 1.78 Allowed 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 174.299 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -149.08 146.21 27.61 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.902 -1.045 . . . . 0.0 109.339 -174.795 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 58.6 tp -73.38 93.78 1.98 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.91 0.386 . . . . 0.0 110.756 178.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . -124.95 141.43 52.13 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.697 178.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 47.6 m -127.74 84.88 2.29 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 174.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 141' ' ' SER . . . . . 0.52 ' O ' ' HB3' ' B' ' 125' ' ' ALA . 4.0 m . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.509 -0.758 . . . . 0.0 110.081 -176.154 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 . . . . . 0 N--CA 1.483 1.198 0 CA-C-O 120.436 0.16 . . . . 0.0 110.718 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -77.91 -4.05 14.09 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.704 2.27 . . . . 0.0 111.94 175.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 15.8 p -77.27 46.43 0.51 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.626 -0.715 . . . . 0.0 112.061 -176.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 26.0 mtm180 -85.84 -162.66 0.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 176.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 11.3 tpp180 -39.67 110.9 0.16 Allowed 'General case' 0 N--CA 1.466 0.36 0 O-C-N 123.385 0.428 . . . . 0.0 110.905 176.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.13 121.86 38.94 Favored Pre-proline 0 N--CA 1.452 -0.372 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.029 -178.223 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_exo -53.67 122.32 11.1 Favored 'Trans proline' 0 N--CA 1.463 -0.301 0 C-N-CA 122.778 2.319 . . . . 0.0 112.29 -179.127 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 35.6 m -61.83 114.77 3.52 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 173.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' TRP . . . . . 0.469 ' CH2' HG21 ' B' ' 43' ' ' VAL . 56.0 m95 -54.04 125.87 20.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.588 -173.49 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . 0.524 ' OG ' ' HB2' ' B' ' 13' ' ' GLU . 15.8 p -75.15 159.93 81.42 Favored Pre-proline 0 C--N 1.318 -0.774 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.196 173.443 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -50.67 -43.97 43.05 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.532 2.155 . . . . 0.0 112.275 179.026 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -68.78 -27.59 66.02 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.707 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.524 ' HB2' ' OG ' ' B' ' 10' ' ' SER . 3.1 tt0 -74.09 -44.19 54.89 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.614 -175.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -68.73 -28.63 66.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.058 0.456 . . . . 0.0 109.924 175.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . 0.46 ' O ' ' HB2' ' B' ' 19' ' ' GLU . . . -64.78 -36.74 85.29 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.172 174.346 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.452 ' HA ' ' CB ' ' B' ' 19' ' ' GLU . 8.9 t-160 -76.3 -30.82 57.9 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.833 176.67 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.476 HD11 HG23 ' B' ' 50' ' ' ILE . 25.6 tp -63.58 -47.88 79.68 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 178.125 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . 0.778 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 10.5 ptm180 -70.97 -35.71 72.26 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 174.695 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . 0.46 ' HB2' ' O ' ' B' ' 15' ' ' ALA . 11.5 tp10 -49.1 -55.16 13.07 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.96 0.886 . . . . 0.0 110.589 -178.636 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.487 HD11 ' HB2' ' B' ' 39' ' ' HIS . 1.0 OUTLIER -66.54 -35.99 81.6 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.598 -1.183 . . . . 0.0 111.827 -178.885 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' TYR . . . . . 0.457 ' HA ' HD11 ' B' ' 36' ' ' ILE . 68.8 t80 -70.64 -39.41 73.69 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.617 -175.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.778 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 49.1 mt -64.63 -25.17 67.84 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.328 179.348 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.43 -56.68 3.61 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.975 178.521 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' ASN . . . . . 0.472 HD22 ' N ' ' B' ' 24' ' ' ASN . 0.9 OUTLIER -79.83 -1.57 39.56 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -170.946 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.08 -21.21 64.98 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 120.656 -0.417 . . . . 0.0 110.935 177.009 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -98.87 3.56 47.3 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.015 -179.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 50.0 t -97.86 107.23 19.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 176.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -101.48 148.54 25.07 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.173 -179.351 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.35 1.26 66.73 Favored Glycine 0 N--CA 1.445 -0.709 0 N-CA-C 110.256 -1.138 . . . . 0.0 110.256 -171.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . 0.406 ' HG2' ' N ' ' B' ' 31' ' ' ASP . 19.1 tt0 -129.6 149.33 51.41 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.948 -0.626 . . . . 0.0 109.614 177.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . 0.406 ' N ' ' HG2' ' B' ' 30' ' ' GLN . 9.6 t70 -70.34 129.27 38.87 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 172.564 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.67 ' O ' HG12 ' B' ' 36' ' ' ILE . 2.2 p -79.49 -45.33 23.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 C-N-CA 119.832 -0.747 . . . . 0.0 111.032 -178.291 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . 0.69 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 14.4 p -70.34 -42.89 78.72 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.401 0 C-N-CA 120.985 -0.286 . . . . 0.0 110.397 -174.147 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.591 ' HA ' HD11 ' B' ' 37' ' ' LEU . 1.3 tm-20 -62.79 -40.17 96.49 Favored 'General case' 0 N--CA 1.444 -0.753 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 178.441 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . 0.52 ' O ' ' HD2' ' B' ' 39' ' ' HIS . . . -54.24 -51.17 65.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.017 175.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.67 HG12 ' O ' ' B' ' 32' ' ' VAL . 11.7 mm -57.25 -63.61 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.177 -178.083 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.69 ' HG ' ' O ' ' B' ' 33' ' ' VAL . 2.1 pp -65.43 -20.75 66.5 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.506 -175.426 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.63 -48.12 64.86 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.914 0.388 . . . . 0.0 111.211 176.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' HIS . . . . . 0.52 ' HD2' ' O ' ' B' ' 35' ' ' ALA . 50.2 m-70 -80.7 -21.47 41.22 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.678 -175.342 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.478 HD22 ' CD1' ' B' ' 20' ' ' LEU . 0.4 OUTLIER -76.8 81.16 3.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.878 0.371 . . . . 0.0 110.164 172.266 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 -87.28 35.0 0.69 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.708 0.766 . . . . 0.0 109.334 177.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 8.0 t -108.34 -20.5 13.11 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.817 -179.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . 0.469 HG21 ' CH2' ' B' ' 9' ' ' TRP . 6.8 m -134.77 117.25 12.87 Favored Pre-proline 0 C--O 1.234 0.246 0 CA-C-O 121.016 0.436 . . . . 0.0 112.073 -175.207 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo -76.02 89.94 1.2 Allowed 'Trans proline' 0 N--CA 1.463 -0.318 0 C-N-CA 122.813 2.342 . . . . 0.0 110.567 169.047 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.42 ' CZ ' ' HE1' ' B' ' 9' ' ' TRP . 23.5 mtp180 -139.34 173.71 11.26 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.793 -174.021 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 15.2 t -96.99 168.21 10.61 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.835 -179.092 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . 0.545 ' HA ' ' CD2' ' B' ' 37' ' ' LEU . 0.3 OUTLIER -56.97 -44.13 82.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.45 -0.796 . . . . 0.0 111.538 -177.233 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 31.6 ttpt -53.85 -33.76 57.28 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.538 -0.755 . . . . 0.0 112.215 -176.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -74.82 -40.03 61.31 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.949 -171.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.505 HD13 ' HB3' ' B' ' 37' ' ' LEU . 2.5 mp -69.43 -45.27 79.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 177.112 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.649 HG22 HG12 ' B' ' 63' ' ' VAL . 81.1 mt -48.66 -47.23 15.52 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-O 121.563 0.697 . . . . 0.0 110.921 178.792 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' HIS . . . . . 0.469 ' HB3' ' NE2' ' B' ' 56' ' ' GLN . 3.0 m-70 -65.49 -53.39 43.23 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 114.919 -1.037 . . . . 0.0 112.894 -172.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 73.4 m-70 -58.38 -36.89 74.21 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 112.038 0.385 . . . . 0.0 112.038 -173.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . 0.601 HD22 HD11 ' B' ' 59' ' ' LEU . 79.5 mt -67.8 -43.33 79.93 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.219 -176.301 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . 0.454 HG11 ' C ' ' B' ' 62' ' ' SER . 13.3 m -78.84 -25.19 13.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.251 0.548 . . . . 0.0 109.984 178.014 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' GLN . . . . . 0.469 ' NE2' ' HB3' ' B' ' 52' ' ' HIS . 59.2 mt-30 -70.14 -32.73 70.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.752 175.518 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 73.6 mtm -82.23 3.23 28.24 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.982 177.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 67.95 10.17 58.26 Favored Glycine 0 N--CA 1.451 -0.345 0 CA-C-N 116.01 -0.541 . . . . 0.0 113.058 174.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.601 HD11 HD22 ' B' ' 54' ' ' LEU . 4.5 pp -91.69 -16.89 26.3 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.32 0.581 . . . . 0.0 109.701 179.476 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -118.97 153.95 33.82 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.279 175.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -64.64 -69.62 0.28 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.633 -176.187 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . 0.486 ' HB2' ' NZ ' ' B' ' 64' ' ' LYS . 25.2 m -158.69 175.21 13.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.685 -0.688 . . . . 0.0 109.746 -176.572 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' VAL . . . . . 0.649 HG12 HG22 ' B' ' 51' ' ' ILE . 16.3 m -69.23 -24.31 27.75 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.617 0 CA-C-O 121.357 0.599 . . . . 0.0 111.554 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . 0.608 ' HA ' ' HB3' ' B' ' 68' ' ' ARG . 15.6 mtmm -44.62 -50.36 9.79 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.51 -1.223 . . . . 0.0 110.853 174.68 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -71.51 -6.84 43.55 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 113.498 -1.683 . . . . 0.0 111.062 -171.372 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -107.51 -51.53 2.9 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.142 177.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' GLN . . . . . 0.5 ' HG3' HG11 ' B' ' 33' ' ' VAL . 31.1 mt-30 -154.04 -20.43 0.13 Allowed 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 115.128 1.529 . . . . 0.0 115.128 -170.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' ARG . . . . . 0.608 ' HB3' ' HA ' ' B' ' 64' ' ' LYS . 0.6 OUTLIER -74.0 92.47 2.13 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 119.927 -0.709 . . . . 0.0 110.549 -174.687 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . 0.57 ' HD3' ' O ' ' B' ' 69' ' ' LYS . 13.3 tmtt? -71.27 -11.85 61.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.308 179.411 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -71.37 52.03 1.09 Allowed Glycine 0 N--CA 1.45 -0.392 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 168.057 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . 0.55 HG23 ' HB3' ' B' ' 64' ' ' LYS . 0.2 OUTLIER -87.2 125.66 34.32 Favored 'General case' 0 N--CA 1.437 -1.107 0 CA-C-O 121.129 0.49 . . . . 0.0 111.105 -174.317 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . 0.414 ' CE1' ' HG2' ' B' ' 113' ' ' ARG . 0.5 OUTLIER -83.88 12.79 5.59 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.754 174.171 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . 0.452 ' HA ' ' HD2' ' B' ' 113' ' ' ARG . 1.7 mm -67.5 117.44 8.96 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.535 0 CA-C-O 121.999 0.904 . . . . 0.0 110.861 -178.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 3.1 m -77.84 141.51 15.43 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.351 0 CA-C-N 113.678 -1.601 . . . . 0.0 106.71 169.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.16 93.01 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 -171.535 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 76' ' ' TRP . . . . . 0.571 ' CZ3' ' HG2' ' B' ' 80' ' ' GLN . 60.2 m95 -92.5 108.97 20.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.271 0.557 . . . . 0.0 111.076 -174.647 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 56.9 p -106.9 166.49 10.56 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.421 176.097 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -55.66 -30.64 56.62 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.276 178.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -77.0 -46.66 23.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 122.923 -0.163 . . . . 0.0 111.013 177.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 80' ' ' GLN . . . . . 0.571 ' HG2' ' CZ3' ' B' ' 76' ' ' TRP . 29.6 tt0 -67.7 -36.66 81.06 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 120.504 -0.478 . . . . 0.0 111.01 -177.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -65.99 -37.28 85.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.928 0.394 . . . . 0.0 110.208 178.461 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 19.1 tp -70.51 -35.57 73.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.209 174.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . 0.484 ' CD ' HH21 ' B' ' 86' ' ' ARG . 6.1 tp10 -62.44 -39.21 92.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.105 179.729 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . 0.497 HD22 ' CH2' ' B' ' 76' ' ' TRP . 52.4 tp -63.79 -36.94 85.53 Favored 'General case' 0 C--O 1.225 -0.212 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.267 177.133 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . 0.492 ' O ' ' HG3' ' B' ' 89' ' ' GLU . 17.0 tt0 -62.3 -56.04 22.37 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.141 178.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 86' ' ' ARG . . . . . 0.484 HH21 ' CD ' ' B' ' 83' ' ' GLU . 20.1 mtm180 -56.63 -41.75 77.66 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.286 0.565 . . . . 0.0 110.831 179.613 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . 0.53 ' CD2' HG23 ' B' ' 101' ' ' ILE . 16.7 tp -64.91 -48.53 73.85 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.02 -179.761 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.554 ' CE1' HD21 ' B' ' 118' ' ' LEU . 2.1 t80 -62.58 -43.25 99.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.231 -177.148 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.508 ' O ' ' HG2' ' B' ' 92' ' ' ARG . 52.5 mt-10 -62.16 -37.85 86.79 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.281 0.563 . . . . 0.0 111.039 -178.715 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -79.21 -33.23 43.97 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.398 -0.819 . . . . 0.0 112.285 -174.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -90.4 -8.41 50.7 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -177.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 92' ' ' ARG . . . . . 0.508 ' HG2' ' O ' ' B' ' 89' ' ' GLU . 12.9 ptm180 -75.98 -11.19 59.91 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.33 0.586 . . . . 0.0 109.993 177.06 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -79.44 -1.34 36.89 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.786 173.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 23.2 m -104.94 -164.23 1.02 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.504 178.087 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 20.2 p-10 -84.01 -49.83 8.57 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -175.332 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 96' ' ' ASP . . . . . 0.544 ' O ' ' HD2' ' B' ' 100' ' ' HIS . 11.0 t0 -124.28 98.95 5.99 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 176.697 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 97' ' ' VAL . . . . . 0.566 HG13 HD12 ' B' ' 98' ' ' LEU . 7.4 p -56.58 -43.69 79.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.786 -175.187 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . 0.642 ' O ' ' HG3' ' B' ' 102' ' ' MET . 5.8 mp -76.72 -41.21 46.01 Favored 'General case' 0 CA--C 1.516 -0.349 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -172.478 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 99' ' ' GLY . . . . . 0.404 ' O ' ' HG2' ' B' ' 103' ' ' LYS . . . -56.57 -39.06 84.32 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.628 -0.796 . . . . 0.0 111.749 177.222 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . 0.544 ' HD2' ' O ' ' B' ' 96' ' ' ASP . 45.6 m-70 -76.46 -33.91 58.71 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 -179.717 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 101' ' ' ILE . . . . . 0.53 ' O ' HG22 ' B' ' 105' ' ' ILE . 18.9 mt -56.05 -59.27 2.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.741 172.691 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 102' ' ' MET . . . . . 0.642 ' HG3' ' O ' ' B' ' 98' ' ' LEU . 59.6 mtp -60.17 -30.19 69.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.783 -170.459 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 103' ' ' LYS . . . . . 0.404 ' HG2' ' O ' ' B' ' 99' ' ' GLY . 74.5 mmtt -92.39 -27.1 17.73 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 121.033 -0.267 . . . . 0.0 111.516 -175.249 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -93.79 -23.18 18.27 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -174.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 105' ' ' ILE . . . . . 0.53 HG22 ' O ' ' B' ' 101' ' ' ILE . 10.8 tp -90.04 154.83 3.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 121.64 0.734 . . . . 0.0 111.153 -174.132 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 106' ' ' THR . . . . . 0.439 ' N ' HG13 ' B' ' 105' ' ' ILE . 12.6 t -55.49 -29.24 58.44 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.257 -1.338 . . . . 0.0 112.682 -177.21 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . 0.428 ' O ' HG23 ' B' ' 105' ' ' ILE . . . -112.73 128.79 56.51 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.331 -177.202 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 108' ' ' LYS . . . . . 0.497 ' N ' ' HE3' ' B' ' 108' ' ' LYS . 0.2 OUTLIER -75.89 101.55 5.2 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 174.043 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 109' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' B' ' 109' ' ' ARG . 44.7 mtt180 -112.07 137.68 49.77 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.845 -176.189 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 15.3 m -75.28 159.63 31.28 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.265 -175.451 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 10.2 mmt180 -57.98 -51.21 70.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.098 -177.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -64.55 -22.11 66.88 Favored 'General case' 0 C--O 1.224 -0.24 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.169 -179.377 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . 0.568 ' NE ' ' HE1' ' B' ' 76' ' ' TRP . 0.0 OUTLIER -80.41 -48.99 12.06 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.49 0.662 . . . . 0.0 109.796 179.59 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 114' ' ' ILE . . . . . 0.451 HG23 HD11 ' B' ' 84' ' ' LEU . 89.4 mt -59.59 -48.94 85.54 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.007 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.439 -177.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 115' ' ' VAL . . . . . 0.695 ' O ' HD23 ' B' ' 119' ' ' LEU . 9.8 m -65.08 -37.48 80.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.574 -178.156 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -59.18 -37.3 77.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.377 0.608 . . . . 0.0 110.526 177.653 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . 0.536 ' HB2' HH21 ' B' ' 113' ' ' ARG . 15.4 tppt? -77.98 -37.46 47.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.592 -179.57 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . 0.554 HD21 ' CE1' ' B' ' 88' ' ' PHE . 0.9 OUTLIER -58.85 -42.61 89.76 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.418 0.628 . . . . 0.0 110.208 175.59 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 119' ' ' LEU . . . . . 0.695 HD23 ' O ' ' B' ' 115' ' ' VAL . 3.7 mm? -67.0 -26.99 67.07 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.648 -1.16 . . . . 0.0 110.919 178.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -80.52 -36.45 33.18 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.671 -177.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 10.9 mp -69.76 -24.18 63.49 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-O 121.34 0.591 . . . . 0.0 109.971 170.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 72.8 34.96 58.87 Favored Glycine 0 N--CA 1.441 -1.019 0 CA-C-N 115.116 -0.947 . . . . 0.0 111.487 -175.018 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 76.7 mt -71.75 -28.42 63.64 Favored 'General case' 0 CA--C 1.512 -0.482 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 175.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 124' ' ' VAL . . . . . 0.542 HG21 ' CD2' ' B' ' 130' ' ' LEU . 25.3 m -140.8 173.77 8.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 114.147 -1.388 . . . . 0.0 109.502 177.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -115.51 -10.92 11.85 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.385 0.612 . . . . 0.0 110.313 178.255 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 126' ' ' GLU . . . . . 0.504 ' OE2' ' HB3' ' B' ' 128' ' ' ARG . 9.3 pt-20 -150.49 167.89 25.82 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.364 -0.835 . . . . 0.0 109.664 -179.406 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 127' ' ' ARG . . . . . 0.723 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 0.9 OUTLIER -78.23 -21.79 49.41 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.983 0.42 . . . . 0.0 110.328 177.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 128' ' ' ARG . . . . . 0.504 ' HB3' ' OE2' ' B' ' 126' ' ' GLU . 66.8 ttt180 -63.8 -23.51 67.39 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.937 -175.779 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 129' ' ' GLU . . . . . 0.457 ' HG3' ' CG ' ' B' ' 126' ' ' GLU . 40.4 mt-10 -78.93 -25.49 43.67 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.211 0.449 . . . . 0.0 112.211 -175.543 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 130' ' ' LEU . . . . . 0.723 ' HG ' ' O ' ' B' ' 127' ' ' ARG . 0.0 OUTLIER -82.76 13.91 3.54 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.73 0.776 . . . . 0.0 110.222 -176.864 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 131' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -123.03 131.89 53.89 Favored 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 176.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 34.3 tptt -35.45 -128.77 0.0 OUTLIER 'General case' 0 CA--C 1.558 1.256 0 C-N-CA 126.682 1.993 . . . . 0.0 114.931 -171.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . 0.563 ' O ' ' HG3' ' B' ' 135' ' ' GLN . 40.3 mtmt -52.11 171.65 0.05 OUTLIER 'General case' 0 N--CA 1.47 0.571 0 O-C-N 121.338 -0.851 . . . . 0.0 111.184 -176.441 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 134' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.22 79.8 0.05 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.724 0.773 . . . . 0.0 111.538 -177.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 135' ' ' GLN . . . . . 0.563 ' HG3' ' O ' ' B' ' 133' ' ' LYS . 0.0 OUTLIER -78.34 168.69 19.43 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 114.365 -1.288 . . . . 0.0 112.48 176.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt -127.04 -149.12 0.4 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.808 -1.087 . . . . 0.0 108.362 174.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 137' ' ' LYS . . . . . 0.516 ' HG2' ' O ' ' B' ' 137' ' ' LYS . 0.0 OUTLIER -77.09 83.74 3.59 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 122.292 1.044 . . . . 0.0 111.122 178.052 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 138' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' B' ' 139' ' ' ALA . 2.6 pt? -141.7 172.72 12.3 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.286 -0.87 . . . . 0.0 108.903 174.601 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 139' ' ' ALA . . . . . 0.458 ' O ' ' HG ' ' B' ' 138' ' ' LEU . . . -62.22 163.3 8.44 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 175.567 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 18.3 t -57.49 105.86 0.28 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.989 0.423 . . . . 0.0 110.613 -177.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 141' ' ' SER . . . . . . . . . . . . . 4.9 t . . . . . 0 C--O 1.248 0.999 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 -176.046 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . 0.444 ' OD2' ' HA ' ' B' ' 45' ' ' ARG . 8.9 p-10 . . . . . 0 N--CA 1.48 1.027 0 CA-C-O 120.748 0.309 . . . . 0.0 110.315 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -96.92 15.74 0.75 Allowed 'Trans proline' 0 N--CA 1.45 -1.058 0 C-N-CA 123.074 2.516 . . . . 0.0 111.488 171.076 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . 0.431 ' HB2' ' OD1' ' B' ' 1' ' ' ASP . 74.6 m -75.55 -55.57 5.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.619 -173.578 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . 0.493 ' HD3' ' HG2' ' B' ' 44' ' ' PRO . 9.4 ptm180 -151.67 -171.65 3.99 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 -179.748 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 4.8 ptp180 -77.76 166.04 23.44 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 172.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.634 ' HB1' ' NH2' ' B' ' 45' ' ' ARG . . . -71.49 123.0 88.7 Favored Pre-proline 0 C--N 1.316 -0.886 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.214 179.799 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . 0.496 ' HG2' ' HD2' ' B' ' 44' ' ' PRO . 37.3 Cg_exo -60.79 142.48 97.82 Favored 'Trans proline' 0 C--O 1.236 0.423 0 C-N-CA 122.902 2.402 . . . . 0.0 111.866 175.254 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 10.7 p -75.13 136.09 41.11 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.816 0.341 . . . . 0.0 110.686 178.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 83.6 m95 -80.79 122.95 27.81 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.922 -175.246 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 37.6 t -76.61 149.41 80.98 Favored Pre-proline 0 C--N 1.322 -0.629 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 169.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -53.71 -29.86 53.52 Favored 'Trans proline' 0 CA--C 1.531 0.346 0 C-N-CA 122.495 2.13 . . . . 0.0 111.549 176.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -70.04 -31.05 68.5 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.627 177.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -84.66 -38.08 20.23 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.738 -176.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -64.9 -33.33 75.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.203 0.525 . . . . 0.0 110.283 177.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.88 -33.15 71.85 Favored 'General case' 0 C--O 1.221 -0.418 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.953 174.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.482 ' HA ' ' HB3' ' B' ' 19' ' ' GLU . 12.4 t-160 -71.55 -28.32 63.78 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.326 175.806 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.517 HD11 HG23 ' B' ' 50' ' ' ILE . 20.1 tp -66.42 -46.91 74.94 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.517 177.382 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . 0.736 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 13.8 ptp180 -73.65 -29.91 62.62 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 175.745 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . 0.482 ' HB3' ' HA ' ' B' ' 16' ' ' HIS . 16.0 tp10 -52.74 -55.38 23.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.417 0.627 . . . . 0.0 110.455 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.47 ' HB3' HG12 ' B' ' 36' ' ' ILE . 0.3 OUTLIER -68.16 -27.62 66.58 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.06 -0.973 . . . . 0.0 111.006 -178.561 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -73.29 -52.82 12.55 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.297 179.207 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.736 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 52.4 mt -60.9 -25.47 66.76 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.468 -178.089 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.42 -56.68 4.58 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.172 176.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' ASN . . . . . 0.588 ' O ' HG22 ' B' ' 27' ' ' VAL . 40.3 m-80 -97.54 20.23 12.12 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -171.115 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.589 ' HG3' ' OD1' ' B' ' 26' ' ' ASP . 12.8 ptmm? -79.93 -23.15 41.93 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 122.014 -0.428 . . . . 0.0 110.779 178.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . 0.589 ' OD1' ' HG3' ' B' ' 25' ' ' LYS . 1.4 m-20 -100.78 13.17 35.81 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.628 -174.616 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . 0.588 HG22 ' O ' ' B' ' 24' ' ' ASN . 22.1 m -90.94 141.21 14.75 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.791 0 CA-C-O 120.977 0.418 . . . . 0.0 110.079 177.512 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -120.91 136.61 54.91 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 -179.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.26 -0.83 69.1 Favored Glycine 0 N--CA 1.45 -0.387 0 N-CA-C 110.494 -1.042 . . . . 0.0 110.494 -172.342 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -136.81 148.79 47.38 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 114.633 -0.783 . . . . 0.0 109.577 179.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -86.17 136.1 33.33 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.176 173.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.623 ' O ' HG13 ' B' ' 36' ' ' ILE . 13.4 p -67.12 -37.32 79.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 172.696 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . 0.754 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 0.2 OUTLIER -56.63 -57.1 10.57 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 CA-C-N 115.052 -0.976 . . . . 0.0 110.495 178.872 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -53.25 -38.04 62.65 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.404 -177.125 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.52 -53.12 59.52 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.591 176.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.623 HG13 ' O ' ' B' ' 32' ' ' VAL . 36.2 mt -62.61 -59.47 4.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.128 -177.252 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.754 ' HG ' ' O ' ' B' ' 33' ' ' VAL . 8.8 mt -49.04 -41.6 35.56 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 123.922 0.764 . . . . 0.0 111.553 -173.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.79 -34.84 16.94 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.437 -0.801 . . . . 0.0 113.069 -170.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 31.8 m-70 -78.11 -29.54 49.02 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -172.278 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' B' ' 36' ' ' ILE . 0.7 OUTLIER -93.32 81.07 4.42 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.893 0.854 . . . . 0.0 111.478 178.735 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 51.5 m-80 -81.41 42.94 0.7 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.704 177.49 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . 0.472 HG22 ' HB2' ' B' ' 40' ' ' LEU . 3.5 t -105.63 -18.6 14.03 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 114.798 -1.092 . . . . 0.0 109.882 -178.706 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . 0.454 ' HB ' HH11 ' B' ' 45' ' ' ARG . 3.4 m -133.18 107.08 12.33 Favored Pre-proline 0 N--CA 1.454 -0.259 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.969 -178.307 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . 0.496 ' HD2' ' HG2' ' B' ' 7' ' ' PRO . 10.1 Cg_exo -65.88 99.98 0.41 Allowed 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 122.464 2.109 . . . . 0.0 111.048 169.771 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.634 ' NH2' ' HB1' ' B' ' 6' ' ' ALA . 4.7 ptm180 -156.29 169.83 23.66 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-O 120.922 0.392 . . . . 0.0 110.983 179.777 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 14.7 t -75.8 162.23 28.35 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.907 175.478 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . 0.521 ' N ' ' HD3' ' B' ' 47' ' ' ARG . 0.3 OUTLIER -74.18 -25.35 59.66 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.327 -172.646 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -55.18 -35.25 64.61 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.207 175.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -64.78 -43.5 93.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.248 -176.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.517 HG23 HD11 ' B' ' 17' ' ' LEU . 3.0 mp -61.87 -51.7 69.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.389 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.43 HG23 ' CG ' ' B' ' 66' ' ' PHE . 68.7 mt -56.71 -42.36 76.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.653 179.181 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -63.59 -46.17 87.07 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.202 -0.908 . . . . 0.0 112.607 -174.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 85.6 m-70 -68.67 -27.33 65.89 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 120.299 -0.56 . . . . 0.0 111.559 -178.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . 0.498 HD22 HD11 ' B' ' 59' ' ' LEU . 70.0 mt -72.82 -46.02 55.32 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.235 0.541 . . . . 0.0 110.501 -176.326 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . 0.516 HG11 ' C ' ' B' ' 62' ' ' SER . 20.3 m -74.5 -24.78 18.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 121.416 0.627 . . . . 0.0 110.414 179.634 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -83.72 -17.84 39.91 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.098 178.377 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 7.1 ttp -90.55 5.51 47.5 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.455 0.645 . . . . 0.0 110.288 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 77.41 2.41 79.56 Favored Glycine 0 N--CA 1.453 -0.232 0 CA-C-N 115.859 -0.61 . . . . 0.0 113.651 172.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.498 HD11 HD22 ' B' ' 54' ' ' LEU . 4.4 pp -90.55 -13.32 34.78 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.113 0.482 . . . . 0.0 110.256 178.377 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -137.14 166.2 24.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.862 174.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -83.74 -67.62 0.78 Allowed 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -176.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . 0.516 ' C ' HG11 ' B' ' 55' ' ' VAL . 52.4 m -151.31 171.77 16.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.992 -173.307 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 38.7 t -58.02 -30.65 39.33 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.386 0 CA-C-O 121.484 0.659 . . . . 0.0 109.503 173.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . 0.53 ' HD3' ' N ' ' B' ' 72' ' ' HIS . 36.0 mttp -65.29 -21.76 66.76 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.77 -1.105 . . . . 0.0 111.025 -178.734 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -80.01 -31.09 39.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.38 0.61 . . . . 0.0 110.008 -179.628 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' PHE . . . . . 0.544 ' HD1' HG22 ' B' ' 33' ' ' VAL . 20.2 m-85 -84.22 -48.05 10.19 Favored 'General case' 0 CA--C 1.511 -0.53 0 CA-C-O 122.132 0.968 . . . . 0.0 109.931 174.571 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -134.67 85.25 2.17 Favored 'General case' 0 N--CA 1.439 -0.987 0 CA-C-N 113.617 -1.628 . . . . 0.0 110.033 -172.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 10.9 ptt180 -66.32 81.35 0.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 122.249 1.023 . . . . 0.0 110.609 174.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -111.81 -35.38 5.74 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.108 -1.405 . . . . 0.0 108.87 179.203 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -135.79 85.17 0.25 Allowed Glycine 0 N--CA 1.446 -0.697 0 N-CA-C 109.775 -1.33 . . . . 0.0 109.775 170.261 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.41 168.34 12.85 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 113.205 0.817 . . . . 0.0 113.205 -170.369 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . 0.53 ' N ' ' HD3' ' B' ' 64' ' ' LYS . 13.3 p-80 -79.51 6.3 10.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 114.923 -1.035 . . . . 0.0 109.109 175.113 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . 0.471 HD12 ' CD1' ' B' ' 76' ' ' TRP . 0.6 OUTLIER -81.97 126.81 39.97 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.998 0 CA-C-O 122.412 1.101 . . . . 0.0 112.69 -167.129 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -55.3 133.84 18.89 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.875 0 CA-C-N 112.946 -1.934 . . . . 0.0 109.673 166.271 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.54 ' O ' ' HG ' ' B' ' 75' ' ' LEU . 0.7 OUTLIER -49.02 108.15 0.17 Allowed 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 121.287 0.565 . . . . 0.0 111.15 -178.185 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 76' ' ' TRP . . . . . 0.549 ' CH2' HD22 ' B' ' 84' ' ' LEU . 64.4 m95 -101.64 112.32 24.86 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.298 -177.616 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 77' ' ' THR . . . . . 0.589 ' O ' ' HG3' ' B' ' 81' ' ' GLU . 73.9 p -97.99 153.93 18.04 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 172.34 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -53.39 -34.76 49.22 Favored Glycine 0 C--N 1.329 0.176 0 C-N-CA 121.004 -0.617 . . . . 0.0 112.247 -178.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -67.27 -50.11 61.74 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.497 -0.352 . . . . 0.0 110.746 176.386 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -65.66 -33.3 75.56 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.819 -178.291 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 81' ' ' GLU . . . . . 0.589 ' HG3' ' O ' ' B' ' 77' ' ' THR . 78.7 mt-10 -62.62 -40.43 96.93 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.079 0.466 . . . . 0.0 109.927 177.186 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 41.3 tp -66.73 -40.84 88.52 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.593 176.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -58.96 -36.52 74.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.48 177.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . 0.549 HD22 ' CH2' ' B' ' 76' ' ' TRP . 58.7 tp -64.56 -50.49 67.1 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.862 173.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -55.58 -53.52 55.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.837 -177.6 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 55.0 mtm180 -63.91 -40.33 96.23 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.731 -174.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . 0.492 ' O ' ' HB2' ' B' ' 90' ' ' GLU . 1.4 mp -73.13 -30.35 63.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.15 0.5 . . . . 0.0 110.613 178.346 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.608 ' O ' ' HB2' ' B' ' 92' ' ' ARG . 12.9 t80 -59.98 -36.2 76.65 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.257 174.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -80.14 -32.75 38.91 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.016 0.436 . . . . 0.0 110.695 177.331 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . 0.492 ' HB2' ' O ' ' B' ' 87' ' ' LEU . 12.5 mm-40 -49.39 -52.73 26.56 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.254 -0.884 . . . . 0.0 112.236 178.262 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -109.28 17.5 21.46 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.091 0.472 . . . . 0.0 111.13 -175.449 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 92' ' ' ARG . . . . . 0.608 ' HB2' ' O ' ' B' ' 88' ' ' PHE . 37.8 ttt85 -66.91 -27.63 67.65 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.354 -177.671 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -89.28 12.42 16.12 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.176 0.512 . . . . 0.0 110.816 -179.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 15.2 m -103.71 176.25 5.21 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 176.119 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -77.59 -26.95 51.13 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.591 -179.163 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 96' ' ' ASP . . . . . 0.47 ' HA ' ' HB2' ' B' ' 131' ' ' TYR . 21.2 t70 -135.91 105.94 6.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.042 0.448 . . . . 0.0 110.277 176.736 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 97' ' ' VAL . . . . . 0.616 ' O ' HG13 ' B' ' 101' ' ' ILE . 11.8 p -77.5 -40.18 28.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.388 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . 0.464 HD12 HG13 ' B' ' 97' ' ' VAL . 3.1 mp -68.81 -44.86 72.65 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 -167.73 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 99' ' ' GLY . . . . . 0.54 ' O ' ' HD3' ' B' ' 103' ' ' LYS . . . -62.63 -28.43 71.45 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.313 -0.946 . . . . 0.0 112.07 -178.074 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 55.7 m-70 -84.67 -27.54 27.02 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -178.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 101' ' ' ILE . . . . . 0.616 HG13 ' O ' ' B' ' 97' ' ' VAL . 78.2 mt -62.75 -54.12 37.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 171.811 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 102' ' ' MET . . . . . 0.416 ' HG3' ' O ' ' B' ' 98' ' ' LEU . 49.0 mtp -59.47 -37.08 77.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.858 -172.718 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 103' ' ' LYS . . . . . 0.54 ' HD3' ' O ' ' B' ' 99' ' ' GLY . 14.3 mptt -84.87 -16.56 40.84 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 -178.027 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -110.97 10.31 22.21 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -177.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 105' ' ' ILE . . . . . 0.456 HG23 ' O ' ' B' ' 107' ' ' ALA . 9.7 tp -113.7 154.16 15.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.158 0.504 . . . . 0.0 111.016 179.446 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 106' ' ' THR . . . . . 0.412 ' N ' HG13 ' B' ' 105' ' ' ILE . 13.4 t -61.35 -32.56 72.45 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.312 -0.858 . . . . 0.0 112.164 -176.579 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . 0.456 ' O ' HG23 ' B' ' 105' ' ' ILE . . . -111.54 127.0 55.58 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.998 -0.281 . . . . 0.0 110.432 179.308 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.65 101.44 11.52 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.33 0.586 . . . . 0.0 109.934 179.001 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 109' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' B' ' 109' ' ' ARG . 40.7 mtt180 -97.11 175.46 6.29 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.266 -176.14 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 46.9 t -100.9 155.97 17.64 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.441 177.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 22.2 mmt85 -58.76 -51.22 70.89 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.005 -178.06 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -64.82 -19.71 66.0 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.861 0.362 . . . . 0.0 111.923 -175.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -83.56 -36.26 24.11 Favored 'General case' 0 CA--C 1.511 -0.528 0 CA-C-O 121.188 0.518 . . . . 0.0 110.162 177.416 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 114' ' ' ILE . . . . . 0.452 HG21 ' HG ' ' B' ' 98' ' ' LEU . 74.0 mt -71.16 -49.03 51.43 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.779 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.659 -176.571 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 115' ' ' VAL . . . . . 0.546 ' O ' HD23 ' B' ' 119' ' ' LEU . 26.8 m -64.02 -38.77 83.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.686 179.587 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -58.56 -43.87 89.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.191 0.519 . . . . 0.0 110.48 177.356 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . 0.435 ' HD3' ' CD1' ' B' ' 76' ' ' TRP . 50.7 tptt -67.66 -40.2 84.5 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.882 179.754 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 2.6 mp -57.69 -47.31 82.7 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.847 0.356 . . . . 0.0 111.531 178.598 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 119' ' ' LEU . . . . . 0.546 HD23 ' O ' ' B' ' 115' ' ' VAL . 4.5 mm? -68.1 -26.2 65.7 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.765 -178.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -81.47 -38.2 26.74 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.321 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 96.6 mt -69.98 -24.18 63.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.364 175.089 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 78.56 34.9 34.11 Favored Glycine 0 N--CA 1.441 -0.988 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 -175.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 74.5 mt -79.19 -24.17 43.36 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.458 0.647 . . . . 0.0 109.383 177.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 124' ' ' VAL . . . . . 0.432 HG21 ' CD2' ' B' ' 130' ' ' LEU . 16.0 m -144.89 176.81 2.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 114.716 -1.129 . . . . 0.0 109.652 179.218 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -115.17 -18.16 11.21 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.198 0.523 . . . . 0.0 110.048 177.261 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 126' ' ' GLU . . . . . 0.433 ' CG ' ' HG3' ' B' ' 129' ' ' GLU . 14.4 pt-20 -147.32 170.43 17.33 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.206 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 127' ' ' ARG . . . . . 0.498 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 0.3 OUTLIER -77.84 -20.56 52.89 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 179.71 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 128' ' ' ARG . . . . . 0.473 ' HA ' ' HB3' ' B' ' 132' ' ' LYS . 13.5 ttm-85 -61.02 -43.93 98.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.949 0.405 . . . . 0.0 112.043 -178.005 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 129' ' ' GLU . . . . . 0.433 ' HG3' ' CG ' ' B' ' 126' ' ' GLU . 40.2 mt-10 -60.3 -29.56 68.92 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 -169.408 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 130' ' ' LEU . . . . . 0.498 ' HG ' ' O ' ' B' ' 127' ' ' ARG . 0.1 OUTLIER -84.6 -40.49 17.44 Favored 'General case' 0 C--N 1.314 -0.945 0 C-N-CA 120.725 -0.39 . . . . 0.0 111.418 -173.597 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 131' ' ' TYR . . . . . 0.47 ' HB2' ' HA ' ' B' ' 96' ' ' ASP . 0.0 OUTLIER -158.83 39.96 0.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 119.325 -0.95 . . . . 0.0 113.492 -174.882 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . 0.473 ' HB3' ' HA ' ' B' ' 128' ' ' ARG . 15.5 tppt? -134.43 72.09 1.46 Allowed 'General case' 0 C--N 1.311 -1.097 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 166.059 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . 0.413 ' HD2' ' N ' ' B' ' 133' ' ' LYS . 0.7 OUTLIER -75.04 78.39 2.22 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 122.01 0.91 . . . . 0.0 110.682 -177.186 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 134' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -130.27 78.15 1.83 Allowed 'General case' 0 N--CA 1.441 -0.885 0 CA-C-N 114.204 -1.362 . . . . 0.0 107.996 171.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -117.17 103.75 10.51 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 114.286 -1.325 . . . . 0.0 110.147 -178.174 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -91.37 49.29 1.58 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 122.997 1.379 . . . . 0.0 108.608 174.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 137' ' ' LYS . . . . . 0.539 ' HD3' ' N ' ' B' ' 138' ' ' LEU . 11.6 tmtt? -152.11 141.71 21.76 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 112.471 -2.15 . . . . 0.0 106.537 175.007 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 138' ' ' LEU . . . . . 0.539 ' N ' ' HD3' ' B' ' 137' ' ' LYS . 8.4 mp -71.37 90.42 0.95 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 118.146 0.43 . . . . 0.0 110.375 178.557 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . -125.11 -177.28 3.81 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.102 -176.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 25.2 t -112.88 83.65 1.86 Allowed 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 173.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 141' ' ' SER . . . . . . . . . . . . . 58.6 m . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.467 -0.778 . . . . 0.0 109.554 178.187 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . 0.493 ' HB2' ' HD3' ' B' ' 2' ' ' PRO . 0.9 OUTLIER . . . . . 0 N--CA 1.485 1.313 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . 0.493 ' HD3' ' HB2' ' B' ' 1' ' ' ASP . 85.8 Cg_endo -75.58 -2.66 12.85 Favored 'Trans proline' 0 C--N 1.358 1.049 0 C-N-CA 121.552 1.502 . . . . 0.0 113.126 -175.128 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 2.9 p -84.39 27.71 0.68 Allowed 'General case' 0 C--O 1.235 0.294 0 CA-C-O 122.041 0.924 . . . . 0.0 110.439 176.326 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -87.72 -161.35 0.7 Allowed 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.173 -1.376 . . . . 0.0 108.452 175.333 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . 0.402 ' HD2' ' C ' ' B' ' 5' ' ' ARG . 2.2 tmm_? -49.28 107.7 0.16 Allowed 'General case' 0 C--O 1.231 0.095 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 168.76 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.561 ' CB ' ' HB3' ' B' ' 45' ' ' ARG . . . -79.04 152.1 76.54 Favored Pre-proline 0 C--N 1.319 -0.751 0 CA-C-N 115.244 -0.889 . . . . 0.0 112.439 -163.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -43.73 134.34 7.55 Favored 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 124.482 3.455 . . . . 0.0 113.188 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 23.8 m -63.98 131.8 48.73 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.935 178.304 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 66.8 m95 -68.94 141.83 54.88 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.284 0.564 . . . . 0.0 111.796 -175.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 45.0 p -96.66 151.86 38.18 Favored Pre-proline 0 C--N 1.316 -0.879 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 168.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_exo -56.93 -28.98 80.43 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 121.92 1.747 . . . . 0.0 111.345 178.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -65.27 -42.87 92.8 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.361 176.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -75.72 -35.58 60.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.524 -178.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -67.15 -31.59 72.12 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.1 0.476 . . . . 0.0 110.204 176.259 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.41 -34.13 77.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.124 0.488 . . . . 0.0 110.158 173.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.52 ' HA ' ' CB ' ' B' ' 19' ' ' GLU . 12.0 t-160 -76.24 -27.84 56.92 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.349 176.371 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.529 HD11 HG23 ' B' ' 50' ' ' ILE . 27.4 tp -64.48 -47.93 77.14 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 176.379 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . 0.696 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 13.1 ptt180 -75.13 -27.57 59.83 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.001 175.692 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . 0.52 ' CB ' ' HA ' ' B' ' 16' ' ' HIS . 11.1 tp10 -50.37 -52.2 39.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.508 0.671 . . . . 0.0 110.038 176.428 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.447 ' HB3' HG12 ' B' ' 36' ' ' ILE . 0.3 OUTLIER -70.53 -32.72 70.29 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 114.889 -1.05 . . . . 0.0 111.437 -178.48 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 65.8 t80 -71.36 -51.55 23.54 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-O 120.823 0.344 . . . . 0.0 110.328 -178.596 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.696 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 49.1 mt -59.46 -28.54 67.07 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.4 -178.444 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.73 -46.26 38.6 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.731 179.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 -97.68 -2.32 41.65 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -171.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 14.6 ptmm? -71.71 -12.41 61.3 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.07 0.462 . . . . 0.0 110.961 -179.331 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -96.94 6.69 48.17 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.338 0.589 . . . . 0.0 110.488 -176.193 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 42.6 t -112.94 108.3 25.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.092 -176.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -80.28 141.21 35.74 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.841 -179.038 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 92.93 -19.34 52.51 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.521 178.165 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -91.88 144.13 25.79 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-O 120.959 0.409 . . . . 0.0 110.356 178.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -69.16 95.72 0.77 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.686 172.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.574 ' O ' HG13 ' B' ' 36' ' ' ILE . 9.8 p -62.32 -39.06 82.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 C-N-CA 120.605 -0.438 . . . . 0.0 109.973 179.325 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . 0.851 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 1.8 m -65.01 -49.18 80.9 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.542 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.104 -179.578 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 47.5 tp10 -66.37 -32.5 73.92 Favored 'General case' 0 CA--C 1.521 -0.138 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 -178.169 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.35 -49.5 74.2 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.696 173.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.574 HG13 ' O ' ' B' ' 32' ' ' VAL . 48.1 mt -68.39 -57.45 9.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.839 -179.519 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.851 ' HG ' ' O ' ' B' ' 33' ' ' VAL . 14.9 mt -48.09 -40.14 22.42 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 123.557 0.536 . . . . 0.0 111.466 -175.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -89.06 -40.29 13.06 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 -171.496 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 39.6 m-70 -74.9 -24.98 58.61 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.726 -0.39 . . . . 0.0 111.904 -171.189 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' B' ' 36' ' ' ILE . 0.8 OUTLIER -99.04 80.64 2.49 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-O 121.948 0.88 . . . . 0.0 110.224 172.464 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -85.89 39.34 0.8 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 122.206 1.003 . . . . 0.0 108.876 -179.285 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 2.7 t -100.42 -17.26 17.28 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.226 -1.352 . . . . 0.0 109.756 -178.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . 0.515 ' HB ' HH11 ' B' ' 45' ' ' ARG . 2.8 m -131.56 105.69 14.39 Favored Pre-proline 0 N--CA 1.449 -0.503 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.521 -178.184 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . 0.485 ' HG2' ' HB2' ' B' ' 2' ' ' PRO . 7.1 Cg_exo -73.19 101.31 1.33 Allowed 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.758 2.305 . . . . 0.0 110.531 172.046 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.561 ' HB3' ' CB ' ' B' ' 6' ' ' ALA . 0.3 OUTLIER -155.97 176.76 12.23 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.173 0.511 . . . . 0.0 111.814 -174.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . 0.538 ' OG1' ' HG3' ' B' ' 49' ' ' GLN . 71.3 p -75.3 147.38 40.24 Favored 'General case' 0 N--CA 1.441 -0.925 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.545 178.457 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . 0.456 ' HB3' HD13 ' B' ' 37' ' ' LEU . 8.8 mmt180 -68.68 -29.45 67.91 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.144 0.497 . . . . 0.0 109.795 -173.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -51.36 -35.99 41.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.064 -0.971 . . . . 0.0 111.487 176.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.538 ' HG3' ' OG1' ' B' ' 46' ' ' THR . 52.9 mt-30 -64.59 -45.12 88.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.263 -175.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.529 HG23 HD11 ' B' ' 17' ' ' LEU . 1.8 mp -56.24 -51.73 59.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 O-C-N 123.175 0.297 . . . . 0.0 110.791 -179.377 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.497 HG23 ' CD1' ' B' ' 66' ' ' PHE . 2.9 mp -59.51 -43.99 91.98 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 CA-C-O 121.176 0.513 . . . . 0.0 110.282 179.285 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -64.38 -45.52 87.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.614 -176.034 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' HIS . . . . . 0.444 ' HB2' ' CD2' ' B' ' 17' ' ' LEU . 74.8 m-70 -67.31 -26.55 66.58 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 120.741 -0.384 . . . . 0.0 111.065 -176.567 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . 0.468 HD22 HD11 ' B' ' 59' ' ' LEU . 65.1 mt -74.43 -46.92 36.86 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.723 -179.357 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . 0.437 HG11 ' C ' ' B' ' 62' ' ' SER . 21.1 m -73.07 -19.73 18.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.284 0.564 . . . . 0.0 110.539 178.433 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -84.05 -18.62 36.4 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.912 175.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 6.1 ttp -94.01 10.9 31.67 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.333 0.587 . . . . 0.0 111.1 -175.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 68.84 21.63 75.19 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.978 -0.629 . . . . 0.0 113.452 173.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.468 HD11 HD22 ' B' ' 54' ' ' LEU . 3.8 pp -109.57 -16.11 14.03 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.428 0.632 . . . . 0.0 109.829 176.38 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -134.99 150.19 50.3 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.112 -0.949 . . . . 0.0 109.131 175.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -78.11 -56.57 4.37 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -175.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . 0.437 ' C ' HG11 ' B' ' 55' ' ' VAL . 13.2 m -149.21 172.07 15.44 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.797 -0.361 . . . . 0.0 111.548 -174.702 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 39.8 t -57.45 -28.16 30.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.933 179.541 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . 0.457 ' HD3' HG22 ' B' ' 71' ' ' THR . 28.8 mttm -61.54 -21.49 64.31 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.579 -176.619 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -66.9 -27.79 67.78 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.719 0.771 . . . . 0.0 109.995 178.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' PHE . . . . . 0.497 ' CD1' HG23 ' B' ' 51' ' ' ILE . 73.5 m-85 -110.43 -47.22 3.3 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.865 -1.061 . . . . 0.0 110.671 -177.05 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -127.92 83.6 2.17 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.096 -0.957 . . . . 0.0 110.16 -176.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 28.4 ttp180 -69.52 85.87 0.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.334 0.587 . . . . 0.0 110.379 175.331 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -109.74 -24.87 10.67 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.589 177.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -149.29 118.44 0.95 Allowed Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.38 -0.914 . . . . 0.0 112.724 -177.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . 0.477 ' OG1' ' HB3' ' B' ' 110' ' ' SER . 1.9 p -124.19 100.36 6.67 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.149 0.499 . . . . 0.0 111.21 174.584 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . 0.804 ' CE1' ' HB ' ' B' ' 73' ' ' ILE . 12.6 p80 -54.03 -40.66 67.28 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.141 -0.936 . . . . 0.0 108.507 170.13 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . 0.804 ' HB ' ' CE1' ' B' ' 72' ' ' HIS . 0.6 OUTLIER -165.93 149.31 1.92 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.713 0 CA-C-N 113.242 -1.799 . . . . 0.0 107.373 -174.631 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 27.9 m -109.91 149.92 12.73 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.522 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 168.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -48.51 95.57 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.687 0.756 . . . . 0.0 111.37 -172.365 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 76' ' ' TRP . . . . . 0.488 ' HE1' ' HD2' ' B' ' 113' ' ' ARG . 18.2 m95 -91.35 108.71 20.07 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.205 -171.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 65.1 p -112.16 168.09 9.89 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.431 176.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.51 -38.41 80.41 Favored Glycine 0 CA--C 1.517 0.176 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.226 178.197 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . 0.446 ' O ' ' HG3' ' B' ' 83' ' ' GLU . 3.0 m-20 -63.05 -57.05 11.96 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.935 0.398 . . . . 0.0 110.632 178.284 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 80' ' ' GLN . . . . . 0.462 ' HG3' HH21 ' B' ' 109' ' ' ARG . 24.8 tt0 -61.11 -34.97 75.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.574 -177.076 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -66.93 -44.16 81.4 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.159 178.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 3.2 tt -61.42 -31.54 71.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.779 177.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . 0.446 ' HG3' ' O ' ' B' ' 79' ' ' ASP . 53.5 mt-10 -61.48 -56.41 20.46 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.885 0.374 . . . . 0.0 110.644 176.515 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 45.6 tp -59.11 -40.81 86.52 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.252 -173.031 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -55.64 -52.11 64.92 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 123.344 0.403 . . . . 0.0 110.889 179.198 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 86' ' ' ARG . . . . . 0.44 ' O ' ' HG2' ' B' ' 90' ' ' GLU . 50.0 mtm105 -60.55 -54.95 39.31 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.811 -175.635 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . 0.4 ' HB3' HG12 ' B' ' 101' ' ' ILE . 7.5 mp -61.89 -38.05 86.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.54 -176.419 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.639 ' CE1' ' HB3' ' B' ' 123' ' ' LEU . 11.5 t80 -54.79 -45.03 74.26 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.323 178.395 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -71.55 -35.17 70.54 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.596 -0.274 . . . . 0.0 111.498 -176.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' B' ' 86' ' ' ARG . 8.7 pt-20 -88.42 -19.58 26.37 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.649 -0.421 . . . . 0.0 111.951 -171.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -104.6 8.67 35.38 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.206 0.527 . . . . 0.0 110.27 173.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 92' ' ' ARG . . . . . 0.456 ' HB2' ' O ' ' B' ' 88' ' ' PHE . 53.3 ttt180 -67.89 -22.7 65.08 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.838 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -95.65 10.76 35.68 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.162 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 94' ' ' SER . . . . . 0.4 ' O ' ' HE2' ' B' ' 132' ' ' LYS . 38.7 m -102.9 177.48 4.83 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.279 -177.779 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -67.68 -38.88 84.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.959 -174.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -143.84 108.3 4.83 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 173.094 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 97' ' ' VAL . . . . . 0.557 ' O ' HG13 ' B' ' 101' ' ' ILE . 3.5 p -63.31 -41.83 94.16 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.268 -175.223 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . 0.426 ' O ' ' HB ' ' B' ' 101' ' ' ILE . 4.7 mp -67.28 -43.14 82.54 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 111.706 0.261 . . . . 0.0 111.706 -175.647 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 99' ' ' GLY . . . . . 0.634 ' O ' ' HD3' ' B' ' 103' ' ' LYS . . . -63.26 -42.41 99.31 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 121.08 -0.581 . . . . 0.0 112.074 179.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 31.5 m-70 -71.2 -30.57 66.55 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 101' ' ' ILE . . . . . 0.557 HG13 ' O ' ' B' ' 97' ' ' VAL . 48.6 mt -57.64 -56.8 13.32 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.237 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.772 170.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 102' ' ' MET . . . . . 0.445 ' HE3' ' HG3' ' B' ' 111' ' ' ARG . 50.9 mtt -55.1 -40.95 71.02 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.094 -0.503 . . . . 0.0 112.349 -175.572 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 103' ' ' LYS . . . . . 0.634 ' HD3' ' O ' ' B' ' 99' ' ' GLY . 5.1 mptp? -69.94 -34.97 74.14 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.531 -178.676 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 48.6 m-80 -100.72 3.09 42.02 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -174.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 105' ' ' ILE . . . . . 0.49 HG13 ' H ' ' B' ' 107' ' ' ALA . 10.8 tp -104.09 148.09 9.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.156 0.503 . . . . 0.0 111.005 -178.159 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.0 -37.52 64.38 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.701 -178.723 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . 0.49 ' H ' HG13 ' B' ' 105' ' ' ILE . . . -86.88 128.71 35.05 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-O 120.789 0.328 . . . . 0.0 110.765 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.91 101.05 13.67 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 176.68 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 109' ' ' ARG . . . . . 0.462 HH21 ' HG3' ' B' ' 80' ' ' GLN . 33.2 mtt180 -111.82 166.01 11.57 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.438 -175.696 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 110' ' ' SER . . . . . 0.477 ' HB3' ' OG1' ' B' ' 71' ' ' THR . 42.8 t -98.68 154.58 17.85 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 176.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 111' ' ' ARG . . . . . 0.445 ' HG3' ' HE3' ' B' ' 102' ' ' MET . 73.6 mtt180 -63.75 -38.12 89.92 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -175.071 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -55.53 -38.4 69.19 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.362 0.601 . . . . 0.0 111.11 178.475 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . 0.694 ' O ' ' HD3' ' B' ' 113' ' ' ARG . 6.8 tpp180 -84.65 -24.12 29.19 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.506 -178.468 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 114' ' ' ILE . . . . . 0.475 HG13 ' O ' ' B' ' 110' ' ' SER . 87.2 mt -73.86 -49.78 32.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 122.036 -0.415 . . . . 0.0 110.837 175.312 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 115' ' ' VAL . . . . . 0.515 ' O ' HD23 ' B' ' 119' ' ' LEU . 30.1 m -62.28 -38.83 82.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.18 -175.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 116' ' ' ASP . . . . . 0.402 ' HB3' ' NH1' ' B' ' 113' ' ' ARG . 20.5 t70 -67.21 -34.8 78.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.209 0.528 . . . . 0.0 110.297 179.14 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . 0.409 ' HE3' HD11 ' B' ' 121' ' ' LEU . 52.3 tptt -70.03 -33.67 72.27 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.022 -176.577 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . 0.427 HD12 HD13 ' B' ' 130' ' ' LEU . 17.1 mt -60.63 -44.88 95.84 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 121.012 0.434 . . . . 0.0 110.289 176.662 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 119' ' ' LEU . . . . . 0.515 HD23 ' O ' ' B' ' 115' ' ' VAL . 4.4 mm? -60.89 -28.93 69.25 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.942 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.96 -38.93 52.34 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.031 -177.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 121' ' ' LEU . . . . . 0.409 HD11 ' HE3' ' B' ' 117' ' ' LYS . 11.0 mp -75.21 -25.34 58.09 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.764 175.658 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 80.55 32.8 32.92 Favored Glycine 0 N--CA 1.446 -0.682 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 -173.373 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . 0.639 ' HB3' ' CE1' ' B' ' 88' ' ' PHE . 78.4 mt -78.29 -24.41 46.74 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-O 121.748 0.785 . . . . 0.0 109.244 179.083 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 124' ' ' VAL . . . . . 0.487 HG11 HD22 ' B' ' 130' ' ' LEU . 29.0 m -137.13 168.01 22.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 114.229 -1.35 . . . . 0.0 109.839 175.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -99.48 -20.28 16.5 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 115.685 -0.688 . . . . 0.0 109.982 177.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 126' ' ' GLU . . . . . 0.457 ' OE2' ' HB3' ' B' ' 128' ' ' ARG . 16.5 pt-20 -160.21 177.99 10.1 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.05 -176.636 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 127' ' ' ARG . . . . . 0.658 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 0.3 OUTLIER -77.79 -25.65 49.12 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.741 0.305 . . . . 0.0 111.485 -179.337 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 128' ' ' ARG . . . . . 0.457 ' HB3' ' OE2' ' B' ' 126' ' ' GLU . 15.7 ttt180 -55.81 -35.54 66.44 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -178.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -69.1 -25.29 64.35 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.761 0.315 . . . . 0.0 111.657 -176.273 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 130' ' ' LEU . . . . . 0.658 ' HG ' ' O ' ' B' ' 127' ' ' ARG . 0.1 OUTLIER -99.93 14.44 30.46 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.343 0.592 . . . . 0.0 110.638 -178.482 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 131' ' ' TYR . . . . . 0.508 ' CE1' ' HB3' ' B' ' 127' ' ' ARG . 22.1 m-85 -120.66 92.68 3.82 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 107.377 -1.342 . . . . 0.0 107.377 172.62 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . 0.4 ' HE2' ' O ' ' B' ' 94' ' ' SER . 31.3 mmmt -54.3 105.45 0.15 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.6 -1.182 . . . . 0.0 113.674 -165.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -86.88 142.48 28.0 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 114.768 -1.106 . . . . 0.0 108.519 168.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 134' ' ' ARG . . . . . 0.511 ' O ' ' HG2' ' B' ' 134' ' ' ARG . 0.0 OUTLIER -68.8 77.66 0.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 122.284 1.04 . . . . 0.0 110.619 176.591 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -133.05 111.86 11.33 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.778 -1.101 . . . . 0.0 110.077 176.494 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 44.3 mttp -96.39 72.16 2.77 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.804 0.812 . . . . 0.0 110.233 175.028 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.74 152.75 37.14 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 114.058 -1.428 . . . . 0.0 107.388 176.556 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 87.7 mt -43.83 103.55 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.435 0 O-C-N 123.761 0.663 . . . . 0.0 110.816 -177.182 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . -79.59 81.95 5.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.83 -172.012 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 19.5 m -130.77 111.48 12.19 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.162 172.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 141' ' ' SER . . . . . . . . . . . . . 8.3 m . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.785 -0.626 . . . . 0.0 110.378 -176.858 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.201 0 CA-C-O 119.608 -0.234 . . . . 0.0 111.44 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -79.95 -43.29 0.13 Allowed 'Trans proline' 0 C--N 1.358 1.029 0 C-N-CA 121.537 1.491 . . . . 0.0 113.484 -173.343 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 35.3 t -109.14 -55.22 2.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.847 0.356 . . . . 0.0 110.98 -177.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -124.87 176.8 6.39 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 110.202 -0.296 . . . . 0.0 110.202 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 2.8 tmm_? -64.79 129.98 41.78 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 174.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.4 ' HB1' ' NH2' ' B' ' 45' ' ' ARG . . . -55.66 120.42 32.15 Favored Pre-proline 0 C--N 1.329 -0.301 0 O-C-N 123.519 0.512 . . . . 0.0 111.841 -175.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -58.98 178.64 0.25 Allowed 'Trans proline' 0 C--O 1.235 0.353 0 C-N-CA 123.23 2.62 . . . . 0.0 112.623 175.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 28.7 m -105.97 126.18 51.88 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.359 177.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' TRP . . . . . 0.506 ' CZ2' HG21 ' B' ' 43' ' ' VAL . 79.6 m95 -76.73 101.44 5.81 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.605 178.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 14.6 m -68.83 151.33 97.31 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.336 173.309 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -47.73 -41.3 31.34 Favored 'Trans proline' 0 CA--C 1.53 0.319 0 C-N-CA 122.821 2.348 . . . . 0.0 113.01 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . 0.444 ' H ' ' CD ' ' B' ' 12' ' ' GLU . 1.7 mp0 -60.4 -42.71 96.5 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.095 0.474 . . . . 0.0 110.387 177.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -71.51 -32.7 68.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.216 -176.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . 0.413 ' O ' ' HB3' ' B' ' 17' ' ' LEU . 54.2 mt-10 -71.21 -34.4 70.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.057 0.456 . . . . 0.0 110.188 175.698 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.09 -28.6 67.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.234 0.54 . . . . 0.0 109.923 174.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.533 ' O ' ' HB3' ' B' ' 19' ' ' GLU . 11.5 t-160 -79.02 -31.42 44.67 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.1 175.43 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.543 HD11 HG23 ' B' ' 50' ' ' ILE . 27.6 tp -58.61 -53.47 57.96 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.626 174.27 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . 0.752 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 14.9 ptm180 -71.32 -28.39 64.06 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.547 177.155 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . 0.533 ' HB3' ' O ' ' B' ' 16' ' ' HIS . 8.6 tp10 -51.8 -50.03 61.56 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 121.66 0.743 . . . . 0.0 110.373 176.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.472 HD11 ' CB ' ' B' ' 39' ' ' HIS . 0.4 OUTLIER -73.62 -31.81 63.73 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.888 -1.051 . . . . 0.0 110.494 -177.894 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' TYR . . . . . 0.405 ' O ' ' HB3' ' B' ' 25' ' ' LYS . 71.3 t80 -68.94 -52.02 33.56 Favored 'General case' 0 C--O 1.222 -0.345 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.97 -179.729 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.752 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 49.1 mt -65.02 -22.42 66.99 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.84 -176.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.85 -37.26 62.26 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.772 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 -119.69 15.09 12.71 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -174.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.405 ' HB3' ' O ' ' B' ' 21' ' ' TYR . 14.9 ptmm? -72.47 -22.98 60.99 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.001 0.429 . . . . 0.0 111.426 -175.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -95.18 4.68 53.33 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.268 -175.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 37.8 t -90.48 108.01 19.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 178.575 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -89.22 135.53 33.52 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.594 -177.021 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.95 19.65 39.17 Favored Glycine 0 N--CA 1.447 -0.586 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -176.453 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -132.54 145.31 51.04 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.279 -0.46 . . . . 0.0 110.429 -177.661 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -77.59 95.27 4.52 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 173.001 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.471 ' O ' HG13 ' B' ' 36' ' ' ILE . 4.3 p -63.44 -27.92 43.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 178.256 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . 0.783 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 1.7 t -62.73 -60.61 2.48 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.126 178.273 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.449 ' HA ' HD12 ' B' ' 37' ' ' LEU . 7.1 tp10 -61.0 -33.68 73.63 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.513 -177.235 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.46 -47.16 69.99 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.41 0.624 . . . . 0.0 109.599 175.316 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.479 ' O ' ' HG ' ' B' ' 40' ' ' LEU . 51.3 mt -74.14 -57.74 6.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.821 179.358 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.783 ' HG ' ' O ' ' B' ' 33' ' ' VAL . 13.1 mt -46.62 -45.14 18.86 Favored 'General case' 0 N--CA 1.474 0.775 0 O-C-N 123.825 0.703 . . . . 0.0 111.494 -175.248 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.85 -25.89 21.93 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.214 -0.903 . . . . 0.0 113.405 -169.246 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' HIS . . . . . 0.472 ' CB ' HD11 ' B' ' 20' ' ' LEU . 24.2 m-70 -85.98 -26.19 25.6 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.512 0.56 . . . . 0.0 112.512 -174.519 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' B' ' 36' ' ' ILE . 0.6 OUTLIER -97.81 83.28 3.15 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.917 0.865 . . . . 0.0 111.459 176.91 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 52.8 m-80 -83.41 39.7 0.68 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.64 0.733 . . . . 0.0 110.065 178.447 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 3.0 t -99.41 -10.98 21.56 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 114.73 -1.123 . . . . 0.0 109.198 175.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . 0.506 HG21 ' CZ2' ' B' ' 9' ' ' TRP . 2.0 m -140.37 103.14 6.6 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 115.136 -0.938 . . . . 0.0 111.508 -177.633 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -77.53 95.46 1.07 Allowed 'Trans proline' 0 CA--C 1.532 0.375 0 C-N-CA 122.072 1.848 . . . . 0.0 111.42 172.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.48 ' CD ' ' HB ' ' B' ' 43' ' ' VAL . 6.0 ptm180 -153.05 168.86 24.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.075 0.464 . . . . 0.0 111.72 -176.622 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 11.6 t -65.88 160.81 22.53 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.747 -177.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . 0.448 ' HB3' HD13 ' B' ' 37' ' ' LEU . 9.7 mmm180 -72.81 -27.3 61.88 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.904 -171.688 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 30.3 ttpt -55.89 -37.14 68.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.141 -0.936 . . . . 0.0 111.47 176.436 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 69.9 mm-40 -58.89 -53.03 63.02 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.517 -175.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.543 HG23 HD11 ' B' ' 17' ' ' LEU . 3.0 mp -57.73 -49.07 82.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.849 -178.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.486 HG23 ' CG ' ' B' ' 66' ' ' PHE . 77.3 mt -56.02 -47.35 80.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 121.462 0.649 . . . . 0.0 110.584 178.366 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' HIS . . . . . 0.527 ' O ' ' HB2' ' B' ' 56' ' ' GLN . 0.1 OUTLIER -54.49 -50.26 68.21 Favored 'General case' 0 C--O 1.22 -0.499 0 CA-C-N 114.906 -1.043 . . . . 0.0 111.644 -178.521 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -73.23 -22.07 60.5 Favored 'General case' 0 C--N 1.314 -0.965 0 C-N-CA 120.961 -0.296 . . . . 0.0 111.542 -170.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . 0.447 ' CD2' HD11 ' B' ' 59' ' ' LEU . 79.7 mt -69.42 -50.47 45.51 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.806 0.336 . . . . 0.0 110.449 173.336 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 32.7 m -76.39 -31.16 20.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 C-N-CA 120.843 -0.343 . . . . 0.0 111.335 -178.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' GLN . . . . . 0.527 ' HB2' ' O ' ' B' ' 52' ' ' HIS . 0.0 OUTLIER -61.4 -29.77 70.14 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-O 121.021 0.438 . . . . 0.0 110.635 174.185 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 19.4 ttm -85.84 -0.64 55.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.957 -176.375 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 68.61 17.79 71.28 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 121.163 -0.541 . . . . 0.0 112.431 178.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.447 HD11 ' CD2' ' B' ' 54' ' ' LEU . 4.5 pp -99.09 -19.49 17.18 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.401 0.62 . . . . 0.0 109.889 178.495 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -115.99 168.27 10.23 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.172 -0.922 . . . . 0.0 109.791 175.203 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -81.35 -68.32 0.7 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.952 0.406 . . . . 0.0 111.764 -175.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . 0.432 ' OG ' HG21 ' B' ' 73' ' ' ILE . 19.6 m -154.15 165.69 35.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.65 -173.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' VAL . . . . . 0.419 HG22 HG22 ' B' ' 51' ' ' ILE . 49.3 t -68.82 -24.93 29.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.327 177.268 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . 0.599 ' HG2' ' HA ' ' B' ' 69' ' ' LYS . 46.4 mtpt -61.22 -34.39 75.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.428 -0.806 . . . . 0.0 111.215 -179.374 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -66.3 -31.48 72.31 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.055 -179.247 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' PHE . . . . . 0.486 ' CG ' HG23 ' B' ' 51' ' ' ILE . 19.9 m-85 -91.96 -50.39 5.73 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.464 -176.045 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -152.04 -89.96 0.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.508 0.671 . . . . 0.0 112.645 -170.555 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 53.3 ttt180 -69.66 105.85 2.85 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 114.68 -1.145 . . . . 0.0 110.994 -173.291 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . 0.599 ' HA ' ' HG2' ' B' ' 64' ' ' LYS . 60.7 pttt -87.87 12.53 12.86 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.232 -177.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -79.07 36.6 1.93 Allowed Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 121.176 -0.535 . . . . 0.0 112.118 176.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . 0.452 ' HB ' ' HD2' ' B' ' 64' ' ' LYS . 0.9 OUTLIER -103.86 146.47 28.61 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 177.865 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -74.37 5.68 4.37 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.585 -0.279 . . . . 0.0 110.924 -178.072 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . 0.432 HG21 ' OG ' ' B' ' 62' ' ' SER . 7.9 mm -64.93 129.61 29.24 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 CA-C-O 121.862 0.839 . . . . 0.0 111.639 -176.743 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . 0.42 HG13 ' HD3' ' B' ' 113' ' ' ARG . 26.9 m -78.95 152.13 4.95 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.02 0 CA-C-N 113.75 -1.568 . . . . 0.0 109.994 178.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -50.14 89.8 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.464 0.65 . . . . 0.0 111.862 179.741 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 76' ' ' TRP . . . . . 0.485 ' CH2' HD22 ' B' ' 84' ' ' LEU . 17.6 m95 -81.85 109.24 16.04 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 121.412 0.625 . . . . 0.0 110.018 -179.754 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 77' ' ' THR . . . . . 0.512 ' O ' ' HG3' ' B' ' 81' ' ' GLU . 70.9 p -114.35 163.25 15.55 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.374 179.745 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -54.83 -36.01 59.22 Favored Glycine 0 N--CA 1.453 -0.195 0 C-N-CA 120.512 -0.851 . . . . 0.0 111.924 177.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -72.26 -40.78 67.4 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.532 0.206 . . . . 0.0 110.749 178.531 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 80' ' ' GLN . . . . . 0.419 ' HG2' ' CZ3' ' B' ' 76' ' ' TRP . 25.5 tt0 -68.3 -36.52 79.47 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 121.052 -0.259 . . . . 0.0 110.796 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 81' ' ' GLU . . . . . 0.512 ' HG3' ' O ' ' B' ' 77' ' ' THR . 52.7 mt-10 -64.33 -35.14 79.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.957 0.408 . . . . 0.0 110.019 177.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 51.7 tp -68.43 -42.23 79.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.626 175.167 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -63.13 -27.56 69.46 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.667 177.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . 0.664 HD11 HG23 ' B' ' 114' ' ' ILE . 67.0 tp -72.37 -50.73 24.48 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 171.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -48.07 -61.36 2.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.936 179.101 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 72.8 mtt180 -56.86 -52.75 63.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.983 -174.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 7.3 mp -66.77 -32.82 74.35 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 111.871 0.323 . . . . 0.0 111.871 -176.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.508 ' CE1' ' HB3' ' B' ' 123' ' ' LEU . 13.8 t80 -55.34 -50.41 69.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.576 -0.283 . . . . 0.0 110.753 178.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -72.72 -38.02 67.6 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.841 0.353 . . . . 0.0 110.796 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -60.55 -28.33 68.35 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.547 -176.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -121.21 12.7 11.06 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.479 -179.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 92' ' ' ARG . . . . . 0.423 ' HB2' ' O ' ' B' ' 88' ' ' PHE . 53.9 ttt180 -66.64 -30.12 70.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.979 0.419 . . . . 0.0 111.094 -178.019 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -92.09 17.79 8.98 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.221 0.534 . . . . 0.0 111.013 -176.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 83.3 p -103.75 -178.87 3.79 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 176.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -66.48 -49.03 67.98 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.976 0.417 . . . . 0.0 110.884 -174.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -135.41 107.03 6.93 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.192 0.52 . . . . 0.0 109.825 177.192 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 97' ' ' VAL . . . . . 0.511 ' O ' HG13 ' B' ' 101' ' ' ILE . 2.9 p -65.32 -38.79 83.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.465 -0.789 . . . . 0.0 112.163 -175.055 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . 0.826 HD22 HG21 ' B' ' 114' ' ' ILE . 8.1 mt -69.82 -36.28 75.5 Favored 'General case' 0 N--CA 1.463 0.209 0 C-N-CA 120.501 -0.479 . . . . 0.0 111.26 -174.604 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 99' ' ' GLY . . . . . 0.704 ' O ' ' HD3' ' B' ' 103' ' ' LYS . . . -59.84 -44.46 97.04 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.625 -0.798 . . . . 0.0 111.416 175.753 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -68.77 -29.08 67.39 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 179.065 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 101' ' ' ILE . . . . . 0.607 ' O ' HG22 ' B' ' 105' ' ' ILE . 32.3 mt -60.41 -58.72 6.09 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.113 173.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 61.3 mtt -57.69 -37.59 73.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.666 0.269 . . . . 0.0 111.535 -176.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 103' ' ' LYS . . . . . 0.704 ' HD3' ' O ' ' B' ' 99' ' ' GLY . 4.6 mptp? -69.51 -34.01 73.66 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.491 -177.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -99.11 -25.88 14.39 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 -174.14 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 105' ' ' ILE . . . . . 0.607 HG22 ' O ' ' B' ' 101' ' ' ILE . 11.0 tp -91.5 149.86 3.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.579 0.704 . . . . 0.0 111.246 -177.113 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 8.1 t -69.72 -37.57 76.58 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-N 114.719 -1.128 . . . . 0.0 111.468 -177.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . 0.435 ' O ' HG23 ' B' ' 105' ' ' ILE . . . -84.86 128.62 34.7 Favored 'General case' 0 CA--C 1.513 -0.476 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -81.3 102.1 10.19 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 108.166 -1.049 . . . . 0.0 108.166 176.229 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 109' ' ' ARG . . . . . 0.542 ' HA ' HH11 ' B' ' 113' ' ' ARG . 47.8 mtt180 -107.26 118.59 37.1 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.394 -176.393 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 110' ' ' SER . . . . . 0.696 ' H ' ' NH1' ' B' ' 113' ' ' ARG . 27.1 t -64.45 158.31 24.2 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.037 178.638 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 111' ' ' ARG . . . . . 0.545 HH21 ' HB2' ' B' ' 98' ' ' LEU . 39.8 mtp180 -71.84 -35.44 69.88 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.132 -0.486 . . . . 0.0 112.203 -166.104 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 112' ' ' ALA . . . . . 0.443 ' O ' ' HB2' ' B' ' 116' ' ' ASP . . . -62.64 -29.57 70.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.966 0.412 . . . . 0.0 110.432 176.521 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . 0.696 ' NH1' ' H ' ' B' ' 110' ' ' SER . 55.4 mtt180 -71.06 -41.53 70.61 Favored 'General case' 0 CA--C 1.515 -0.383 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 179.204 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 114' ' ' ILE . . . . . 0.826 HG21 HD22 ' B' ' 98' ' ' LEU . 71.8 mt -70.66 -58.16 6.03 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.687 0 CA-C-N 114.652 -1.158 . . . . 0.0 111.833 -176.641 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 115' ' ' VAL . . . . . 0.601 ' O ' HD23 ' B' ' 119' ' ' LEU . 16.8 m -62.36 -34.04 62.26 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.642 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.64 -170.432 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 116' ' ' ASP . . . . . 0.443 ' HB2' ' O ' ' B' ' 112' ' ' ALA . 0.1 OUTLIER -73.62 -32.7 64.2 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.509 178.25 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . 0.473 ' HA ' ' HD2' ' B' ' 117' ' ' LYS . 11.7 tptm -79.29 -26.52 42.27 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 120.23 -0.588 . . . . 0.0 110.502 -177.022 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . 0.446 ' HB3' HG22 ' B' ' 124' ' ' VAL . 10.2 mt -60.82 -49.09 78.89 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-O 120.913 0.387 . . . . 0.0 110.74 174.303 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 119' ' ' LEU . . . . . 0.601 HD23 ' O ' ' B' ' 115' ' ' VAL . 4.6 mm? -59.51 -31.57 69.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.501 178.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -73.01 -46.13 53.81 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.968 -178.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 121' ' ' LEU . . . . . 0.456 HD13 ' O ' ' B' ' 117' ' ' LYS . 10.8 mp -66.04 -24.71 66.79 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.119 176.096 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 80.74 31.31 36.55 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.662 -0.78 . . . . 0.0 111.321 -174.309 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . 0.508 ' HB3' ' CE1' ' B' ' 88' ' ' PHE . 51.3 mt -80.39 -24.02 40.0 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-O 121.766 0.793 . . . . 0.0 109.364 179.129 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 124' ' ' VAL . . . . . 0.446 HG22 ' HB3' ' B' ' 118' ' ' LEU . 19.6 m -139.55 172.78 12.32 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-N 114.551 -1.204 . . . . 0.0 110.014 176.003 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -112.77 -17.94 12.42 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.312 178.004 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -149.27 168.25 23.84 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.642 178.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 127' ' ' ARG . . . . . 0.763 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 94.6 mtt180 -78.08 -20.93 51.31 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 121.103 -0.239 . . . . 0.0 111.25 178.543 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 128' ' ' ARG . . . . . . . . . . . . . 5.6 ttm180 -55.37 -39.52 70.19 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.813 0.339 . . . . 0.0 111.718 -178.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 129' ' ' GLU . . . . . 0.551 ' HG2' ' CA ' ' B' ' 141' ' ' SER . 30.6 mt-10 -62.07 -27.8 69.16 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.813 -175.344 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 130' ' ' LEU . . . . . 0.763 ' HG ' ' O ' ' B' ' 127' ' ' ARG . 0.1 OUTLIER -92.83 4.53 53.67 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.277 0.561 . . . . 0.0 110.959 -177.233 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 131' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -128.05 91.44 3.27 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 171.059 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 56.4 tttp -54.35 99.74 0.03 OUTLIER 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.527 0.68 . . . . 0.0 112.214 -167.09 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -83.27 153.2 24.79 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 114.96 -1.018 . . . . 0.0 108.493 176.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 134' ' ' ARG . . . . . 0.623 ' HD2' ' N ' ' B' ' 134' ' ' ARG . 5.9 mpt_? -87.17 79.95 8.45 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 -176.657 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -93.01 98.75 11.55 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 114.256 -1.338 . . . . 0.0 110.885 -173.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 27.0 mmmt -90.97 53.1 2.29 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.654 0.74 . . . . 0.0 109.347 179.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 57.8 tptt -148.81 147.84 29.23 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.569 -1.196 . . . . 0.0 108.552 -177.206 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 59.2 tp -74.47 79.37 1.92 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.464 0.649 . . . . 0.0 110.04 176.234 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . -125.86 148.68 49.1 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.372 175.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 16.8 m -99.38 84.22 2.96 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.907 0.384 . . . . 0.0 111.157 -179.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 141' ' ' SER . . . . . 0.551 ' CA ' ' HG2' ' B' ' 129' ' ' GLU . 70.6 m . . . . . 0 C--O 1.248 0.999 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 176.404 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 . . . . . 0 N--CA 1.481 1.113 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -67.51 -68.41 0.03 OUTLIER 'Trans proline' 0 CA--C 1.531 0.363 0 C-N-CA 122.656 2.237 . . . . 0.0 113.732 -177.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 8.9 p -96.19 -55.46 2.95 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.148 0.499 . . . . 0.0 111.684 -174.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -135.33 157.15 47.63 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.853 -178.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . 0.414 ' HD3' ' C ' ' B' ' 5' ' ' ARG . 3.4 tmt_? -68.27 123.45 20.78 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 170.323 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.75 133.52 90.45 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-O 121.388 0.613 . . . . 0.0 112.276 -174.495 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -73.09 169.73 21.53 Favored 'Trans proline' 0 N--CA 1.452 -0.927 0 C-N-CA 122.723 2.282 . . . . 0.0 111.865 172.417 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 1.9 p -81.32 115.4 20.67 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 172.389 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' TRP . . . . . 0.416 ' HB3' ' HG3' ' B' ' 14' ' ' GLU . 25.6 m95 -52.69 125.95 18.33 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.945 -175.476 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 18.8 m -75.05 150.14 85.52 Favored Pre-proline 0 N--CA 1.446 -0.664 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 171.568 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_exo -50.72 -40.4 56.28 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.631 2.221 . . . . 0.0 112.65 -178.079 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -59.02 -39.99 83.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.294 179.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -71.71 -37.67 70.63 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.303 -176.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . 0.416 ' HG3' ' HB3' ' B' ' 9' ' ' TRP . 32.1 mt-10 -74.86 -27.06 60.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.934 0.397 . . . . 0.0 110.516 177.292 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . 0.532 ' O ' ' HB2' ' B' ' 19' ' ' GLU . . . -68.5 -22.2 64.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.215 0.531 . . . . 0.0 109.691 172.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.492 ' HA ' ' CB ' ' B' ' 19' ' ' GLU . 17.8 t-160 -90.77 -28.28 18.35 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.355 176.134 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.43 ' CD2' ' HB2' ' B' ' 53' ' ' HIS . 32.2 tp -65.52 -46.28 80.23 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.489 174.433 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . 0.754 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 30.4 ptt180 -71.59 -30.94 66.39 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 175.593 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . 0.532 ' HB2' ' O ' ' B' ' 15' ' ' ALA . 10.2 tp10 -53.52 -50.51 65.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.236 -179.174 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.43 -26.17 59.9 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.923 -1.035 . . . . 0.0 110.899 -178.159 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' TYR . . . . . 0.457 ' HA ' HD11 ' B' ' 36' ' ' ILE . 82.9 t80 -71.81 -51.96 19.92 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-O 121.107 0.48 . . . . 0.0 110.038 178.314 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.754 ' HG ' ' O ' ' B' ' 18' ' ' ARG . 27.6 mt -62.86 -18.93 63.62 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.972 -178.224 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.79 -38.54 32.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.093 178.304 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 49.4 m-80 -114.73 12.84 17.18 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -174.056 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.446 ' HD2' ' HA ' ' B' ' 22' ' ' LEU . 22.1 ptmt -68.73 -26.5 65.29 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -174.562 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -106.83 12.12 29.31 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.116 0.484 . . . . 0.0 110.66 -175.31 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 60.9 t -93.55 107.87 19.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.23 179.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -86.68 148.04 25.63 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.165 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 92.45 -3.93 76.05 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.703 -0.76 . . . . 0.0 111.516 -177.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . 0.443 ' HG2' ' N ' ' B' ' 31' ' ' ASP . 13.7 tt0 -130.77 147.82 52.47 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.875 0.369 . . . . 0.0 110.314 179.809 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . 0.443 ' N ' ' HG2' ' B' ' 30' ' ' GLN . 6.3 m-20 -76.29 109.29 9.86 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.655 170.701 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.411 ' O ' HG13 ' B' ' 36' ' ' ILE . 7.8 p -58.94 -35.45 56.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 170.348 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . 0.668 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 3.8 t -53.51 -59.97 1.57 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.542 0 CA-C-N 114.191 -1.368 . . . . 0.0 110.524 178.334 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.531 ' HA ' ' CD1' ' B' ' 37' ' ' LEU . 38.9 tt0 -67.99 -34.66 76.97 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.795 -175.806 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.33 -42.16 73.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.664 0.745 . . . . 0.0 109.92 177.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.463 HD13 HD11 ' B' ' 54' ' ' LEU . 76.9 mt -72.98 -61.99 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 114.878 -1.055 . . . . 0.0 111.252 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.668 ' HG ' ' O ' ' B' ' 33' ' ' VAL . 3.3 pp -63.36 -18.99 64.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.605 -0.725 . . . . 0.0 112.678 -172.128 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . 0.42 ' N ' HD12 ' B' ' 37' ' ' LEU . . . -81.72 -50.38 9.35 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.712 0.291 . . . . 0.0 111.521 179.002 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 49.5 m-70 -75.47 -29.35 59.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.824 0.345 . . . . 0.0 110.894 -173.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 1.4 mt -88.03 79.29 8.02 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.343 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -111.0 36.83 3.01 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 122.096 0.95 . . . . 0.0 109.025 172.363 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -82.31 -30.43 30.49 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 113.883 -1.508 . . . . 0.0 109.019 172.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -111.34 117.93 48.46 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 114.781 -1.1 . . . . 0.0 108.886 173.662 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -79.93 103.7 1.59 Allowed 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 122.161 1.907 . . . . 0.0 111.551 177.507 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.472 HH11 ' HB2' ' B' ' 45' ' ' ARG . 0.0 OUTLIER -152.05 178.04 9.86 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.473 -175.908 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 11.5 t -78.34 162.41 26.5 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 173.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . 0.448 ' CG ' HD22 ' B' ' 37' ' ' LEU . 0.6 OUTLIER -66.93 -29.88 69.87 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.869 0.366 . . . . 0.0 110.654 -178.191 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -49.05 -31.45 7.78 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.982 176.14 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.462 ' HG3' ' CB ' ' B' ' 45' ' ' ARG . 46.8 mm-40 -59.33 -52.85 63.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.557 178.344 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.41 HG23 HD11 ' B' ' 17' ' ' LEU . 2.8 mp -53.69 -52.83 30.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.905 -177.631 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.432 HG22 HG22 ' B' ' 63' ' ' VAL . 3.6 mp -63.04 -43.21 98.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.215 -175.204 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -61.33 -46.59 89.62 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.879 -177.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' HIS . . . . . 0.43 ' HB2' ' CD2' ' B' ' 17' ' ' LEU . 76.2 m-70 -65.58 -36.89 85.07 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.611 -0.436 . . . . 0.0 111.606 -177.47 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . 0.463 HD11 HD13 ' B' ' 36' ' ' ILE . 80.3 mt -64.33 -45.94 85.65 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.084 0.468 . . . . 0.0 110.939 -176.452 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . 0.468 HG11 ' C ' ' B' ' 62' ' ' SER . 12.3 m -78.52 -23.62 13.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.308 0.575 . . . . 0.0 110.429 -178.761 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -78.36 -24.7 46.3 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.54 -0.754 . . . . 0.0 111.286 178.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 70.9 mtm -84.43 -2.09 56.64 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.955 0.407 . . . . 0.0 110.733 176.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 75.18 3.13 68.71 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 121.061 -0.59 . . . . 0.0 112.843 176.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.462 HD11 ' CD2' ' B' ' 54' ' ' LEU . 4.2 pp -85.94 -19.11 30.96 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.429 0.633 . . . . 0.0 110.008 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -116.3 170.4 8.56 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.518 173.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -83.25 -68.17 0.73 Allowed 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.726 -0.39 . . . . 0.0 111.695 -177.158 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . 0.468 ' C ' HG11 ' B' ' 55' ' ' VAL . 31.7 m -158.0 165.63 34.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.718 -173.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 63' ' ' VAL . . . . . 0.432 HG22 HG22 ' B' ' 51' ' ' ILE . 69.1 t -61.99 -27.02 41.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.049 175.24 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . 0.791 ' HA ' ' O ' ' B' ' 68' ' ' ARG . 46.9 mtmt -57.94 -31.71 67.11 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.88 -1.054 . . . . 0.0 112.002 -178.354 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -82.49 -26.32 32.68 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.11 0.481 . . . . 0.0 110.864 -177.069 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 66' ' ' PHE . . . . . 0.45 ' CD1' HG22 ' B' ' 33' ' ' VAL . 17.1 m-85 -92.18 -44.39 8.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.943 -176.352 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -116.56 -79.39 0.59 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.268 0.556 . . . . 0.0 112.333 -169.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 68' ' ' ARG . . . . . 0.791 ' O ' ' HA ' ' B' ' 64' ' ' LYS . 29.6 ttm180 -136.72 151.12 48.88 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.821 -171.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 63.9 pttt -72.0 -4.31 27.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.683 0.277 . . . . 0.0 111.21 -179.275 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -62.24 132.62 45.42 Favored Glycine 0 N--CA 1.448 -0.541 0 CA-C-N 116.027 -0.533 . . . . 0.0 112.16 178.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -85.24 132.45 34.27 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.124 0.488 . . . . 0.0 112.044 -178.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . 0.456 ' O ' ' HD2' ' B' ' 113' ' ' ARG . 26.4 p-80 -57.81 112.86 1.61 Allowed 'General case' 0 N--CA 1.445 -0.689 0 N-CA-C 107.813 -1.18 . . . . 0.0 107.813 167.747 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 1.6 mm -127.66 110.42 22.22 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.317 0 CA-C-O 122.474 1.13 . . . . 0.0 111.491 -178.105 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . 0.402 ' H ' HG12 ' B' ' 74' ' ' VAL . 0.2 OUTLIER -55.18 134.36 18.6 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.027 0 CA-C-N 113.193 -1.821 . . . . 0.0 108.378 165.156 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 46.7 tp -52.36 89.94 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 -168.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 76' ' ' TRP . . . . . 0.544 ' CH2' HD22 ' B' ' 84' ' ' LEU . 96.3 m95 -89.66 109.1 20.1 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.977 0.418 . . . . 0.0 110.629 178.582 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 77' ' ' THR . . . . . 0.417 ' O ' ' HG3' ' B' ' 81' ' ' GLU . 42.8 p -111.43 167.34 10.39 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 108.72 -0.845 . . . . 0.0 108.72 173.364 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -53.95 -32.73 49.38 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.551 -0.833 . . . . 0.0 111.566 176.215 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -65.75 -55.31 17.96 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.47 -0.365 . . . . 0.0 110.616 176.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -66.39 -35.42 80.27 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.421 -177.133 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 81' ' ' GLU . . . . . 0.417 ' HG3' ' O ' ' B' ' 77' ' ' THR . 55.1 mt-10 -61.63 -39.63 91.98 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 176.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.485 ' O ' ' HG3' ' B' ' 86' ' ' ARG . 30.7 tp -66.88 -43.52 83.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.499 176.569 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . 0.452 ' CD ' HH21 ' B' ' 86' ' ' ARG . 8.4 mm-40 -59.93 -41.58 92.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.717 179.529 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . 0.544 HD22 ' CH2' ' B' ' 76' ' ' TRP . 60.8 tp -63.05 -48.03 80.42 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 174.437 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . 0.446 ' O ' ' HG3' ' B' ' 89' ' ' GLU . 1.0 OUTLIER -54.07 -53.19 56.61 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.862 -179.102 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 86' ' ' ARG . . . . . 0.485 ' HG3' ' O ' ' B' ' 82' ' ' LEU . 40.2 mtm180 -61.05 -50.23 74.17 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.962 0.411 . . . . 0.0 111.451 -179.004 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . 0.413 HD11 HD22 ' B' ' 104' ' ' ASN . 7.7 tp -66.81 -39.44 87.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.04 -173.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.636 ' CE2' ' HB3' ' B' ' 123' ' ' LEU . 1.0 OUTLIER -56.55 -41.45 76.85 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.726 179.518 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.446 ' HG3' ' O ' ' B' ' 85' ' ' GLN . 33.1 mt-10 -69.24 -41.16 77.36 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.079 0.466 . . . . 0.0 110.388 178.446 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -65.83 -33.74 76.54 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.357 -0.838 . . . . 0.0 112.062 -172.011 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -112.75 17.06 19.37 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.952 -0.299 . . . . 0.0 111.059 -179.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 92' ' ' ARG . . . . . 0.609 ' HB2' ' O ' ' B' ' 88' ' ' PHE . 18.9 ttt180 -73.78 -16.34 61.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.697 0.76 . . . . 0.0 109.664 177.192 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -71.66 -1.41 13.64 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.794 -1.093 . . . . 0.0 110.59 174.008 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 19.2 m -103.85 157.35 17.14 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.03 178.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -79.01 -5.87 54.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.422 -177.695 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -147.98 79.42 1.46 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.089 0.471 . . . . 0.0 109.743 173.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 97' ' ' VAL . . . . . 0.558 ' O ' HG13 ' B' ' 101' ' ' ILE . 2.6 p -64.12 -34.66 70.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.387 -175.473 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . 0.517 HD12 HG13 ' B' ' 97' ' ' VAL . 7.3 mp -63.24 -33.25 75.09 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 121.052 -0.259 . . . . 0.0 111.362 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -69.0 -31.0 72.09 Favored Glycine 0 CA--C 1.509 -0.291 0 C-N-CA 120.707 -0.759 . . . . 0.0 111.571 176.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 35.2 m-70 -79.3 -30.17 42.79 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 177.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 101' ' ' ILE . . . . . 0.558 HG13 ' O ' ' B' ' 97' ' ' VAL . 71.8 mt -62.03 -61.19 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.393 174.565 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 58.4 mtt -52.35 -43.54 64.69 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -175.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -74.71 -25.21 58.98 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.353 -0.385 . . . . 0.0 112.01 -176.243 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 104' ' ' ASN . . . . . 0.413 HD22 HD11 ' B' ' 87' ' ' LEU . 64.8 t30 -104.02 -20.17 13.95 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -174.653 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 105' ' ' ILE . . . . . 0.446 HG22 ' O ' ' B' ' 101' ' ' ILE . 11.2 tp -91.24 158.58 2.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.45 0.643 . . . . 0.0 111.381 -175.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 106' ' ' THR . . . . . 0.446 ' N ' HG13 ' B' ' 105' ' ' ILE . 7.4 t -77.87 -16.46 58.25 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.839 -175.197 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -111.73 128.73 56.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.643 0.259 . . . . 0.0 111.31 -177.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.31 102.46 14.01 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 176.013 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 35.8 mtt180 -108.87 179.44 4.18 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.077 -176.108 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 4.3 m -99.32 152.2 20.2 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.266 179.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 10.1 mmt180 -58.48 -50.72 72.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.016 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -60.73 -30.5 70.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.187 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . 0.538 ' HA ' ' HE ' ' B' ' 113' ' ' ARG . 0.0 OUTLIER -74.25 -33.06 63.19 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.439 -178.862 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 78.4 mt -78.96 -44.35 24.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.232 179.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 115' ' ' VAL . . . . . 0.417 HG22 ' CD1' ' B' ' 130' ' ' LEU . 49.5 t -55.94 -54.02 31.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.889 176.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -58.04 -36.95 73.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.64 -178.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . 0.428 ' HE3' HD11 ' B' ' 121' ' ' LEU . 40.8 tptt -68.28 -39.71 82.03 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.045 -176.593 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . 0.437 HD12 HD22 ' B' ' 130' ' ' LEU . 20.5 mt -60.81 -50.23 74.29 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 120.94 0.4 . . . . 0.0 110.349 177.318 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -58.54 -35.4 72.25 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.8 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -74.25 -42.37 59.78 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.245 -177.063 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 121' ' ' LEU . . . . . 0.428 HD11 ' HE3' ' B' ' 117' ' ' LYS . 8.8 mp -70.98 -25.72 62.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.131 0.491 . . . . 0.0 111.093 176.553 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 82.68 33.4 24.84 Favored Glycine 0 N--CA 1.442 -0.911 0 C-N-CA 120.508 -0.853 . . . . 0.0 111.088 -173.199 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . 0.636 ' HB3' ' CE2' ' B' ' 88' ' ' PHE . 55.0 mt -80.03 -27.75 39.43 Favored 'General case' 0 CA--C 1.511 -0.544 0 N-CA-C 108.204 -1.035 . . . . 0.0 108.204 177.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 124' ' ' VAL . . . . . 0.441 HG21 ' CD2' ' B' ' 130' ' ' LEU . 35.8 m -136.57 165.5 28.48 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 113.43 -1.714 . . . . 0.0 108.372 172.213 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -105.99 -14.75 15.09 Favored 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 176.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 126' ' ' GLU . . . . . 0.425 ' O ' HD21 ' B' ' 130' ' ' LEU . 17.3 pt-20 -156.83 172.48 18.57 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.904 -176.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 127' ' ' ARG . . . . . 0.807 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 93.3 mtt180 -80.07 -20.33 45.43 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -176.09 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 128' ' ' ARG . . . . . . . . . . . . . 29.8 mtt180 -47.7 -49.39 28.05 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 121.133 0.492 . . . . 0.0 110.971 179.691 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -68.83 -12.52 61.62 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.348 -0.842 . . . . 0.0 112.824 -170.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 130' ' ' LEU . . . . . 0.807 ' HG ' ' O ' ' B' ' 127' ' ' ARG . 0.0 OUTLIER -88.89 -6.47 57.29 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.456 -177.745 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 131' ' ' TYR . . . . . . . . . . . . . 4.6 p90 -150.09 42.43 0.85 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.515 0.674 . . . . 0.0 110.607 174.386 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 31.6 tttt -133.61 119.49 19.49 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.138 176.306 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . 0.582 ' O ' ' HD2' ' B' ' 134' ' ' ARG . 25.5 pttm -108.25 74.83 0.95 Allowed 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 118.486 -1.286 . . . . 0.0 111.29 172.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 134' ' ' ARG . . . . . 0.582 ' HD2' ' O ' ' B' ' 133' ' ' LYS . 4.7 mpt_? -136.89 76.6 1.6 Allowed 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 106.481 -1.674 . . . . 0.0 106.481 164.636 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 83.7 mm-40 -101.89 108.57 20.08 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 114.782 -1.099 . . . . 0.0 111.625 -172.122 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -132.32 -170.67 2.47 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.724 -1.125 . . . . 0.0 108.491 177.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 137' ' ' LYS . . . . . 0.447 ' HE3' ' CA ' ' B' ' 138' ' ' LEU . 0.0 OUTLIER -70.4 103.47 2.44 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.296 0.569 . . . . 0.0 111.202 -179.25 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 138' ' ' LEU . . . . . 0.447 ' CA ' ' HE3' ' B' ' 137' ' ' LYS . 3.1 mm? -136.16 167.69 20.79 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 165.016 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . -65.67 168.47 7.6 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 173.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 1.5 p -59.48 115.37 3.24 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.198 0.523 . . . . 0.0 111.394 -179.016 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 141' ' ' SER . . . . . . . . . . . . . 32.3 m . . . . . 0 C--O 1.253 1.257 0 CA-C-O 117.586 -1.197 . . . . 0.0 108.5 179.39 . . . . . . . . 0 0 . 1 stop_ save_